Compound Name

SMILES String

CN1CCC(OC(C)=O)(C2CCCCC12)c1ccccc1

Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(cc2c1)C#N

CC1Cc2ccccc2N1C(=O)CSc1ncccc1C(O)=O

CCn1c(O)c(C=Nc2ccccc2)oc1=S |w:7.7|

Cn1nnc2cc(ccc12)C(=O)NC(C)(C)C

Cc1cc(C)n(n1)C(=O)c1ccncc1

CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2OCCOc2c1

COc1ccc(OC)c(c1)N(CC(=O)Nc1ccccc1)S(C)(=O)=O

CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1|

COc1cc(cc(OC)c1OC)C(=O)NC1CCN(Cc2nnnn2Cc2cccs2)CC1

c1nnc2c3ccccc3nc(-c3ccccc3)n12

CN(C(=O)C1CCOC1)c1nnc(s1)-c1ccncc1

CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1

Nc1ncnc2nc([nH]c12)N1CCN(CC1)C(=O)c1ccccc1

Cc1nc(Nc2ccc3OCCOc3c2)c2nnn(Cc3ccccc3Cl)c2n1

CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1

COC(=O)CCNc1ccc2OCCOc2c1

OC(=O)CSc1nc(nc2c3ccccc3oc12)-c1ccccc1

O=C(N1CCN(CC2CCC=CC2)CC1)c1ccccc1 |c:10|

CCOC(=O)CCCNS(=O)(=O)c1c(C)ccc2nsnc12

[H]C12CCCC([H])(CC(C1)NC(=O)C1CC1)N2C(=O)Nc1ccccc1C

COc1ccccc1\N=C1/SCCCN1C

Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCc1ccncc1

Cc1cccc(N2CCN(CC2)C(c2nnnn2CC2CCCO2)c2ccccc2)c1C

CC1C(NC(C(C)C1=O)c1ccco1)c1ccco1

OC(=O)CCN1Cc2ccccc2C1=O

Cn1c2ccc(NS(C)(=O)=O)cc2n(C)c1=O

OC(=O)CCSc1nnc(o1)-c1ccc2OCOc2c1

Cc1cnc(cn1)C(=O)Nc1ccccc1-n1cccc1

COc1cccc2c(C)c([nH]c12)C(O)=O

Cc1cccc2cc3c(N)c(sc3nc12)C#N

CCCn1c(nc2ccccc12)N1CCN(CC(=O)NCc2cccs2)CC1

O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCc2ccccc12

Cc1c(C)c2cc(C)ccc2n1CC(O)Cn1nnc2ccccc12

Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc2OCOc2c1

[H]C12CC(C)(NC(=O)C1C(=O)NCc1ccccc1)Oc1ccccc21 |THB:9:8:2:19.25.20,24:25:2:5.8.6|

OCc1cn(nn1)C1=C(Cl)C(=O)OC1NC(=O)c1ccccc1 |c:8|

Cc1ccc(Cn2c(Sc3ncccn3)nc3n(C)c(=O)[nH]c(=O)c23)cc1

CC(C)c1ccc(cc1)-c1nnn(CCC(O)=O)n1

CCCOc1ccc(cc1)N1CC(CC1=O)C(=O)NC(C)C

Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)-c1ccccc1

CC1CN(C)C(C)CC1n1[nH]c(=O)c2c(C)cc(=O)[nH]c12

CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12

COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1

CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12

Cc1cc(C)n(n1)C(=O)CNC(=O)Cc1ccccc1

CC1CCN(CC1)C(c1nnnn1CC1CCCO1)c1cc2cc(C)cc(C)c2[nH]c1=O

COc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1

COc1ccc(NC(=O)c2ccco2)cc1N

CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(OC)cc2)cc1

CCCC(C)NS(=O)(=O)c1ccccc1

O=S(=O)(N1CN2CCN(C2)C1)c1ccccc1

CC(=O)Nc1ccc(Cc2ccncc2)cc1

CCOC(=O)c1cc2occc2n1CC(=O)N1CCCc2ccccc12

[H]C12CC3([H])CC([H])(C1)CCC(C2)(C3)C(=O)N1CCOCC1 |TLB:5:3:12:6.8.10.9,14:11:2:6.8.5,THB:5:6:12:3.13.2,10:11:2:6.8.5,9:6:11.12.13:2|

[H]C12CCC([H])(CC(C1)NC(=O)Nc1ccccc1)N2

CC(C)OC(=O)Cn1c2ccccc2oc1=O

Cc1cccc(Nc2ncccc2C(O)=O)c1C

CCc1cc2c(NCCC(O)=O)nc(C)nc2s1

COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1

CCSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1

Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)c2ccc(F)cc2)o1

COc1ccc(OC)c(NC(=O)CSCC(O)=O)c1

CC(C)(C)n1nnnc1CN1CCC(CC1)NC(=O)NC1CCCCC1

CNC(=O)Cn1nc(C)c2ccccc2c1=O

Cc1ccc(o1)-c1nnn[nH]1

COc1cc2cc(CN(C3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1OC

O=[#6]1-[#8]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#8]-[#6](=O)\[#6]-1=[#6]/[#7]-c1nccs1

COc1ccc(NCc2nnc(SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)o2)cc1

CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1

CCOC(=O)C1C(C2=C(CC(C)(C)CC2=O)OC1=N)c1ccccc1OCC#N |t:7|

Clc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)N(Cc1cccs1)C1CC1

COc1ccc(C(=O)CC=Nc2cc(C)on2)c(OC)c1 |w:10.10|

O=C(NC1CCCCC1)C1CCN(CC1)c1nccs1

CCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C

CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3

CCCCOc1ccc(cc1)CC(=O)NO

c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2

OC(=O)c1cc2cc(F)ccc2[nH]1

C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC

Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1

COc1ccc(-c2n[nH]cc2-c2ccc3OCCOc3c2)c(O)c1

Nc1c2CCN(c2nc2ccccc12)c1ccccc1

COc1ccc2c(c1)sc1nc(cn21)-c1ccccc1

CCc1nnc(NC(=O)CSc2nc(C)c3CCCCc3c2C#N)s1

COc1ccc(O)c(c1)-c1c(C)[nH]nc1-c1ccc(Cl)cc1 |(9.24,-4.65,;9.24,-3.11,;7.91,-2.34,;6.57,-3.11,;5.24,-2.34,;5.24,-.8,;3.91,-.03,;6.57,-.03,;7.91,-.8,;6.57,1.51,;5.33,2.41,;3.86,1.94,;5.8,3.88,;7.34,3.88,;7.82,2.41,;9.28,1.94,;9.61,.43,;11.07,-.04,;12.21,.99,;13.68,.51,;11.89,2.49,;10.43,2.97,)|

COc1ccc(cc1)-n1nc2ccccc2n1

CCC(=O)Oc1oc(nc1\C=N\c1ccccc1OC)-c1ccccc1

O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1

O=C1NC(=O)C(=CNCCN2CCNCC2)C(=O)N1Cc1ccccc1 |w:6.6|

COc1cc(CN=O)ccc1OCc1ccc(cc1)C(O)=O

Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12

O=C1CCC(=O)N1CNc1ccccn1

Cc1ccc(cc1)C(=O)CC=Nc1ccccn1 |w:11.12|

CCOC(=O)CSC1=NC2=C(C(C1C#N)c1ccccc1C)C(=O)CCC2 |c:9,t:7|

O=C(CSc1nc2CCCCc2c(-c2ccco2)c1C#N)Nc1nccs1

Nn1c(n[nH]c1=S)-c1cccc(Br)c1

CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:12|

Nc1nc(SCc2ccncc2)c(C#N)c(-c2cccs2)c1C#N

Clc1cccc(c1)C(=O)OC1CN2CCC1CC2 |TLB:9:10:14.13:16.17|

CC(C)NC(=O)N(O)C1N(Cc2ccc3OCOc3c2)C(=S)SC1(C)C

Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc12

Brc1cnc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)c(Br)c1

CCCCCSc1nc(C)c(CC(O)=O)c(=O)[nH]1

Cc1ccc(c(C)c1)-n1ncc2c(NCc3ccc4OCOc4c3)ncnc12

CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c12

CCOC(=O)c1c(CN(C)C)n(C)c2ccc(OC(C)=O)cc12

Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccc(Cl)cc2)c2nncn12

O=C1OC(N2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12

Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1

OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

COc1cccc(c1)-c1nnc2SCC(=Nn12)C(C)(C)C |c:15|

CCC(C)[C@H](NC(=O)NCc1cccc(OC)c1)C(O)=O

CCOC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C

COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)cc1OC

O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccco1

N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1ccco1

[H][C@@]12CN(C[C@@]([H])(C1)c1cccc(=O)n1C2)C(=O)c1ccc(cc1)-c1nnc(OC)c2ccccc12 |TLB:9:8:7:3.2.4|

CCCOc1ccc(cc1)C(=O)C1C(N(CCN(C)C)C(=O)C1=O)c1ccc(O)c(OC)c1

CCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1-c1cccc(C)c1

Cc1nn(c2NC(=O)CSC(c12)c1ccc2OCOc2c1)-c1ccc(C)cc1

CCOC(=O)c1sc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c(C#N)c1C

Cn1c2cn(cc2c(=O)n(C)c1=O)-c1ccc2OCCOc2c1

CC1CCN(CC1)c1cc(C)nc2c(cnn12)-c1ccccc1

COc1cc2CCn3c(cc(Nc4ccc5OCCOc5c4)nc3=O)-c2cc1OC

CC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1

COCCOC(=O)Cc1nc(O)cs1

CCN1C(C)C2(Cc3c1nc1c(C)cccn1c3=O)C(=O)N(C)C(=O)N(C)C2=O

CN=C(SCc1cc2OCOc2cc1Cl)C1C(=O)N(C)C(=O)N(C)C1=O |w:1.0|

Cn1c2NC(=O)C(CC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O

O=C(Nc1ccc2n(cnc2c1)C1CCCCC1)c1ccco1

OC(=O)CC1SC(=O)N(Cc2ccccc2)C1=O

CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1

Cc1cc(nc(SCc2ccc(o2)C(O)=O)n1)C(F)(F)F

Cc1c(cnn1C)C(=O)c1n[o+]n([O-])c1C(=O)c1cnn(C)c1C

CCOC(=O)N1CCN(CC1)c1nc(C)c2C(=O)CCCc2n1

CN1CCN(CC(=O)n2c3CCCCc3c3ccccc23)CC1

COc1cccc(c1)N(C(=O)c1cccs1)c1nc2ccccc2s1

Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1

Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1

[#6]-[#6]-[#7]1-[#6](=S)-[#16]-[#6](=O)\[#6]-1=[#6]-1\[#6]=[#6](-[#6])-[#7](-[#6]-c2ccco2)-[#6](-[#6])=[#6]-1 |c:23,t:11|

COc1ccc(cc1OC)-c1csc(n1)C(C#N)C(=O)CSc1nccn1C

O=C(COC(=O)C1=COCCO1)Nc1ccc2OCOc2c1 |t:6|

[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)c1ccc(N)cc1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|

Cn1c(nc(c1-c1ccccc1)-c1ccccc1)N1CCOCC1

COC(=O)C1C(NC(=O)NC1=CN1CCCc2ccccc12)c1ccc(F)cc1 |w:11.12|

CCCOc1ccc(NC(N)=O)cc1OCCC

CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)N(C)C

O(c1nnnn1-c1ccccc1)c1ccc(cc1)-c1nnco1

C(Sc1nnc2ccccn12)c1ccc2OCOc2c1

Cn1c(nc2ccccc12)C(C#N)C(=O)c1sc2ccccc2c1Cl

COc1ccc(OCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1

COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1

O=C(NC1=NCCS1)C1COc2ccccc2O1 |t:3|

C1CNC(C1)c1ccc2OCCCOc2c1

CCN(CC)S(=O)(=O)c1cccc(c1)-c1nnc(SCC(N)=O)n1CCc1ccccc1

CC1C=Cc2ccccc2N1C(=O)c1ccccc1 |c:2|

Brc1ccc2nc(COC(=O)C3COc4ccccc4O3)cc(=O)n2c1

CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(nc2ccccc12)-c1ccco1

COc1cc(CCC(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC

CCN1CCN(CC1)C=Nc1nc2CCCCc2s1 |w:9.10|

Cc1ccc(NC(=O)NC2=N\C(=C(\C#N)C(=O)N3CCCC3)c3ccccc23)cc1 |t:9|

CP(=O)(Nc1ccccc1F)Oc1ccccc1

CCn1c(nc2ccccc12)C(C#N)=C(NS(=O)(=O)c1cccs1)c1ccccc1 |w:11.12|

CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12

CC1CN(CC(C)O1)C(=O)COC(=O)c1oc2ccc(Br)cc2c1C

CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CC(=O)Nc2c(CC)cccc2CC)c1=O

c1csc(c1)-c1nnsc1-c1nc2ccccc2[nH]1

CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1

Cc1[nH]n(CCC#N)c(=O)c1CC(=O)N1CCN(CC1)c1ccccc1

C(C#Cc1ccccc1)N1CCN(CC1)c1ccccn1

Fc1ccc2c(Cl)c(sc2c1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1

CC(O)c1nc2ccccc2n1Cc1nnc(o1)-c1ccc(Cl)cc1

CCC(C)n1c(SC(C)C#N)nc2ccccc2c1=O

Cc1onc(c1C(=O)Nc1sc2CCCc2c1C(N)=O)-c1ccccc1

O=C(CCCOc1ccccc1)Nc1nccs1

Cc1noc(C)c1CSc1ncnc2sc3CCCc3c12

COc1ccccc1CN(C)C(=O)C1COc2ccccc2O1

N=C1C(CC(=O)N1c1ccc(Oc2ccccc2)cc1)C#N

Cc1noc(NS(=O)(=O)c2ccc(cc2)N2Cc3ccccc3C2=O)c1C

O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccnc1

CCC1=CC(=CNC2CCCCC2)C(=O)S1 |w:5.5,t:2|

CC1CCCCN1CCNC(=O)CCn1nc(ccc1=O)-c1ccc(C)cc1

OC(=O)CCC1(OCCc2ccccc12)C(O)=O

CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(C(C)C)C(=O)NCc1ccc(C)cc1

O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCc1cccs1

COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccccc2c1=O

COc1ccc(cc1OC)-c1nc2N=C3CCCC(=O)C3C(c3ccccc3)n2n1 |t:14|

C1CN(CCO1)c1ccc(C=Nn2cncn2)cc1

O=C(NCc1ccc2OCOc2c1)c1cc2CS(=O)(=O)Cc2s1

Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2OCOc2c1

CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

OC(=O)c1ccn(Cn2cnc3ccccc23)n1

Cc1cccc(CN2CCNC2=O)c1

Cn1c2ccccc2c(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)cc1=O

CC(C)(C)n1ncc2c1ncn(CC(=O)OCc1ccccc1)c2=O

CCCS(=O)(=O)N1CCCC(C1)C(=O)N1CCC(Cc2ccccc2)CC1

CCN(c1ccccc1)S(=O)(=O)c1c[nH]cn1

COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1

Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)S(C)(=O)=O

Oc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(F)(F)F

[H]C12OC3(CN(CC(=O)OCC)C(=O)C3C1C(=O)NC1CCCCC1)C=C2 |c:28|

Fc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1 |t:13|

OC(COc1c(F)cc(Br)cc1F)CN1CCN(CC1)c1ccc(F)cc1

CCC(C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1

O=C(Nc1cccnc1)c1coc(=O)c2ccccc12

Cn1c(C(O)=O)c(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc12

COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C(=O)CC(C)C

COc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1

CC1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O

Cc1ccc2OCC(=O)N(CC(O)=O)c2c1

COC(=O)C1CCN(CC1)C(=O)c1sc2nc(cn2c1C)-c1ccccc1

Fc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1

O=S(=O)(Nc1ccc2OCCOc2c1)c1cccc2nsnc12

COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC

Cn1cc(CN2CCc3ccccc3C2)c2ccccc12

CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)COc2c1

CCOC(=O)N1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1

CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)N1CCC2(CC1)OCCO2

COc1ccc(Br)cc1CNC(=O)CCN1C(=O)COc2ccccc12

CCOc1ccc(NC(=O)c2cccnc2C(O)=O)cc1

O=C(CCCCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)C(=O)c1ccco1

COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1

C1CCN(CC1)c1nc2cc3OCCOc3cc2s1

Cc1ccc(NC(=O)NCC(N2CCOCC2)c2cccnc2)cc1

CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1csc(C)n1

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc1ccccc1C

CCCCn1c(nc2ccccc12)N(CCOC(C)=O)C(C)=O

COc1cccc(c1)-n1nnc2c1ncn(Cc1ccccc1Cl)c2=O

CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1

CCCCOC(=O)CSCC(=O)Nc1cc(C)on1

CC1CCCN(C1)S(=O)(=O)c1ccc(Br)s1

Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12

CC1(C)CC(=O)c2cc(OCC(=O)N3CCN(CC3)c3ccccc3F)ccc2O1

CN(C)C(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl

Oc1ccc(CN2CCCc3ccccc23)c2cccnc12

O=C(COC(=O)c1cccs1)c1ccc2OCCOc2c1

O=C(NCCCN1CCCC1=O)c1cccc(c1)N1CCCC1=O

Nc1scc(c1C#N)-c1ccc2OCOc2c1

CCCC1N(CCn2c(C)ccc12)C(=O)Nc1ccc(F)cc1

CCc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2cccnc2)c(C)o1

Clc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCCc4ccccc24)c3=O)cc1

CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1ccccc1OC

CC1(C)CC(=O)C(CCC(=O)c2ccccc2)C(C)(C)N1

COc1ccc(cc1OC)C(=O)NCc1nnc(SCC(=O)N2CCC(C)CC2)o1

CC(C)C(=O)N1C(C2C(=O)CCCC2=Nc2ccccc12)c1ccc(cc1)N(C)C |c:14|

O=C(Nc1cccnc1)c1noc2CCCCCc12

CC(C)N1C(C(=O)N(CC1=O)C1CCCCCC1)c1ccccc1F

CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC

Nc1nonc1-c1noc(n1)-c1ccccc1Br

COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1

CCOC(=O)c1ccc2ncc(C(C)=O)c(O)c2c1

Fc1ccccc1N1CCN(CC1)C(=O)c1c(F)cccc1F

Cc1nc2ccc(NC(=O)N3CCSCC3)cc2s1

Cc1[nH]n2c(nc(C)c(Cl)c2=O)c1-c1ccccc1

OCc1nn2C(CC(Nc2c1Br)c1ccccc1)C(F)(F)F

COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1 |c:4|

CCc1c(C)nc2ccc(C)cc2c1O

CCCOc1ccc(Cn2c3cc(C)ccc3oc2=O)cc1OC

N=C1Oc2[nH]nc(CSc3ccccc3)c2C2(C1C#N)C(=O)Nc1ccccc21

CCOc1ccc(OCc2cccc(c2)C(O)=O)cc1

C(Cn1cncn1)Oc1cccc(Oc2ccccc2)c1

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)cc2)c1C

CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1

Cc1ccc(cc1)S(=O)(=O)NC(C)(C)CSc1nncn1N

O=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1

COc1cc(SC)ccc1C(=O)NCC1CCCO1

COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(N)=O

CC1Cc2cc(ccc2O1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1ccco1

COCc1n[nH]c2OC(=N)C(C#N)C3(CCSCC3)c12

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCC1

Nc1nc2CCCn2c1C(=O)c1ccccc1

C=CCN(CC=C)C(=O)CCC(=O)N(CC=C)CC=C

C(Sc1nnc(o1)-c1cccnc1)c1nc2ccccc2[nH]1

CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1

Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)n1

Fc1cccc(F)c1C(=O)Nc1ccncc1

CCCc1nc(-c2ccccc2O)n(n1)-c1ccccc1

CC(C)OCCCn1c(C)c(C(C)=O)c2cc(O)ccc12

O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12 |t:3|

O=C(N1CCC2(CC1)OCCO2)c1ccc2OCOc2c1

S=c1[nH]nc(-c2ccncc2)n1Cc1ccco1

COc1ccc(cc1)-n1ncc2c(NCCCN3CCOCC3)ncnc12

OC(=O)C1CCCCC1C(=O)Nc1cccc(c1)C(=O)N1CCCCC1

CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CC(C)OC(C)C1

Oc1ccc(O)n1-c1ccccc1OC(=O)Cc1ccccc1 |(15.13,1.55,;13.66,2.03,;13.19,3.49,;11.65,3.49,;11.17,2.03,;9.71,1.55,;12.42,1.13,;12.42,-.41,;13.75,-1.18,;13.75,-2.72,;12.42,-3.49,;11.08,-2.72,;11.08,-1.18,;9.75,-.41,;8.41,-1.18,;8.41,-2.72,;7.08,-.41,;5.75,-1.18,;5.75,-2.72,;4.41,-3.49,;3.08,-2.72,;3.08,-1.18,;4.41,-.41,)|

S=C(N1CCOCC1)c1ccc(cc1)N1CCOCC1

O=C(CC1CCCCC1)NCc1ccccn1

CCOC(=O)C1CCN(CC1)C(=O)COc1cc(C)c(Br)cc1C

Cc1cc(C)n(n1)C(CC(O)=O)C(O)=O

Nc1nc(CSc2ncn(n2)-c2ccccc2)cs1

[H]C12CC([H])(C(CNC(C)=O)=C1NC(C)=O)C(C)(C)C2C |c:10,TLB:12:11:16.19:2,20:19:2:5.11,THB:6:5:16.19:2|

O=S(=O)(Nc1ccc2OCCOc2c1)c1cccs1

CN(CC(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1

OC(=O)c1ccc(cc1C(O)=O)C(=O)c1ccc(O)cc1

CCOc1cc(C)c(cc1C)S(=O)(=O)NC1CCCCC1

O=C(C1CCCO1)N1CCC2(CC1)OCCO2

O=C(Nc1ccccc1)N1CCC(CCN2CCCC2=O)CC1

C(c1nnc2sc(nn12)-c1cccs1)c1ccccc1

Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1

COc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1OC

Cc1ccc(o1)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cc1 |c:17,20|

Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)-n2cccc2)n1

COC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1

COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1

Cn1c2cn(Cc3ccc(Cl)cc3)cc2c(=O)n(C)c1=O

CCCC(C)n1[nH]c(=O)c2C(SCC(=O)Nc12)c1ccc(OC)c(OC)c1

Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O

O=S(=O)(N1CCCCC1)n1nnc2ccccc12

Nn1c2nnc(SCc3ccccc3)n2c2ccccc2c1=O

OCc1ccc(OCc2cccc(c2)C(O)=O)c(Cl)c1

CCOc1ccc(cc1Cl)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1cccs1

COc1ccc(CC(=O)Nc2cc(C)on2)cc1

Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N1CCCCC1

CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1

CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1

C(Oc1cccc(CN2CCN(CC2)c2ccccn2)c1)c1ccccc1

COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC

CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1

Oc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)Oc2ccccc2)cc1

Cc1oc(cc1C(O)=O)-c1ccc2OCCOc2c1

CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2OCOc2c1

OC(=O)c1cccc(COc2ccccc2Cl)c1

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

Cc1ccc(SCCCn2cncn2)cc1

COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1

COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2)n1C

CCOC(=O)C1CCN(CC1)C(=O)CC(C)c1ccccc1

COc1ccc(cc1)-c1noc(CCC(=O)Nc2ccc(C)c(C)c2)n1

CCOC(=O)c1ccc(NC(=O)N2CCN(CC2)S(C)(=O)=O)cc1

COc1nc(ccc1-c1noc(COc2ccccc2)n1)-c1ccccc1

COc1ccc(cc1NC(=O)c1cccnc1)-c1nc2cc(ccc2o1)C(C)C

COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)S(C)(=O)=O

COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC

COC(=O)Nc1sccc1C(=O)Nc1sccc1C(=O)OC

CCOC(=O)c1ccc(cc1)-n1[nH]c(cc1=O)-c1ccccc1

Cc1ccc(cc1)-c1cc(no1)C(=O)NCCCN1CCOCC1

c1cc2c(cc1NCc3ccncc3)OCCO2

Cn1c2n(CC(=O)Nc3ccc4CCc5cccc3c45)cnc2c(=O)n(C)c1=O

Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1

CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl

Cc1occc1C(=O)Nc1cc(ccc1Cl)C(F)(F)F

OC(=O)CCSc1nc2ccccc2s1

CC(=O)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)cc1

CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1

Fc1ccccc1CSC1=NCCN1C(=O)c1ccco1 |t:10|

CC1=CCc2c(C1)c(O)n(c2O)-c1ccc(C)c(Br)c1 |t:1|

COc1ccc(cc1)-n1c(O)cc(c1O)-c1ccc(OC(C)C)cc1

COc1cc2C(C3N(CCc4ccccc34)C(=O)c2cc1OC)C(=O)NC1CC1

[H]C12OC3(CN(C(C)c4ccc(OC)cc4)C(=O)C3C1C(O)=O)C=C2 |c:26|

CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O

COc1cccc(c1)C1CC(c2ccccc2)n2ncnc2N1

O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N1CCCC1 |(8.18,-6.03,;6.85,-5.26,;6.85,-3.72,;5.52,-2.95,;5.52,-1.41,;6.85,-.64,;6.85,.9,;8.18,1.67,;8.18,3.21,;6.64,3.21,;9.72,3.21,;8.18,4.75,;6.85,5.52,;6.85,7.06,;8.18,7.83,;9.52,7.06,;10.9,7.88,;12.29,7.09,;12.29,5.49,;10.9,4.7,;9.52,5.52,;8.18,-1.41,;8.18,-2.95,;5.52,-6.03,;5.36,-7.56,;3.85,-7.88,;3.08,-6.55,;4.11,-5.4,)|

COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12

CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1

COCCN1Cc2cccc(C(=O)Nc3ccc4OCCOc4c3)c2C1=O

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

CC(C)CNC(=O)c1noc2CCCCc12

CCOc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2cccc(OC)c2)c(C)o1

Clc1ccc(cc1)-c1ccc(=O)n(CC(=O)NCC2CCCO2)n1

Clc1ccc(nc1)N1C(Nc2ccc3OCCOc3c2)c2ccccc2C1=O

Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1C

CCC(=O)N1C(CSC1c1ccc(OC)cc1)C(=O)N1CCCC1

CCOc1ccc(cc1OC)C1N2CCCC2C(=O)N1c1ccc(F)cc1

Fc1ccc(Cc2nnc(o2)-c2cccs2)cc1

COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1

Cc1ccc(nc1)N1C(Nc2ccccc2F)c2ccccc2C1=O

CCOC(=O)N1CCC(CC1)NC(=O)CN1C(=O)CSc2nc(C)cc(C)c12

OC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Nc1ccc2OCCOc2c1

CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1

Fc1cccc(c1)C(=O)NC(=O)OC[C@@H]1CCCN2CCCC[C@H]12

CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1

Cc1cc(=O)oc2cc(OCC#N)ccc12

CC(C)CCNC(=O)Cn1cc2CCCCCc2n1

COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1OC

CC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2OCCOc2c1

CCOC(=O)Cn1c(CCC(O)=O)ccc1-c1ccc(F)cc1

CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1

Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O

CCN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2sccc2n1CC

Fc1ccc(CNC(=O)CN2CC(CC2=O)c2ccccc2)cc1

CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1

COc1ccc(cc1OC)C(=O)N1CCN=C1SCc1cccnc1 |c:16|

Cn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc12

[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)Nc2nncs2)cc1 |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|

O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CN(C2CCCC2)C(=O)C1

O=C1N(C(Nc2ccc3OCCOc3c2)c2ccccc12)c1ccccn1

Cc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1

CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(n1)n(C)c(=O)n(C)c2=O

Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12

C1CC(=CCN1c1ncnc2nc[nH]c12)c1ccccc1 |c:2|

CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1

CC(C)C(=O)NCCn1c(C)cc2ccccc12

CCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1CC(C)=C

CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2c(n1)n(C)c(=O)n(C)c2=O

CCOC(=O)Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)[nH]c(=O)c12

CC(=O)Nc1ccc2n(CC=C)c(=NC(=O)C3CC3)sc2c1 |w:13.13|

Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)NCc1ccc2OCOc2c1

CCCCSC1=C(C#N)C(CC(=O)N1)c1ccccc1C |c:5|

Fc1ccccc1N1CC(CC1=O)c1nc2ccccc2[nH]1

CN(Cc1ccccc1)C(=O)CCn1c2ccccc2oc1=O

Cn1c2nc(nc(SCC(=O)N3CCCc4ccccc34)c2c(=O)n(C)c1=O)C1CC1

CCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1

COc1cccc(c1)C(N1CCN(CC1)C(=O)c1ccco1)c1sc2nc(C)nn2c1O

CC1CC(C)CN(C1)C(c1sc2ncnn2c1O)c1ccc(C)cc1

CCCCn1c(nc2ccccc12)C(C)NC(=O)CC

CC1CCN(CC1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(Cl)cc1

FC(F)(F)C1(NC(=O)Nc2ccc3OCCOc3c2)Oc2ccccc2O1

NC(=O)c1ccsc1NC(=O)C1CCCCC1

COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NC1CCCCCC1

COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1

CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC=C

COc1ccc(CNc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc2ccccc2C)cc1

Nn1c(SCc2ccccc2)nnc1-c1ccco1

CCOC(=O)N1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)CC1

C1CN(CCO1)c1ncnc2scc(C3COc4ccccc4O3)c12

CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12

Cc1onc(c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)-c1ccccc1Cl

OC(=O)CC(Cc1ccc(Br)cc1)C(O)=O

C1CCC(CC1)Nc1nnnn1C1CCCCC1

Fc1ccc(cc1)S(=O)(=O)NCc1ccccn1

CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1

COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O

O=C(CNC(=O)C1CCCCC1)NC1=NCCS1 |t:14|

COc1ccc(Br)cc1CN1CCN(CCO)CC1

COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O

Fc1ccccc1-c1nnn(CCC#N)n1

COCCCn1c(nc2ccccc2c1=O)-c1ccco1

Clc1ccc(Cl)c(c1)C(=O)N1CCOCC1

C(CSc1nc2ccccc2o1)Oc1ccccc1

O=C(Nc1ccccc1)OCCOc1ccccc1

c1c(nc2sc(nn12)-c1ccccc1)-c1ccccc1

CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1

CSC1=N\C(=C/C=C/c2cccs2)C(=O)S1 |t:2|

O=C(CC=Nc1ccc2OCOc2c1)c1ccccn1 |w:4.4|

Cc1ccc(N=Cc2ccc[nH]2)c(O)c1 |w:5.4|

Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12

CCOC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

COc1ccc(cc1)C(=O)Oc1ccc(CN=O)cc1

c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1

Cc1nn(-c2ccc(C)cc2)c2sc(cc12)C(O)=O

Cc1ccc(cc1)N1CN=c2sc(=Cc3ccccn3)c(=O)n2C1 |t:10|

CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2cccnc2)C(=O)C1

CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12

[H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc2OCCOc2c1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

O=C(CSc1ncccn1)NCCc1ccccc1

[H]C12CC(C)(CN1C(=O)CCCN1C(=O)c3ccccc3C1=O)CC(C)(C)C2 |TLB:7:6:2:24.23.27|

COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1

COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC

COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(O)=O

Fc1ccc(NC(=O)CSc2nnc(COc3ccc4CCCCc4c3)o2)cc1

CCOC(=O)c1ccc(NC(=O)C2[C@@H]3O[C@@H](C=C3)C2C(O)=O)cc1 |c:16|

CCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C(C)C)C(=O)NC1=NCCS1 |t:26,TLB:5:3:11:6.9.8,8:6:12:1.11.2,THB:5:6:11:3.12.2|

CCn1c(n[nH]c1=S)-c1ccc2[nH]c(C)c(C)c2c1

Cc1cc(OCC(=O)NCCO)cc(C)c1Cl

CCC(C)c1ccc(NC(=O)C2CC2)cc1

CC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C |THB:18:17:20:13.14|

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccccc1 |c:6|

CC(NCCc1ccccc1)=C1C(=O)CSC1=O |w:1.0|

CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O

COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCC1CCCO1 |t:14|

OC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

Cc1nc2ccccc2n1-c1ccccc1C |(9.64,-2.05,;8.1,-2.05,;7.2,-3.28,;5.75,-2.82,;4.41,-3.59,;3.08,-2.82,;3.08,-1.28,;4.41,-.51,;5.75,-1.28,;7.2,-.81,;7.68,.66,;6.65,1.8,;7.13,3.27,;8.64,3.59,;9.67,2.44,;9.19,.98,;10.22,-.17,)|

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I

S=C1NCCN1

C(CC(=O)O)CN

C1CC(=O)N(C1)CC(=O)N

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

CN1CCCN=C1\C=C\c1sccc1C |c:5|

CN1c2ccccc2Sc2ccc(cc12)C(C)=O

COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC

Fc1cc(F)cc(c1)-c1oncc1-c1nnnn1-c1ccccc1

Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1N

CC(NC(=O)c1cccs1)c1nnc(SCC(=O)NCCc2ccccc2)n1CC=C

CCCNC(=O)c1cccc(COCC(F)(F)F)c1

COc1ccccc1-c1nnc(SC2CCc3ccccc3NC2=O)s1

O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1

Cc1cc(\C=C2/NC(=O)NC2=O)c(C)n1-c1c(C)cccc1C |(3.08,-1.48,;4.54,-1,;5.02,.46,;6.56,.46,;7.47,1.71,;6.84,3.12,;5.33,3.44,;5.17,4.97,;3.84,5.74,;6.58,5.59,;7.61,4.45,;9.14,4.61,;7.04,-1,;8.5,-1.48,;5.79,-1.91,;5.79,-3.45,;4.46,-4.22,;3.12,-3.45,;4.46,-5.76,;5.79,-6.53,;7.12,-5.76,;7.12,-4.22,;8.46,-3.45,)|

CC(C)(C)c1ccc(OC(=O)c2cccnc2)cc1

O=C(CSc1ncccn1)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1

C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 |c:9|

CCN(CC)C(=O)c1ccc(cc1)-c1ccccc1

CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CN(CC)CC)ccc12

CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1

COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1

Oc1cc(N2CCCCC2)c(O)n1-c1ccccc1

COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccc(cc1)N(C)C

O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1

O[N+]1=C(C(=C)N([O-])C2=C1CCC2)c1ccccc1 |c:7,t:1|

CC(CN1CCOCC1)OC(=O)C(c1ccccc1)c1ccccc1

CCC(C)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)C(F)(F)F

CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1

Cc1ccnc(n1)N1CCCC(C1)C(=O)NCc1cccs1

Fc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1cccnc1

O=C(NC1CCCC1)C(OC(=O)C1=Cc2ccccc2OC1)c1ccncc1 |t:13|

CC(C)CCNC(=O)C1CCCN1C(=O)NC1CCCCC1

CNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1C

COC(=O)C1(Cc2ccccc2)NC(c2c(O)n(c(O)c12)-c1ccc2OCOc2c1)c1ccccc1C

Clc1ncccc1C(=O)Nc1ccccc1N1CCCC1

CC(C)(C)c1ccc(o1)C(=O)Nc1ccc(CC(O)=O)cc1

OC(=O)CSCC(=O)Nc1ccc(cc1)C1CCCCC1

Cc1ccc(C)n1NC(=O)c1ccccc1O

Cc1ccc(cc1)N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O

CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4OCCOc4c3)cc12

CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1

CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N(C)C

COc1ccc(Cn2nnnc2C(N2CCC(CC2)C(N)=O)c2ccccc2Cl)cc1

CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1

CC(C)(C)c1nc(N2CCN(CC2)C(=O)c2ccco2)c2nnn(Cc3ccccc3)c2n1

CCN(CC)c1ncnc2ccc(Br)cc12

CC1(C)CC(CCO1)NCc1ccc2OCOc2c1

COc1ccc(C=Nc2c(nc3SCCn23)-c2ccc(OC)cc2)cc1

O=C(CCCc1ccccc1)c1ccc2OCCOc2c1

Cc1ccc(cc1)-c1nnn(CC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)n1

C1CCC2(CC1)Cc1ccccc1-c1nnnn21

Cc1cccc(N2C(=O)CSC2=NNC(=O)c2ccc(Br)cc2)c1C

COc1ccc(cc1)-n1c(C)c(C(C)=O)c(C(C)=O)c1C

COc1ccc(cc1)-n1c(SCC(=O)NCc2ccco2)ncc1-c1ccc(F)cc1

O=C(CSc1nc2CCCCCc2cc1C#N)N1CCOCC1

NC(=O)C(=C/c1ccc(Br)o1)\C#N

O=C(Cc1ccccc1)Nc1nc2ccccc2s1

Cc1cc(NC(=O)C2C3C(=O)N(Cc4ccc(Cl)cc4)C(C(=O)NC(C)(C)C)C33OC2(C)C=C3)no1 |c:35|

CC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc23)cc1

C1CN(CCO1)c1ccc(cc1)-n1cccc1

CCOC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1

Cc1ccccc1NC(=O)c1ccc2OCCOc2c1

S=c1[nH]nc(-c2cnccn2)n1-c1ccccc1

CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12

Nc1ccc2nc([nH]c2c1)-c1ccccn1

CN1CCC(CC1)OC(=O)COc1cccc(C)c1

CCc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1

CC(=O)C1C(N(C(=O)C1=O)c1ccc(C)cc1)c1ccccn1

COc1ccc(Cn2nnnc2CN2CCc3ccccc3C2)cc1

Clc1ccc(OCC(=O)N2CCCC2)cc1

COc1ccc(OCc2cccc(c2)C(=O)Nn2cc(cn2)[N+]([O-])=O)cc1

CC(C)(C)C1CCc2c(C1)sc(NC(=O)CSc1nnc[nH]1)c2C#N

CCCCN1C(=O)C(CC(=O)NCC)S\C1=N/c1ccccc1

COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21

CS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1

Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|

COC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:16|

Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)cc(C)c2c1N

CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC

Cc1ccc2c(N)c(sc2n1)C(=O)N(c1ccccc1)c1ccccc1

COc1ccccc1CNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1

COc1ccc(CNC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)c2ccc(C)cc2)cc1

CCOC(=O)c1cnn(c1-n1cccc1)-c1ccccc1

Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F

CCCCn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C

CC(N1CCOC1=O)S(=O)(=O)c1ccccc1

COc1cc(N)ccc1C(O)=O

Cn1c(n[nH]c1=S)-c1sc2cc(cnc2c1-c1cccnc1)C(F)(F)F

CS(=O)(=O)N1CCN(CC1)c1cccc(Cl)n1

Cc1cc(C)nc(c1)-n1c(C)nc2cc(Cl)ccc2c1=O

CN(C)C(=S)Oc1c(C)cc(cc1C)C(=O)CSc1ccc(F)cc1

Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccncc1

CCC(=O)N(CCC(c1ccco1)c1ccccc1OC)Cc1cccs1

Cn1c2ccccc2n(CC(O)c2ccccc2)c1=N

[#6]-[#8]-c1ccc(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#8]-[#6])c1

CCn1c2nncn2c2sc3CCCc3c2c1=O

COc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1

CCC(=O)Nc1cc(ccc1N1CCOCC1)-c1nn(CC(=O)N2CCCCC2)c(=O)c2ccccc12

CC1CCN(CC1)c1nc2ccc(cc2s1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

COC(=O)c1cn(NC(=O)CCC2CCCC2)c(=O)c2ccccc12

COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3NC(=O)CCc3c2)c(OC)c1

CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12

COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O |w:7.6,5.4|

Fc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1F

Cc1ccc(cc1)C1N2CCCN2C(=S)N1c1ccccc1

CSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1

CCOc1cc(NC(=O)c2cccnc2Cl)c(cc1OCC)C#N

COc1ccc(NC(=O)C(NC(=O)CNC(C)=O)c2ccc(C)cc2)cc1

Cc1ccc(cc1)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O

COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 |t:13|

COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1

CN(C)S(=O)(=O)c1ccc(s1)-c1csnn1

Cc1cc(C)nc(NC(=O)COc2cc(Cl)cc(Cl)c2)n1

O=C(N1CCN(CC1)c1ccccc1)c1cc2COc3ccccc3-c2s1

COc1ccc(cc1)-c1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cs1

Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCc2ccccc12 |(11.65,2.02,;10.63,3.17,;11.1,4.63,;10.08,5.78,;8.57,5.46,;8.09,4,;9.12,2.85,;8.64,1.39,;7.13,1.07,;6.1,2.22,;6.65,-.39,;7.68,-1.54,;9.19,-1.22,;9.67,.24,;11.18,.56,;7.2,-3,;8.1,-4.24,;7.2,-5.48,;5.75,-5.01,;4.41,-5.78,;3.08,-5.01,;3.08,-3.47,;4.41,-2.7,;5.75,-3.47,)|

CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:13.12|

CCC(NC(=S)NCc1ccccc1)C(O)=O

COC(=O)c1cn[nH]c1NC(=S)Nc1ccc(Cl)c(Cl)c1

Cc1cc(=O)n2nc(sc2n1)-c1ccc(cc1)C(F)(F)F

COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)o1

Oc1cc(N2CCC(=CC2)c2ccc(F)cc2)c(O)n1-c1ccc(F)cc1 |c:7|

COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F

Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21

COCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12

CN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cccnc3Cl)ccc2n1

CC(C(=O)NCCCc1ccccc1)n1nc(C)n2c3ccoc3cc2c1=O

Cn1c2ccccc2c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c12

Cc1ccc(o1)-c1nc2cnccn2c1Nc1c(C)cccc1C

CCCCOc1ccc(cc1)C1N(CC2CCCO2)C(=O)CN(C2CCCCC2)C1=O

COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1

OC(COc1ccc2ccccc2c1Br)Cn1cnc(c1)-c1ccccc1

Cc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1

C(c1nc2ccccc2o1)c1ccccc1

CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1

COc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1

OCCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl

Fc1ccc(CNC(=O)CCc2nc(no2)-c2cccs2)c(Cl)c1

CCCCn1c(N)nc2ccccc12

CC(=O)c1ccc(NC(=O)c2cnn3ccccc23)cc1

Cc1c(NC(=O)C2CC(=NO2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C |c:8|

NC(=O)c1sc2nc3CCCCCc3c(-c3cccs3)c2c1N

COc1cccc2cc(C(=O)NCc3ccco3)\c(=N\c3ccc(cc3)C(O)=O)oc12

CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1

Cc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1

CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1

CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c1ccccc1)c1ccc(F)cc1 |c:6|

CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(C)C

CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1

COC(=O)c1cc2ccsc2n1Cc1nc(oc1C)-c1ccc(Cl)cc1

Fc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccnc2)cc1Cl

CC(C)c1ccc(NC(=O)Nc2cc3sccc3n2C)cc1

COc1ccc(cc1)N1CCN(CCCn2c(=S)[nH]c3ncccc3c2=O)CC1

CCCCn1c(SCC(=O)NCc2ccco2)nc2c3ccccc3sc2c1=O

CCN1CCN(CCNC(=O)CCCCCn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)OC)CC1

Cc1cc(nc2cc(O)ccc12)N1CCN(CC1)c1ccc(F)cc1

O=C(CN1CCCCC1)Nc1cccc2OCOc12

Cc1oc(cc1COc1ccc2c3CCCc3c(=O)oc2c1C)C(O)=O

OC(=O)CSc1ccccc1C(O)=O

CCOc1cc(OCC)cc(c1)C(O)=O

CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O

Cc1nnc(s1)N1C(=O)c2cccc3cccc(C1=O)c23

CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|

Brc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|

O=C(c1cccs1)n1nc(nc1SCc1ccccc1)-c1ccco1

CC(C)c1nnc(NC(=O)C(C)Sc2nc3ccccc3s2)s1

CCOC(=O)c1c(C)nc2c(C)cccn12

Fc1ccc(CON=CC2=C(Cl)c3ccccc3CC2)cc1 |c:9|

CCCC(=O)c1c(NCC=C)cc(C)oc1=O

CCOC(=O)c1ccc(Oc2nc(NC)nc(Nc3ccccc3)n2)cc1

CCN(c1ccc(OC)cc1)c1ncnc2nc[nH]c12

Cc1ccc(cc1)C(=O)NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc12

CC(N=O)C(NO)c1cccs1

Cc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(Cc2ccccc2)CC1

Cc1cc(cc(C)c1NC(=O)CN1CCOCC1)C1(CCCCC1)c1cc(C)c(NC(=O)CN2CCOCC2)c(C)c1

Cc1nccn1Cc1cccc2ccccc12

CCOC(=O)n1c(SCC(N)=O)nc2ccccc12

COc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1cnccn1

COc1ccc(cc1)N1CCN(CC1)c1oc(Cc2ccccc2)nc1C#N

Cc1cccc(CS(=O)(=O)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1

CC(C)(C)OC(=O)C1C(C(C(=O)OC(C)(C)C)C(C)(O)CC1=O)c1cccnc1

CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1

COc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccc(C)cc2)c2cccnc2)cc1 |t:7,25|

N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N |THB:0:1:8:14.12.13|

CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccc(C)cc1C |w:4.3|

O=C(\C=C1/C(=O)Nc2ccccc12)c1cccs1

N=C1C(C#N)=C2CCC(CC2C(c2cccnc2)C1(C#N)C#N)c1ccccc1 |t:4|

ClCC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1

CC(C)(C)C(=O)NC1(C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F |c:19|

COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

CCOC(=O)C1C(C(C)C(=O)c2ccc(C)cc2)C(C)(C)OC1=O

CCOC(=O)c1sc2nc3CC(OCc3cc2c1N)C(C)C

CCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O

Cc1ccccc1-c1nc2sc3CCCCc3c2c(=O)n1N

COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1 |t:12,14|

CCOc1ccccc1-n1c2c[cH-]cc[n+]2c(C(=O)Nc2ccc(C)cc2)c1=S |(3.08,-5.98,;4.59,-6.3,;5.62,-5.15,;7.12,-5.47,;7.6,-6.94,;9.11,-7.25,;10.14,-6.11,;9.66,-4.64,;8.15,-4.33,;7.67,-2.86,;6.22,-2.39,;4.88,-3.16,;3.55,-2.39,;3.55,-.85,;4.88,-.08,;6.22,-.85,;7.67,-.38,;8.15,1.08,;7.12,2.23,;9.66,1.4,;10.14,2.86,;11.64,3.18,;12.12,4.64,;11.09,5.79,;11.57,7.25,;9.59,5.47,;9.11,4.01,;8.57,-1.62,;10.11,-1.62,)|

O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc2OCOc2c1

CC(C)Nc1nnc(SCC(=O)c2cc(C)n(CC=C)c2C)s1

N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1ccc(Cl)c(c1)[N+]([O-])=O

CC1CCC2(CC1)N=C(N)Nc1nc3ccccc3n21 |t:8,(9.02,-4.33,;9.02,-2.79,;7.69,-2.02,;7.69,-.48,;9.02,.29,;10.35,-.48,;10.35,-2.02,;10.35,1.06,;10.35,2.6,;11.69,3.37,;9.02,3.37,;7.69,2.6,;6.23,3.07,;5.33,1.83,;3.74,1.69,;3.08,.24,;4.02,-1.05,;5.6,-.87,;6.23,.59,;7.69,1.06,)|

C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc(C)on1

COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O

Oc1ccc(cc1C=NNC(=O)Cn1nc2ccccc2n1)[N+]([O-])=O |w:8.9|

Nc1c(c(O)cn1-c1ccc(CC(O)=O)cc1)-c1nc2ccccc2[nH]1

CCc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O

CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O

[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)OCC(=O)NC(=O)c1cccn1C |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|

FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NCc1ccco1

COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC |t:7|

Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1

Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1

C=CCn1c(n[nH]c1=S)-c1cccc2ccccc12

NC(=S)N[N-][CH+]c1cc(ccc1OCCOc1ccccc1)[N+]([O-])=O

CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)Nc1cccc(c1)C(F)(F)F

Cc1sc2nc(C)nc(NCc3ccco3)c2c1C

Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F

COc1ccc(C=C2CCCC3C(N(N=C23)C(=O)COC(=O)CNC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 |w:6.5,t:14|

CCOC(=O)Cc1csc(NC(=O)NC2(Oc3cc(Cl)c(Cl)cc3O2)C(F)(F)F)n1

Clc1ccc(cc1)S(=O)(=O)Nc1ccncc1

Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1

COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2)cc1Br

Cc1cc(C(=O)[C-](C(=S)Nc2ccccc2)[n+]2ccccc2)c(C)n1-c1ccccc1

CC1CC1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl

Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccccc1

CC(=O)COc1ccccc1OC(=O)c1ccco1

COc1cc(OC)c(C=NNC(=S)NCC2CCCO2)cc1OC |w:9.9|

Cc1cc(C)c2CCCC(=NNS(=O)(=O)c3ccc(Br)cc3)c2c1 |w:10.10|

Fc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)N1CCOCC1

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

O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCCC1

CCc1ccc2=NC(=O)C(NNc3nc(cs3)-c3ccccc3)=c2c1 |c:24,t:5|

OP(=O)(c1nccn1-c1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1

Cc1nn(c(C)c1C=NNS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 |w:8.9|

CN(C)c1ccc(CN=Nc2ccc(nn2)-n2ccnc2)cc1 |w:9.9|

Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1

CCN1CC2(C=CC(=O)C(C1)(C2CC(=O)c1ccccc1)[N+]([O-])=O)[N+]([O-])=O |c:5,TLB:8:7:11:2.10.3|

C\C(\C=C(/NC(=O)c1ccccc1)C(=O)NNC1=c2cc(C)ccc2=NC1=O)=C/c1ccccc1 |c:18,26|

Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1

Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12|

CCOc1ccc(C=NNC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)cc1

CCc1cc(C)cc(OCCNC(=O)c2cncc(Br)c2)c1

Cc1c(Cl)cccc1NC(=O)c1cccc(OC(F)F)c1

CC(C)n1c(C)cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C

COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+]([O-])=O)cc(c2)[N+]([O-])=O)cc1

CNC(=O)C1C(C(C#N)C(=N)NC1=S)c1ccccc1

CC1CCc2c(C1)scc2C(=O)NNC(=S)Nc1ccccc1C

CCOc1cc(CNc2ccc3OCCOc3c2)cc(Br)c1OCC

COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1

[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)COC(=O)Cc1ccsc1)(C2)C3 |TLB:8:1:26:6.9.5,THB:2:3:9:1.25.8,2:1:9:3.26.5|

COc1ccccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

CN(C(=NS(=O)(=O)c1ccccc1)C(F)(F)F)c1ccccc1

CCN(CC)C(=O)C1CCCN(C1)c1ccc(cc1[CH+][N-]NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O

NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1ccccc1 |c:1,18,t:12|

[O-][N+](=O)c1ccc(cc1)C(=O)Oc1cccc(c1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12

N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1

CCCCN(Cc1ccco1)C(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O

Clc1cccc(NC(=O)c2snnc2-c2ccccc2)c1Cl

Cc1nnc(-c2cnn(c2N)-c2ccccc2)n1Cc1cccc(c1)C(F)(F)F

Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O

Clc1ccccc1OC(=O)c1ccc(nc1)-n1cncn1

COc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1

CC[n+]1c(CC=Nc2ccccc2)oc2ccccc12 |w:6.6|

COc1ccc(\C=C\C(=O)Oc2ccc(C=NNC(=O)COc3c(C)cccc3C)cc2)cc1

[H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CCC(=O)OCC(=O)c2ccc(OC)cc2)C1=O |TLB:30:9:2:7.5,6:5:10.9:2,THB:8:7:10.9:2,11:10:2:7.5|

O=C(CSc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1

CN1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12

Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O

[O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccn1

C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(3.84,6.9,;3.84,5.36,;5.17,4.59,;5.33,3.06,;6.84,2.74,;7.47,1.33,;6.56,.09,;5.02,.09,;4.54,-1.38,;3.08,-1.85,;5.79,-2.28,;7.04,-1.38,;8.5,-1.85,;5.79,-3.82,;7.12,-4.59,;7.12,-6.13,;5.79,-6.9,;4.46,-6.13,;4.46,-4.59,;3.12,-3.82,;7.61,4.07,;9.14,4.24,;6.58,5.22,;6.9,6.73,)|

CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1

CCOc1n(CC)nc2cc(ccc12)C(=O)NCc1ccccc1OC

COc1ccc(OC)c(Nc2nc(cs2)-c2sc(NC(=O)C(C)(C)C)nc2C)c1

[O-][N+](=O)c1ccc(cc1)[C+]1[N-]OC2(CN(Cc3ccccc3)CC12)C(=O)NCc1ccccc1C(F)(F)F

CCCCNC(=O)c1onc(CSc2cccc(Cl)c2)c1C(O)=O

OC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCC1CCCO1

[H]C12CC3([H])CC([H])(C1)CC(CCOC(=O)C[n+]1cccc(c1)C(N)=O)(C2)C3 |TLB:8:1:27:6.9.5,THB:2:3:9:1.26.8,2:1:9:3.27.5|

CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC(C=O)=C2Cl |c:26|

[H]C12CCC([H])(CC(C1)NC(=S)Nc1ccc(C)c(C)c1)N2Cc1ccco1

Clc1ccc(cc1)C(N(C(=O)CCCC(=O)Nc1ccccn1)c1ccc2OCCOc2c1)C(=O)NC1CCCCC1

COc1ccc(NC(=S)N2CCC(CC2)c2nc3ccc(Cl)cc3[nH]2)c(OC)c1

CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc2OCOc2c1

COc1ccc(cc1OC)C(=O)N\C(=C/c1cccs1)c1nc2ccccc2[nH]1

COc1ccc(OC)c(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C

COc1ccc(OC2C(N(Cc3ccc4OCOc4c3)C2=O)c2sccc2C)cc1

COc1ccc(cc1)-c1csc(n1)N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1

Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C)C(C)(C)C

CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)n1

Fc1ccc(cc1)C(OC(=O)c1cccs1)C(=O)NCC1CCCO1

CNC(=O)C(=C\c1ccc(o1)-c1ccc(OC)cc1[N+]([O-])=O)\C#N

CCOc1ccc(NCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1

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

COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(OCc2ccccc2)cc1

Cc1cc(=O)n2[nH]c(=O)c(N=Nc3ccccc3)c2[nH]1 |w:10.9|

COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1

FC(F)(F)c1cccc(\C=C(\C#N)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)c1

COc1cccc(c1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccco1

C=CCSC1=Nc2sccc2C2=NC(=O)CN12 |t:4,12|

COC(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(=O)cc1Sc1ccccn1

Cc1ccc(cc1)-n1cc(cn1)C(=O)c1ccccc1O

Cc1cc(C)c2c(n1)sc1c2nc(SCc2ccccc2)[nH]c1=O

CCN(CC)C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O

FC(F)(F)c1cnc(N2CCN(CCOC(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1

O=S(=O)(Cc1cc(Oc2ccccc2)nc(n1)-c1ccccc1)c1ccccc1

FC(F)(F)c1cccc(CN2C(=O)C3CCCN3c3ccc(cc23)S(=O)(=O)N2CCOCC2)c1

Cc1cccc(C)c1NC(=O)N1C(CSC1C(O)=O)C(O)=O

CNC(=O)C(=O)c1cc(C)n(c1C)-c1ccc(N2CCOCC2)c(Cl)c1

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1

Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|

On1c(nc2cc(Cl)ccc2c1=O)-c1cccc(c1)C(F)(F)F

CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C

Clc1ccccc1C(=NS(=O)(=O)c1ccccc1)N1CCOCC1

COc1ccc(CC2SC(=NN=Cc3ccco3)N(CC=C)C2=O)cc1

CCOC(=O)c1ccc(cc1)N=CCC(=O)c1ccc(OC)cc1 |w:11.11|

COc1ccc(\C=C\C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1

Cc1cc(C)nc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)n1

CCC(Sc1nc(C)cc(C)n1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1 |c:18,t:16|

COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1cccc(OC)c1

COc1ccc(cc1Br)C(=O)NC(=S)NCCO

COc1ccc(Cn2c(SC)nc3ccccc23)cc1[N+]([O-])=O

CCCCN(c1ccccc1)c1ncnc(N)c1[N+]([O-])=O

COc1ccc(NC(=S)Nc2ccc(F)cc2)c(OC)c1

Cc1ccc(cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

CN(C1C(=O)C(=O)c2ccccc2C1=O)C(C)=O

CCOC(=O)CN1C(=O)S\C(=C\c2cc(C)n(C)c2C)C1=O

CC1(C)Cc2nc3[nH]c(=S)n(-c4ccccc4)c(=O)c3cc2CO1

CCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1

Fc1ccccc1\C=C(\NC(=O)c1ccccc1)C(=O)NCCCC(=O)OCc1ccccc1

COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC

Cc1ccc(cc1)-n1c(C)nc2ccc(C)c3nc(C)cc1c23

COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Br)c2cccnc12

O=C(CSC(=S)N1CCOCC1)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1

Clc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1cccs1

[O-][N+](=O)c1cccc(Cl)c1N1CCN(CC1)C(=S)NC(=O)c1cccs1

COc1ccc(Nc2ncnc3sc(cc23)-c2ccccc2)cc1

Clc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|

COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1

[O-][N+](=O)c1ccc(cc1NCC1CCCO1)N1CCNCC1

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)cc1

[#6]-[#6]-[#7]-1-[#6](=O)\[#6](=[#6]/[#7]-c2ccc(-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(Br)c2)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-1=S

COc1ccccc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O |c:10|

Brc1csc(\C=C(\C#N)C(=O)NCC2CCCO2)c1

CC(C)OC(=O)c1sc2nc(ccc2c1N)-c1ccccc1

COc1ccccc1C(=O)NC(=S)N1CCCc2ccccc12

Cc1cccc(NC2(N=C(NC2=O)c2ccccc2)C(F)(F)F)n1 |c:8|

ClC(Cl)(Cl)C(=O)Nc1cccc2ncccc12

CCn1c2ccccc2n2c1nn(CC(=O)Nc1ccc(cc1)C(C)C)c(=O)c2=O

CCOC(=O)c1cnc2ccccc2c1Nc1ccc2OCCOc2c1

CC(C)(C)C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl

Clc1ccc(cc1)-n1c(CCc2ccccc2)nnc1SCC(=O)c1ccccc1

Clc1ccc(CN2CCN(CC2)C(=S)NCCc2ccccc2)cc1Cl

Cc1nn2c(CN(C(=O)CN3CCOCC3)c3ccccc3)nnc2c2ccccc12

CCOc1cc2CC(=O)N(C(c3ccc(OC)cc3)c2cc1OCC)c1ccccc1

Cc1nc(cn1-c1ccc(N)cc1)[N+]([O-])=O

CC(=NNS(=O)(=O)c1ccccc1)c1ccc2OCCOc2c1 |w:2.2|

ONC(=N)CC(=O)Nc1ccc(F)cc1

CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC

Cc1ccccc1OCC(=O)OCC(=O)c1ccc(cc1)-c1ccccc1

CCOc1ccccc1OCCOCCOc1c(Cl)cccc1Cl

CCOC(=O)N1CCN(CC1)C(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1

COc1ccc(O)c(c1)C1=Nc2ccccc2N=C(C1)c1cccs1 |c:19,t:10|

CCCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc12

CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(C)cc1

Fc1ccc(N2C(=N)C(C#N)C(C3=C2CCCC3)(C(F)(F)F)C(F)(F)F)c(F)c1 |c:12|

CCN(CC)C(=S)SCC(=O)Nc1nc(=O)c2ccccc2s1

[#6]-[#6]-[#8]-[#6](=O)-c1cc(-[#6]-[#6])sc1-[#7]\[#6]=[#6]-1/[#6](=O)-[#6]-[#6]-[#6]-[#6]-1=O

COc1cc(C=Cc2nc(N)nc(n2)-c2ccccc2O)cc(OC)c1OC |w:5.4|

CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1

Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1-c1cccc(c1)[N+]([O-])=O

Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc23)c1C(N)=O |w:12.12|

CC(C)c1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1 |w:9.9|

Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1

O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1

Clc1cnn(-c2ccccc2)c(=O)c1Cl

Cc1cc(O)c(C2=Nc3ccccc3SC(C2)c2ccc(Cl)cc2)c(=O)o1 |t:6|

[O-][N+](=O)c1ccc(cc1)\[NH+]=C\[c-]1sc2ccccc2c1=O

Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccc(C)cc2)C1=O |w:14.15|

CCOc1ccc2nc(NC(=O)\C=C\c3ccc4OCOc4c3)sc2c1

Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1ccc(O)cc1

OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2ccccc2Cl)cc1 |w:9.9|

COC(=O)c1ccc(N\N=N\c2ccc(cc2)C(=O)OC)cc1

Cc1ccc(NC(=O)c2ccc(Nc3c(cc(cc3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)cc2)cc1

CCCCN1CNC(=S)N(C1)c1ccc(cc1)C(=O)OCC

OC(=O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1

Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1

CC(CCc1ccccc1)NC(=O)c1cccc(c1)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1

Clc1ccc(cc1)C(=O)Oc1c(oc2ccccc2c1=O)-c1ccccc1Cl

COC(=O)CCC(=O)NNC(=O)c1cccc(Br)c1

Cc1cc(N=NCc2ccc(O)c(C)c2O)nc(n1)-c1ccccc1O |w:4.3|

CC1=NC(=S)NC(C1C(=O)Nc1ccccc1C)c1cccs1 |t:1|

COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC |w:7.7|

CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(NC(=O)C(=O)NCc2ccncc2)n1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

CN(C)c1ccc(NC(=O)CC(C)=NNC(=O)Cc2csc(N)n2)cc1 |w:13.13|

COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1

CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1

Cc1cc(C)c(C#N)c(SCc2nnc(o2)-c2ccccc2)n1

Cc1cccc(NC(=O)c2sc(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)c1

Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1

CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3OCOc3c2)C1=S

CN1CCN(CC1)C(=O)\C=C(\C)C(O)=O

CCOc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O |w:7.7|

COc1c([N+]([O-])=O)c(=O)oc2ccccc12

COc1ccccc1C(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O

CC1(C)CC(=CC(C)(C)N1C=O)c1ccc(C=O)s1 |c:4|

COc1ccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)cc1OC |w:7.7|

Nc1nc(Cl)nc(n1)N(c1ccccc1)c1ccccc1

C\C(C=NNC(=O)Cn1cnc2ccccc12)=C/c1ccccc1

C\C(C=NNC(=O)c1cc(C)oc1C)=C/c1ccccc1

ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1

CCOC(=O)NN=Cc1ccc(C)s1 |w:6.5|

COc1ccc(cc1)C(N(C(=O)CCl)c1cccc(Cl)c1)C(=O)NC1CCCCC1

O=C(CN1CCN(Cc2ccccc2)CC1)NN=C\C=C/c1ccco1

Fc1ccc(NC(=O)c2cc3nc4CCCCc4c(n3n2)C(F)(F)F)c(F)c1

CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O

Cc1cc(\C=C2/Cc3ccccc3C2=O)c(C)n1-c1ccccc1

COc1cc(OC)cc(c1)-c1cc([nH]n1)N1N(O)c2ccccc2NC1=O

CN(C)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1

Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1

On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1

CC1(C)Oc2ccccc2C(=O)C1(Cl)SNc1ccc(F)cc1

O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1

CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O

Cc1c(C2=CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2n1C |t:3|

CN(Cc1ccco1)C(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1

Cc1ccc(NC(=O)Cc2ccc(cc2)-n2cccc2)c(C)c1

COCCN(C(C)c1cccnc1)C(=S)Nc1c(C)cccc1C

OC(=O)c1ccc2nc(sc2c1)-c1ccccc1

Cc1nc(SCC(=O)Nc2nc3ccccc3s2)c(C#N)c(C)c1C

CC(=O)C(Sc1nnc(-c2ccccc2)n1-c1ccccc1)=NNc1ccc(Cl)cc1 |w:22.25|

CC(C)Cc1csc(NC(=O)c2ccc(F)cc2)c1C(O)=O

COc1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:13.14|

COc1ccc(cc1)C(CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCl)c1ccccc1

[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|

Cc1nc2n(C)c(=O)n(C)c(=O)c2cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:18.19|

O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1 |c:9,t:2|

COC(=O)c1c(C)c(C)sc1-n1c(O)c2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cccc4C)c2c1O |wU:20.21,wD:15.20,(4.46,-2.17,;4.46,-.63,;5.79,.14,;7.12,-.63,;5.79,1.68,;4.54,2.58,;3.08,2.11,;5.02,4.05,;4.12,5.29,;6.56,4.05,;7.04,2.58,;8.5,2.11,;9.74,3.01,;9.74,4.55,;10.98,2.11,;12.52,2.11,;13.76,3.01,;15,2.11,;14.53,.65,;13,.65,;11.75,-.26,;10.5,-1.16,;9.04,-.69,;10.98,-2.63,;12.52,-2.63,;13,-1.16,;14.56,-.8,;15.64,-1.99,;15.15,-3.51,;13.57,-3.84,;13.08,-5.29,;10.5,.65,;8.97,.65,;8.07,-.59,)|

COc1cccc(C=NNC(=O)c2cnccn2)c1

Oc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1 |w:6.6|

CCc1ccc(\C=C2/Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1

Cc1ccc(cc1)S(=O)(=O)N1CC([C+]([N-]1)C(=O)C1CO1)c1cccc(c1)[N+]([O-])=O

Cc1cccc(c1)-c1nnc(NC(=O)c2cccs2)s1

CCOC(=O)CNC(=O)CSc1nnc(C)c(=O)[nH]1

Cc1nc2c(ccc3nc(NC(=O)Cc4cccc5ccccc45)sc23)s1

O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)C1CCCO1

Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O

CCCCC1C(=O)NC(=S)NC1=O

Cc1ccc(NC2=NC(=O)C(S2)=Cc2cccs2)cc1C |w:12.13,t:6|

CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cc(OC)c(OC)c(OC)c1

CCCCCCc1cc2cc(c(=O)oc2cc1O)S(=O)(=O)c1ccc(F)c(Cl)c1

COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O

CCc1cccc(CC)c1NC(=S)N1CCn2cccc2C1c1cccnc1

Cc1cccc2sc(NNC(=O)C3COc4ccccc4O3)nc12

CCOC(=O)c1c2CCCCc2sc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C

Cc1ccc(cc1)S(=O)(=O)c1c(cnc2cc3OCCOc3cc12)C(=O)c1ccccc1

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

Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc23)n1

COCCNC(=O)CSC1=N\C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F |t:9|

O=[#6](-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccccc1)-c1cc2-[#6]-[#6]-[#6]-[#6]-c2s1

Clc1ccc2sc(SCC(=O)Nc3cccc(c3)S(=O)(=O)N3CCOCC3)nc2c1

CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(Oc3ccc(C)c(C)c3)c21

CC(C)(C)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

CC(=O)NC(=S)Nc1cccc(c1)S(=O)(=O)NC1=NCCC1 |t:18|

O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12 |w:12.13,c:10|

CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cn2cnc3ccccc23)ccc1C

FC(F)(F)Oc1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1

Cc1cccc(NC(=O)C2=C(N)C(C(=O)N3CCOCC3)\C(S2)=N\c2c(C)cccc2C)c1 |c:9|

CNC(=O)NC(=O)COC(=O)c1ccc(cc1)-n1c(C)ccc1C

Cn1cc(Cl)c(n1)-c1n[nH]c(=S)n1-c1ccc(F)cc1

NNC(=O)c1ccc(O)cc1O

CC1CC(C)CN(C1)C(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1

Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)cc1C

Cc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc(F)cc1

CCOC(=O)c1c(C)[nH]c(c1C)C1=NN=C(Nc2cccc(Cl)c2)SC1 |t:13,15|

CCCN1C(=O)\C(=N/NC(=O)c2ccco2)c2ccccc12

NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(CCCC2)c2ccccc2F)cc1

COc1cc(C=NNC2=c3ccccc3=NC2=O)cc(OC)c1O |w:6.6,c:8,15|

CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1 |w:9.9|

Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9|

O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1cccs1 |w:3.2|

CCC(C)(NC(=O)c1ccccc1)C(O)=O

O=C(NNc1nc2ccccc2s1)Nc1ccccc1

CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

Brc1ccc(C=NNC(=O)c2ccc3OCCOc3c2)o1

CCCNC(=O)COc1ccc2c(c1)occ(Oc1ccccc1F)c2=O

CCNC1=NN=C(CS1)c1cc(C)n(CC=C)c1C |c:5,t:3|

[O-][N+](=O)c1ccc(NC(=O)C2(CCOCC2)c2ccccc2)cc1

[O-][N+](=O)c1cnn(CC(=O)NCC2CCCO2)c1

CC(C)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1

CCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1

Cc1oc(C=NNC(=O)CC2(C)OCCO2)cc1Br

Clc1ccc(cc1)S(=O)(=O)CCc1nc2ccccc2[nH]1

CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1ccccc1

CC(C)CN(CC(C)C)C(=S)NC1CCCCC1

CC(C)Nc1nnc(Sc2ccc(Cl)cc2[N+]([O-])=O)s1

CN(C)c1ccc(C=NNC(=O)C2COc3ccccc3O2)o1

Cc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

O=C(Cc1ccccc1)Nc1cccc(c1)N1C(=O)C=CC1=O |c:21|

Cc1sc2nc(SCC(=O)N3CCc4ccccc4C3)n(CC=C)c(=O)c2c1C

Fc1ccccc1C1(CCCC1)C(=O)OCC(=O)N1CCc2ccccc12

Cc1cc(Nc2ccc3OCCOc3c2)c2cc(Cl)ccc2n1

Nc1ncnc2nc(SCCOc3ccc(Cl)cc3)[nH]c12

CCCC(=O)Nc1cccc(NC(=O)c2cccc(c2C)[N+]([O-])=O)c1

COc1ccc(cc1)N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1

CCN(CC)CCCNC(=O)\C=C\c1ccc2OCOc2c1

COc1ccc(CCNC(=O)Cc2cccs2)cc1

CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O

Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|

Cn1nc(N)c2c(-c3ccccc3)c(C#N)c(N)nc12

CC(C)(C)c1ccc(\C=C2/SC(=O)N(CCNC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)C2=O)cc1

CCn1nc(C)c(C=NNC(=O)c2c[nH]c3ccccc23)c1C |w:8.8|

CN1CCN(CC(=O)Nc2nnc(s2)-c2cccs2)CC1

[O-][N+](=O)c1ccc(cc1)C(=O)[C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1

[H]/N=C(N)/SCc1ccccc1Cl

CCOC(=O)C[n+]1c(C)csc1C

Nc1nc(Cl)nc2ccc(Br)cc12

Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c1ccccc1Cl

Cc1cn2c(nc(=O)c3cccnc23)s1

CCOC(=O)c1cccnc1NC(=O)c1ccncc1

Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|

Cc1nc2ccc(NC(=O)Cc3sc(nc3-c3ccc(C)cc3)-c3cccnc3)cc2s1

COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc5ccccc5c4)[nH]c3c2)cc1

CCC(C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1

CC1CCN(CC(=O)c2cc(C)n(c2C)-c2ccccc2F)CC1 |(3.08,7.31,;3.99,6.07,;5.52,6.23,;6.42,4.98,;5.8,3.58,;6.7,2.33,;6.07,.92,;4.54,.76,;6.98,-.32,;8.52,-.32,;9,-1.79,;10.46,-2.26,;7.75,-2.69,;6.5,-1.79,;5.04,-2.26,;7.75,-4.23,;9.08,-5,;9.08,-6.54,;7.75,-7.31,;6.42,-6.54,;6.42,-5,;5.08,-4.23,;4.26,3.41,;3.36,4.66,)|

COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)c1cc(C)n(c1C)-c1ccc(F)cc1

CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21

CC(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:3.3|

CCCn1c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)nc2ccccc12

CC1Cc2ccccc2N1C(=O)CON=Cc1ccc(OC(F)F)cc1

CC1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1

Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1

COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21

CCOc1ccccc1Nc1nnc(SCc2nnc(o2)-c2cc(OC)c(OC)c(OC)c2)s1

[O-][N+](=O)c1ccc(s1)C(=O)N1CCN(CC1)c1cccc(Cl)c1

CNC(=S)NN=Cc1c(Cl)cccc1Cl |w:5.4|

CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1nc2CCCCc2s1

CCCn1c(C)cc(C(=O)COC(=O)c2ccc[nH]c2=O)c1C

CN(C(c1ccccc1)c1ccccc1)C(=O)c1ccc2N3CCS(=O)(=O)N=C3Sc2c1 |c:29|

Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)n1CC=C

CCOc1ccc(\C=C2/SC(=O)N(CCNC(=O)C3COc4ccccc4O3)C2=O)cc1OC

CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18|

COc1ccc(NC(=S)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)cc1

O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O

Cc1ccc(cc1C)C(=O)CSc1cnc2ccccc2n1

O=C(OCn1nnc2ccccc2c1=O)c1cc(nc2ccccc12)-c1ccccc1

Cc1ccc(F)cc1NC(=S)NCCc1ccccc1

CC1CC(CC(C)(C)C1)=NNc1nc2ccccc2[nH]1 |w:9.10|

CN=c1scc(-c2cccs2)n1N=Cc1ccccc1O |w:12.13,1.0|

CCc1nc2ccc(cc2nc1CC)C(O)=O

Cn1c(SCC(=O)Nc2ncc(cc2Cl)C(F)(F)F)nnc1-c1ccc(Cl)cc1

FC(F)(F)c1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NCCc2c[nH]c3ccccc23)c1

Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccccc1

CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1cccc(O)c1O |w:21.22|

CCC(\N=c1/cc(oc2ccc(C)cc12)-c1ccc(OC)c(OC)c1)C(O)=O

[O-][N+](=O)c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1

COc1ccc(cc1)-n1c(C)cc(-c2csc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)n2)c1C

CCOc1ccc2nc(NC(=O)c3cc(ccc3N3CCOCC3)[N+]([O-])=O)sc2c1

CCc1ccc(cc1)C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1 |t:9,11|

CSCc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:8|

CC(NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccccc1)c1ccc2OCCOc2c1

CC(C(=O)Nc1ccc(cc1)C(C)=O)n1nc(-c2ccccc2)c2cc(Cl)ccc12

CC(C)c1onc(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)c1[N+]([O-])=O

Fc1ccccc1-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1

CCCCOc1cccc(c1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1Cc1cccnc1

CCC(CC)c1nc(C#N)c(NCc2ccccc2)o1

COc1ccc(cc1)C(=O)c1c[nH]cc1-c1ccccc1

NC(NC(=O)c1ccc(Cl)cc1)=Nc1nc2ccccc2o1 |w:12.13|

CN(C)c1ccc(CN=Nc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:9.9|

O=C(CN1CCCC1)Nc1c2CCCc2cc2CCCc12

COc1ccccc1N1CC(C)C(=O)NC1=S

Brc1cncc(c1)C(=O)NC(=S)NCCC1=CCCCC1 |t:16|

Nc1c(NC(=O)CC[n+]2ccccc2)cccc1[N+]([O-])=O

CCC(=O)CCC(=O)c1ccc2ccccc2c1

Fc1ccc(CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1

CCCN1\C(S\C(=C\c2ccncc2)C1=O)=N\c1ccccc1

O=C1SCC(=NN1Cc1ccccc1)c1ccccc1 |c:4|

O=C(NN=Cc1cccnc1)c1ccc2OCCOc2c1

CCOc1ccc(cc1)N=Nc1c(N)[nH][nH]c1=O |w:9.9|

Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCN=C1c1ccccc1 |c:16|

CCc1ccccc1NC(=O)COc1cccc2ccc(C)nc12

CC(C)C\N=C(\NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl

CN(c1ccccc1C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1

CC(ON=Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 |w:3.2|

CCCCNCCOCCOc1ccccc1-c1ccccc1

CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2c1c(=O)[nH][nH]c2=O

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN(CCO)CCO)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|

Nc1nc(NC(=O)C(Cl)(Cl)Cl)nn1-c1ccccc1

CN1CCN(CC1)C(=O)C(\NC(=O)c1ccco1)=C/c1cccs1

COc1ccc(OC)c(NC(=S)NCc2cccnc2)c1

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2c(-[#6])n(-[#6])n(-c3ccccc3)c2=O)-[#6]-1=O

CCOc1ccc(cc1)N=C(NN)c1ccc2ccccc2n1 |w:9.9|

CC1CCCN(CCCOc2ccc(Cl)cc2Br)C1

CC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F

Fc1ccc(N=CCC(=O)c2ccccc2)c(Br)c1 |w:5.4|

COC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1

[O-][N+](=O)c1ccccc1C(=O)NCc1cccs1

[H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-3=O)-c1ccc(-[#6])c(-[#6])c1)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:21:3.2,THB:11:6:21:3.2|

CN(C)C(=O)c1sc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)nc1C

CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc(C)c2)c1

Cc1cc(CN=Nc2nnc(C)n2N)c(C)n1-c1ccc(F)cc1 |w:5.4|

CC(Cc1ccccc1)C(=O)Nc1ccccc1

CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1

CC(=O)OCC(=O)NCC(=O)c1c[nH]c2ccccc12

Cc1ccc(cc1)S(=O)(=O)n1ccc(=O)[nH]1

CCCCNC(=O)C(N(CCc1c[nH]c2ccccc12)C(=O)CCCCCN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccc(cc1)-c1ccccc1)c1ccc(OCC(=O)OC)c(c1)C(=O)OC |c:45|

COC(=O)[C@H](CO)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C

Oc1cc(N=CCN2CCOCC2)c(O)c2cnccc12 |w:4.3|

COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1

NCCCC[C@@H](C(=O)N1CCNCC1)n1cc(nn1)[C@@H](N)CO

CN(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1

[H]C12CC([H])(C3C1ON=C3C(=O)OCC)C1C2C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O |c:9,TLB:7:6:15.16:2,17:16:2:5.6,THB:32:15:2:5.6,9:5:15.16:2|

CCOc1ccccc1NC(=O)Cn1c(noc1=O)-c1ccc(Cl)cc1

COc1cccc(c1)-n1nc(-c2ccnn2-c2cccc(Cl)c2)c(=O)n(C)c1=O

CC1CCN(CC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)CC1

Cc1c(C(=O)C(=O)NCc2cccs2)c2ccccc2n1C

NC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2CN(Cc3ccccc3)CCc12

COc1ccc(CCNC(=O)CSc2ccc(nn2)-c2ccco2)cc1

O=C(CSc1ccc(nn1)-c1ccccn1)NC1CCCCC1

OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F |c:9|

OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|

CN(C)c1ccc(\C=C2/SC(=O)N(CCc3nnc(N)s3)C2=O)cc1

Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccco2)s1

CNC(=S)NN=Cc1ccc(o1)-c1cccc(c1)C(O)=O |w:5.4|

[O-][N+](=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1

COc1ccc(\C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1O

COc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OC)c(Cn2cc(cn2)[N+]([O-])=O)c1

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1

COc1ccc2nc(Cl)c(cc2c1)C#N

CC(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(O)cc1

Cn1ccnc1C1CCCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1

CC(C)N1CCC(CC1)N1CCN(CC1CCO)C1CCCC1

CCOc1ccc(NCC(=O)c2ccc(C)cc2)cc1

CN(C)CCCNC(=S)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O

Cn1c2ncn(CC(=O)Nc3cccc(c3)S(=O)(=O)Nc3ccccc3F)c2c(=O)n(C)c1=O

CC(=O)NN=C(C)CC(=O)NC(C)(C)C |w:4.3|

COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1

C=CCOCCN(CCOCC=C)C1=NS(=O)(=O)c2ccccc12 |t:13|

O=C(Nc1ccccc1NC(=O)c1csnn1)c1csnn1

CCOC(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12

CC1=C(C(C2C(=O)CCCC2=N1)c1cc(CN2CCOCC2)cs1)C(=O)Nc1ccccc1 |c:11,t:1|

CCCNC(=O)N1CCCC(C1)C(=O)c1cccc(Cl)c1

CCOC(=O)C1(Cc2ccccc2)CCCN(CCCn2cccn2)C1

COc1ccc(cc1)C(=O)Nc1ccc2n(C)c(CN3CCCC3)nc2c1

OCCCn1nnnc1SCC(=O)Nc1ccc2OCOc2c1

COc1ccc(cc1)-n1c(O)cc(NNc2ncc(Cl)cc2Cl)c1O

ClCC(=O)N1N=C(CC1c1ccco1)c1cccs1 |c:5|

C[n+]1c(\C=C\c2ccc3OCOc3c2)ccc2ccccc12

Cc1ccc(NC(=O)c2cnc(N3CCN(CC3)c3ccccn3)c3ccccc23)c(Br)c1

CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1

COc1ccc(CCNC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)cc1

CCOC(=O)c1n[nH]c(=O)c2ccccc12

CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccc(F)cc1

O=C(Cn1nnc2ccccc12)NNC(=S)NC1CCCCC1

C[C+]([N-]NC(=O)CNC(=O)c1ccccn1)c1ccc(cc1)[N+]([O-])=O

Cc1ccc(cc1)C1CCN(C1)C(=S)NC(C)(C)C

Fc1ccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)cc1

Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccccn1

CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2C)cc1

Fc1ccc(cc1)-n1cc(CNCCc2ccccn2)c(n1)-c1ccccc1Cl

N#CC(C=Nc1ccc2cn[nH]c2c1)c1nc(cs1)-c1ccccc1 |w:4.4|

Cc1cc(nn1CC(=O)NCc1nc2ccccc2[nH]1)[N+]([O-])=O

Fc1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)cc1

CCn1c(nc2ccccc12)S(O)(=O)=O

CCCCOc1ccc(cc1)N1CC(CC1=O)C(=O)NCCc1ccc(OC)c(OC)c1

COc1cccc(c1)N(CC(=O)Nc1cccnc1)S(C)(=O)=O

Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1

CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccn1

COc1ccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1

CC(N=O)C(C)=NNC(=O)c1ccccn1 |w:6.6|

CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1

NC1=NC(c2c[nH]nc2-c2cccc(F)c2)n2c(N1)nc1ccccc21 |t:1|

CCOC(=O)N1CCN(CC1)C(=S)Nc1ccc(C)cc1C

CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc(cc2)[N+]([O-])=O)c1C

CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(CCO)CC1

Cc1ccnc(NC(c2ccsc2)c2ccc3ccc(C)nc3c2O)c1

Fc1cc(ccc1-c1ccccc1)C(=O)C1CCCN(C1)C(=O)c1cncs1

CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(c2)-n2cccn2)CC1

CC(=O)Nc1ccc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1

CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1

CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1

COCCNC(=O)C(N(C(=O)C(=O)NC1CCCC1)c1ccc2OCCOc2c1)c1ccccc1F

O=C(NC(=S)N1CCSCC1)\C=C\c1ccccc1

Fc1ccc(cc1)-c1cc(nc(n1)-n1cccn1)-c1ccccc1

O=C(Cn1cc(C(=O)c2ccco2)c2ccccc12)NC1CCCCC1

COc1ccc(cc1OC)C1=NN(C(C1)c1cccs1)S(C)(=O)=O |t:11|

COc1ccc(cc1C(C)C)S(=O)(=O)N1CCCC1

CC(C)CC(=O)NC(NC(=O)CC(C)C)c1cccc(c1)[N+]([O-])=O

CCn1cc(cn1)S(=O)(=O)Nc1ccc2OCCOc2c1

CCOC(=O)C1C(NC(=S)N=C1C)c1ccsc1 |c:10|

CCOC(=O)C(CC)Sc1ccc2nnc(-c3cccnc3)n2n1

Cc1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)N2CCCC2C(O)=O)cc1

CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1

CC(C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc(cc1)[N+]([O-])=O

NS(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1

CN(C)C(=O)CSc1n[nH]c(=O)[nH]c1=O

OCC(O)CSc1cc(NC(=O)CCl)cc(c1)[N+]([O-])=O

CCC(=O)n1nc(nc1NCc1cccs1)-c1cccnc1

Oc1c(CN2CCN(CC2)c2ccccc2)cc([N+]([O-])=O)c2cccnc12

COc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2ccc(OC)cc2)cc1

COc1cccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)c1

COc1ccc(cc1)S(=O)(=O)NCC1CCCN(C1)C(=O)C1CCCC1

CCn1c(C)cc(C=C2NC(=O)N(C2=O)c2ccccc2)c1C |w:7.6|

CCOc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)cc1

CSc1cccc(NC(=S)N2CCC(CC2)N(C)C2CCCC2)c1

Cc1nc2ccc(cc2s1)C(=O)Oc1ccc(C)cc1

OC(=O)\C=C/C(=O)Nc1ccc(OCc2ccccc2)cc1

COc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:8.8|

CN(C)CCNS(=O)(=O)c1cc(ccc1C)-c1nn(C)c(=O)c2ccccc12

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)cc2)ncn1 |w:20.20|

OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1

CCN(CC)C(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O

Cc1cccc(NCc2ccc(O)c3ncccc23)c1C

COc1ccc(cc1)S(=O)(=O)NCC1CCCN(Cc2ccc(C)o2)C1

Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C

Cc1cccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCc2cccs2)c1

[#6]-[#6]-[#8]-c1ccc(cc1)-[#7](-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)S([#6])(=O)=O

COc1cc(C=O)ccc1OC(=O)c1ccc(cc1)C(C)C

CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(C)s2)c1

Cn1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)[N+]([O-])=O)c2ccccc12

Oc1nc(N=NCc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 |w:4.3|

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

CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1

CCCCC(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O

Nc1nc(CSC(=S)N2CCCCC2)nc(Nc2ccccc2)n1

C=CCNC(=S)Nc1sc2CCCCc2c1C#N

Nc1ccc2OC3(CCCC3)Oc2c1

CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1

Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1

CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1[N+]([O-])=O

CC(O)CNCCCOc1ccc(Cl)cc1C(C)(C)C

CCN1C(=O)C(c2ccccc12)(c1ccc(O)cc1)c1ccc(O)cc1

COc1cccc(C(=O)Nc2sc(cc2C(N)=O)C(C)C)c1OC

CCOc1ccc2ccccc2c1CNc1nnnn1CC

CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1F

CCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1

Cc1cc(NC(=O)Cn2ccc(n2)[N+]([O-])=O)no1

CCOc1cc(CNCC2CCCN2CC)cc(Cl)c1OC

[O-][N+](=O)c1ccccc1CC(=O)O[N-]C(=[NH2+])c1cccnc1

COc1ccc(N2CCN(CC2)C(=O)c2cccc(Br)c2)c(c1)[N+]([O-])=O

Cc1nc(Nc2ccccc2)sc1C

Brc1ccc(cc1)C(=O)CCC(=O)Nc1cccnc1

CC(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1

CC1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O

COC(=O)NN=Cc1ccc(C=NNC(=O)OC)cc1 |w:5.4,12.12|

CC(=O)C1C(=O)c2c(cccc2[N+]([O-])=O)\C1=N/c1ccc(cc1)S(N)(=O)=O

Cc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(=O)Nc1ccccc1C(O)=O

COC(=O)c1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)cc1

OCC1(Cc2cccc(F)c2)CCN(CC1)C(=O)NCc1ccccc1

COc1ccc(F)cc1C(=O)C1CCCN(Cc2cccn2-c2ccccn2)C1

CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(CC1)C(=O)c1csc(C)n1

OCCC1CN(Cc2cccc(c2)-n2cccn2)CCN1Cc1ccccc1

CC(C)N1CCN(Cc2ccc3nsnc3c2)CC1CCO

Cc1oc(nc1CN1CCN(CC1)c1cccc(C)n1)-c1ccccc1Cl

CCOC(=O)C1(CC2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1

COC1CCCN(C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1

[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2cc(F)ccc2-n2nc(-[#6])cc2-[#6])-[#6]-[#6]-1-[#6]-[#6]-[#8]

COCCNC(=O)CCc1nnc(o1)C1(CCC1)c1ccc(Cl)cc1

Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1

Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3OCCOc3c2)C1

Cn1cc(CCNC(=O)CC2N(Cc3cccc(Oc4ccccc4)c3)CCNC2=O)cn1

Cc1oc(nc1CN1CCCC1c1ccc(F)cc1)-c1cc2OCOc2cc1Cl

OC(=O)c1cccc(NC(=O)\C=C\c2ccccc2)c1

COc1ccc(Cn2nnnc2C(N2CCN(C)CC2)c2cc3cccc(C)c3[nH]c2=O)cc1

CC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O

NNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1

CN(C)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccncc1

CC(C)Oc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCC(O)=O)cc1

Cc1cc(C)nc(NC(N)=Nc2ccc3OCCOc3c2)n1 |w:10.10|

[O-][N+](=O)c1cccc(NC(=O)CCc2ccccc2)c1

CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1

CC1CC(=O)Nc2cc(ccc2N1)[N+]([O-])=O

O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1

Cc1cc(C)n(n1)-c1nc2ccccc2s1

COc1ccc(cc1)C1NS(=O)(=O)N=C1N |c:14|

COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)cc1OC

COc1ccc(cc1)-n1nc(C)cc1N

COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C(Cc1cccc(OC)c1OC)NC(C)=O

COC(=O)c1ccc(N2CCN(CC2)C(C)=O)c(NC(=O)COc2ccccc2C)c1

NC(=O)COc1ccc(cc1)-n1cnnn1

COc1cccc(c1)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1

CC(C)NC(=O)CC(=O)NN=Cc1ccccc1C(O)=O

COc1ccc(C=O)cc1Cn1ccnc1C

Cn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O

COc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1Br |w:8.8|

[O-][N+](=O)c1cccc(c1)-c1nnc(o1)-c1ccccc1

CC(C)Cn1c(nc2ccccc12)N1CCN(CC1)C(=O)\C=C\c1ccccc1

COc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1

COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1

Nc1ccc2oc(nc2c1)C1CCCCC1

OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCCC1

COC(=O)CN1C(c2ccccc2)c2cc(C)ccc2NC1=O

COc1cccc(c1)N1CCN(Cc2nnnn2C2CCCCC2)CC1

CC(C)(C)C(=O)Nc1ccc(cc1)\N=N\c1ccccc1

CCN(CC)CCCN(C(=O)c1ccco1)c1nc(cs1)-c1ccc(C)cc1

COc1cccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc12

CN(C)c1ccc(cc1)C(=O)NN=C(C)c1cccc(c1)[N+]([O-])=O |w:12.12|

COc1cccc(c1)-c1cc2nc3CCCCc3c(NCC(C)(C)CN(C)C)n2n1

CC1(C)CC(CC(C)(C)N1)NC(=O)COc1ccccc1Cl

CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O |t:7|

Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccccc3)c2=N)cc1

CN(C)c1ccc(C=NNC(=O)c2cccc(c2)N2CCCC2=O)cc1

CC(=O)NC1=NN(C(S1)c1ccccn1)C(C)=O |t:4|

CCN(CC)CCCNC(=O)C(\NC(=O)c1ccco1)=C\c1ccc[nH]1

COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCCCC1C

CC(C)(C)NC(=O)C1CC(=O)OC11CCOC(C)(C)C1

CCCC(CCC)C(=O)Nc1ccc2CCc3ccccc3N(C(=O)CCN3CCN(C)CC3)c2c1

CC(=O)Oc1ccc(OC(C)=O)c(SCCCCCCl)c1

CCOc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2c1 |c:8|

CN1CCN(CC1)c1ncnc2n(Cc3ccc(C)cc3)ncc12

CC1CCCN(C1)C(=O)C1(CCCCC1)NC(=O)Nc1cccc(F)c1

C[N+]1(CC2COC(O2)c2ccco2)CCCCC1

CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C

COc1cc(cc(OC)c1OC)C(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NCc1ccccc1

[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:5,8|

OC12NC(=O)NC1(O)c1ccccc1C2=O

[H]C12COC([H])(O1)C(CC2n1nnnc1-c1ccccc1Cl)=NNC(N)=S |w:22.26,TLB:10:9:6:3.2,THB:22:7:6:3.2|

COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)NCc2ccccc2OC)c2ccccc2c1=O

CCN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCCC(C)C3)ccc2n1

CC1CC(C)(C)NC(=S)N1CC(=O)Nc1cccc(c1)C(C)=O

CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1

CCCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C

COc1ccccc1-n1c(CNC(=O)c2cccc(c2C)[N+]([O-])=O)n[nH]c1=S |(10.87,7.65,;10.55,6.14,;9.09,5.66,;7.94,6.69,;6.48,6.22,;6.16,4.71,;7.3,3.68,;8.77,4.16,;9.91,3.13,;9.75,1.59,;8.41,.82,;8.41,-.72,;7.08,-1.49,;5.75,-.72,;7.08,-3.03,;8.41,-3.8,;8.41,-5.34,;7.08,-6.11,;5.75,-5.34,;5.75,-3.8,;4.41,-3.03,;4.41,-6.11,;4.41,-7.65,;3.08,-5.34,;11.16,.97,;12.19,2.11,;11.42,3.45,;12.04,4.85,)|

COC(=O)c1c(C)[nH]c(C)c1-c1cccc(c1)[N+]([O-])=O

[O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1ccccn1

COc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccccc1F

Cc1ccc(cc1)C(=O)Nc1cc2ccccc2oc1=O

CCCCCn1c(SCC(=O)CC(=O)OCC)nc2cc(ccc2c1=O)C(=O)N1CCC(CC1)C(N)=O

CCCCNC(=O)C(=O)NN=Cc1ccc(cc1)C(=O)OC

CCCN1Cc2cccc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c2C1=O

COc1cccc(c1)-n1c(N)c(sc1=S)-c1nc2ccccc2[nH]1

CC1=Nc2cc(ccc2Sc2ccc(Br)cc12)C(=O)NCC1CCCO1 |t:1|

CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1

COc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3F)C2=O)cc1OC

CN(C1CCCCC1)c1ccc2nc3ccccc3c(=O)n2n1

CCOC(=O)c1nnn(CC(=O)NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC

Cc1cc(C)c(NC(=O)CSc2nncn2-c2cccnc2)c(C)c1

CCCCNC(=O)CNC(=S)N(Cc1cccs1)Cc1ccccc1

Clc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)nc1

CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(cc1)S(N)(=O)=O)C(=O)NCCOC

CC(C)c1ccc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1

CCOC(=O)C1CCN(CC1)c1c(NCc2ccc(cc2)C(=O)Nc2ccc(C)cc2)c(=O)c1=O

CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)CC

Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc12)N1CCOCC1

Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1

CCC(C)NC(=O)CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:16|

COc1ccc(N(C)C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(OC)c1

CC(C)CCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1

OC(=O)c1cccc(c1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:25|

CC(C)C(=O)N1CCN(CC\[NH+]=C\c2c(C)[n-]n(-c3ccc(cc3)[N+]([O-])=O)c2=O)CC1

COc1cccc2c1ccn(CC(=O)NCCc1ccccc1)c2=O

CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc4ncsc4c3)sc2C(C)(C)N1

Fc1ccccc1NC(=S)Nc1ccc(CN2CCOCC2)cc1

Cc1cc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2cc1C

CCS(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1

CC(C)(C)c1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:9.8|

COc1ccc(cc1)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccc(cc1)C(C)C

Fc1ccc(F)c(c1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCCn1ccnc1

O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|

CCN1CCc2c(OCc3ccccc3)cccc2C1=O

COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)C(=O)NCc1ccncc1)c1ccco1

COc1ccc(NC(=O)CSc2nnc3ccc(nn23)-c2ccncc2)cc1OC

CCc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1

O=C(NCC(N1CCOCC1)c1ccco1)C(=O)NCc1ccco1

Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)N1CCOCC1

CCOC(=O)CSc1cc(CS(C)(=O)=O)nc(n1)-c1ccccn1

C\[N+]([O-])=C/C1C(=O)CC(C)(C)CC1=O

O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O

OCCNc1nc2nonc2nc1NCCO

CCCNC(=S)N1CCCC(C1)c1nc2ccccc2[nH]1

Fc1ccc(cc1)-c1nc2c(cnn2cc1CCN1CCOCC1)-c1ccc(Cl)cc1

COc1cccc(c1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1

Cc1cc(=O)[nH]c(CCl)n1

Oc1ccccc1CNc1ccc(OC(F)(F)F)cc1

Fc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cnccn2)c1

CSc1nc(Cc2ccccc2)cc(=O)[nH]1

CC(=O)Nc1nn(C)c2nc(C)cc(C)c12

O=C(CCn1c2ccccc2oc1=S)NC1CCCCCC1

Fc1ccc(CNCc2ccccc2Cl)cc1

Cn1c(n[nH]c1=S)-c1sccc1OCc1cccc(c1)C(F)(F)F

Cn1nc(c(C(=O)NCC=C)c1Cl)C(F)(F)F

COc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1

FC(F)(F)c1ccc(NC=C2SC3CCC(=O)N3C2=O)cc1 |w:9.8|

OC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1

CC(=O)Cn1ncc(Br)c(Br)c1=O

OC(=O)COc1ccc(C=NNC(=O)c2ccccc2Br)cc1

CC(=O)Nc1ccc(cc1Cl)-c1nnn(CC(=O)Nc2ccc3OCOc3c2)n1

Cn1c(Sc2ncnn2CC(=O)N2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12

COc1cc(OC)c2C3C(CON3C)COc2c1

CN(C)\C=C\C(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl

Cl\C(C(=O)Nc1ccccc1Cl)=C(\Cl)S(=O)c1ccccc1

Cc1ccc(NN=C(C=O)C(=O)c2ccc(Cl)cc2)cc1 |w:6.5|

N#Cc1cccn1-c1nccs1

COc1ccc(cc1)\N=C1/SC(CC(=O)N1C)C(=O)N1CCN(CC1)c1ccccc1

Cc1ccc(CON=Cc2c(O)cc(C)oc2=O)cc1 |w:7.6|

CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1

CNC(=O)NC(=S)NC(=O)c1ccccc1Cl

COc1ccc(OC)c(c1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O |(11.62,-7.9,;11.62,-6.36,;10.29,-5.59,;8.95,-6.36,;7.62,-5.59,;7.62,-4.05,;6.29,-3.28,;4.95,-4.05,;8.95,-3.28,;10.29,-4.05,;8.95,-1.74,;10.29,-.97,;11.62,-1.74,;10.29,.57,;8.95,1.34,;8.95,2.88,;7.62,.57,;6.29,1.34,;6.29,2.88,;7.53,3.78,;7.06,5.25,;5.52,5.25,;5.04,3.78,;4.61,6.49,;5.24,7.9,;3.08,6.33,;7.62,-.97,;6.29,-1.74,)|

Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12

Clc1cccc(Cl)c1Cn1n(-c2ccccc2)c2ncccc2c1=O

COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1

Cc1ccc(cc1)-n1ncc(Br)c(Br)c1=O

CC1CN(CC(C)O1)C(=O)Nc1ccc2OCCOc2c1

Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C

[H]C12CCN(CC1)\C(=C/c1ccccc1C(F)(F)F)C2O |TLB:20:19:2.3:6.5,THB:8:7:2.3:6.5,(7.41,1.5,;6.92,2.96,;6.35,5.03,;5.01,4.26,;6.52,1.47,;3.85,-.07,;3.08,1.26,;9.34,.3,;10.11,-1.03,;9.34,-2.37,;10.11,-3.7,;9.34,-5.03,;7.8,-5.03,;7.03,-3.7,;7.8,-2.37,;7.03,-1.03,;5.7,-1.8,;6.26,.3,;8.36,-.26,;9.74,1.79,;11.07,2.56,)|

CN1CCN(CC1)c1ccc(cc1)-c1ccc2ccccc2n1

COC1=CC(=O)OC1=CNc1ccc(cc1)C(O)=O |w:8.9,t:2|

NC(=O)Cc1ccc(s1)C(=O)c1ccc(Cl)cc1

CN(C)\C=C\C(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1

OC(=O)C1CSC(N1)c1ccc2OCOc2c1

CC(C)CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CNC(=O)c1cccs1

CC(=NOCC(=O)Nn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 |w:2.2|

COc1ccc2cc3c(N)nn(C(=O)Cc4c[nH]c5ccccc45)c3nc2c1

O=c1[nH]c2ccccc2n2cnnc12

CC\N=C1\S\C(=C/c2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N1CC

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1

OC(=O)c1cccc(NC(=S)NN=Cc2cccnc2)c1 |w:12.11|

OC(=O)c1cccc(c1)N=NCC1=C(Cl)c2cc(Cl)ccc2SC1 |w:9.9,c:13|

[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1

CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccco3)c(=O)c2c1

NNC(=O)c1ccc(N2CCc3ccccc23)c(c1)[N+]([O-])=O

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

O=C1C=CC(=O)N1c1ccc2OCC(=O)Nc2c1 |c:2|

Cc1ccc(cc1)-c1cc2c(N=O)c3ccccc3c2n[nH]1

Fc1ccc(NN=C2CCS(=O)(=O)c3sccc23)cc1 |w:6.5|

O=c1[nH]cc([nH]1)S(=O)(=O)c1ccccc1

S=C(NN=C1CCc2ccccc12)NC1CCCCC1 |w:3.2|

CCc1cc[n+](CC(=O)Nc2ccc(Cl)cc2Cl)cc1

CCn1c(SCC(=O)N(C)C2CCS(=O)(=O)C2)nnc1-c1cccs1

CC1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccccc1

OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)OCC=C)c2ccc(cc2)C#C)cc1 |c:11|

COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1

COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O

Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|

CC(Nc1nc(C)c(s1)C(=O)Nc1ccccc1)c1ccccc1

COC(=O)c1ccc(CNC(=O)COC(=O)COc2ccc(OC)cc2)cc1

CC(C)NC(=O)COC(=O)C1CSC2(CCC(=O)N12)c1ccc(Br)cc1

ClCC(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl |w:4.3|

ClCC(=O)Nc1ccc(cc1)-c1ccccc1

[#6]-[#8]-c1ccc(cc1)-[#6]-1-[#7]-[#6](=S)-[#7]=[#6]2-[#6]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]-1\[#16]-[#6]-[#6]-[#16]-1 |c:13|

Fc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccnc1Cl

S=C1Cc2ccccc2N1

Cc1cc(C)nc(N[NH+]=C2CC(C)(C)CC(=C2)N2CCCCC2)n1 |w:8.7,c:15|

CCN(CC)P(=O)(NC(=O)c1cccn1C)N(CC)CC

NC(=O)COC(=O)c1ccccc1Oc1ccccc1

Brc1ccc(\C=C\C(=O)NCCCN2CCOCC2)o1

CN=c1scc(-c2ccccc2F)n1N=Cc1ccc[nH]1 |w:14.15,1.0|

CCn1nc(C(=O)OCC(=O)NC(C)C)c2ccccc2c1=O

CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=NNC(=O)CC2)c1C |t:16|

COc1ccccc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O

CC1N(C(=O)N(CC(=O)NC(N)=O)C1=O)c1ccc(C)cc1

O=C(NN=Cc1ccc[nH]1)c1ccc(COc2cccc3cccnc23)cc1 |w:3.2|

Cc1cccc(C)c1NC(=O)CN1C(=O)NC(C)(CCc2ccccc2)C1=O

COc1ccc(CC(C)=NNC(=S)Nc2ccccc2F)cc1 |w:9.9|

CC1CCN(CC(=O)c2cccs2)CC1

COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl

NC(=O)C1CCN(CC1)c1ccnc2cc(Cl)ccc12

CC(C)c1ccccc1-n1c(n[nH]c1=S)-c1cccnc1 |(3.54,-3.29,;4.07,-1.84,;3.08,-.66,;5.59,-1.57,;5.59,-3.11,;6.92,-3.88,;8.25,-3.11,;8.25,-1.57,;6.92,-.8,;6.92,.74,;8.17,1.64,;7.69,3.11,;6.15,3.11,;5.67,1.64,;4.21,1.17,;9.63,1.17,;9.95,-.34,;11.42,-.81,;12.56,.22,;12.24,1.72,;10.78,2.2,)|

COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N1CCc2ccccc12

NNC(=S)Nc1ccccc1Cl

[O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl

Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

ClCC(=O)Nc1ccccc1C(=O)c1ccccc1

Cc1cc(NC(=O)c2cc(C)ccc2C)n(n1)-c1nc(C)cc(C)n1

CCc1ccc(cc1)C(=O)NC(CCSC)C(=O)OC

Cc1ccccc1NC(=O)COC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

ClCC(=O)NC(Cc1ccccc1)c1ccccc1

CC(C)OCCCn1c(NN)nc2ccccc2c1=O

CC(=O)c1cccc(NC(=O)C2CN(CCc3ccccc3)C(=O)C2)c1

[O-][N+](=O)c1ccc(N2CCCC2)c2ccncc12

COCCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O

CCOc1ccc(NC(=O)COC(=O)C2(C)CC2(Cl)Cl)c(c1)[N+]([O-])=O

COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1

COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O

CCCCNC(=S)NNc1c(Cl)cc(Cl)cc1Cl

Fc1ccc(cc1)-c1nn(cc1NC(=O)CCl)-c1ccccc1

N(N=Cc1ccccn1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|

COc1ccc(NC(=O)COc2ccc(\C=C\C)cc2OC)cc1OC

CSc1ccccc1C(=O)N1CCN(CC1)c1ncccn1

CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)NCc1ccccc1

Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1-c1ccc2OCCOc2c1

Cc1[nH]c2ccccc2c1C(C[N+]([O-])=O)c1cccs1

[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2ccc(-[#8]-[#6](F)F)cc2)-[#6](=O)-[#6]1

Cc1ccc(C)c(c1)C(=O)COC(=O)CCCNC(N)=O

CCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O

CCN(CC)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1

COc1cccc(CN(C)CC(=O)Nc2cccc(c2)C(F)(F)F)c1OC

COc1ccc2ccccc2c1C=Nn1c(O)csc1=S |w:13.15|

CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(=O)[nH]c1=O

OC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1

Nc1cccc2C(=O)N(C(=O)c3ccccc3Cl)C(=O)c12

COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NC(C)c1ccccc1

COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C

COc1cc(C=NNC(=O)c2cc(C)oc2C)ccc1O |w:6.6|

O=C(CN1CCC(=CC1)c1ccccc1)NC(=O)NCc1ccccc1 |c:6|

COCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1

ClCC(=O)N(C\C=C\c1ccccc1)c1ccc2OCCOc2c1

OC(=O)c1csc(n1)-c1ccccc1

CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C

Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1

O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccn1

CN1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)nc1

FC(F)S(=O)(=O)c1ccc(NC(=O)Cc2ccsc2)cc1

COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3CCCc3c2)cc1

C=CCNC1=NN=C(CS1)c1ccc2OCCOc2c1 |c:6,t:4|

COc1ccc(cc1OC)-c1nn(cc1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1

COc1ccc(NC(=O)CSc2nc(C)cs2)cc1

Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1Cc1ccco1

Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(F)cc1

CCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1

CCN(C1CCCCC1)C(=O)COC(=O)\C=C\c1ccccc1

COc1cccc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1

Cc1ccc(\C=C\C(=O)OCC(=O)NCCN2C(=O)CSC2=O)o1

CC(N1CCN(CC1)C(=O)CCl)c1ccccc1

COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1

Cc1cc(=O)[nH]c(NN=C2CCC(CC2)C(C)(C)C)n1 |(16.42,-.49,;15.08,.28,;15.08,1.82,;13.75,2.59,;13.75,4.13,;12.42,1.82,;12.42,.28,;11.08,-.49,;9.75,.28,;8.41,-.49,;8.41,-2.03,;7.08,-2.8,;5.75,-2.03,;5.75,-.49,;7.08,.28,;4.41,-2.8,;3.08,-3.57,;3.64,-1.46,;5.18,-4.13,;13.75,-.49,)|

COc1ccc(cc1C(=O)OCC(=O)NC(C)(C)C)S(=O)(=O)N1CCCCCC1

Cc1ccc(CN=Nc2ccc(cc2)C(O)=O)s1 |w:7.7|

ClCC(=O)N(C1CCCCC1)c1ccccc1

O=C(N1CCOCC1)c1ccc(s1)-c1nc2ccccc2s1

OC(=O)CCn1cc(C=C2NC(=S)N(C2=O)c2ccccc2)c(n1)-c1ccc(Br)cc1 |w:8.7|

O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccn1

Cc1cccc(c1)N(Cc1ccccc1)C(=O)CCl

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl

O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccco1

Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCC2)CC1

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2OCOc2c1 |w:14.16|

CN(Cc1cn(nc1-c1ccc(C)c(C)c1)-c1ccccc1)C(=O)CCC(O)=O

C(N=Nc1ccc2ccccc2n1)c1ccc2OCCOc2c1 |w:2.2|

Clc1cc(CN2CCOCC2)c(OC(=O)c2ccccc2Br)c2ncccc12

COc1cc(SC)ccc1C(=O)OCC(=O)NC1CCCC1

FC(F)Oc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1

CCOc1ccc(cc1)-n1c(O)c(CN=Nc2nnc(C)c(=O)[nH]2)c2ccccc2c1=O |w:14.14|

CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1

Oc1ccc(cc1)C(=O)NN=Cc1cccc(c1)C(F)(F)F

COc1ccc(\C=C\C(=O)N2CCC(CC2)C(N)=O)cc1S(=O)(=O)N1CCOCC1

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NCC(=O)Nc1cccc(c1)S(N)(=O)=O)(C2)C3 |TLB:8:6:30:1.29.2,8:1:30:6.9.5,THB:2:1:9:3.30.5|

COc1ccc(cc1)N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1c(C)nn(C)c1C

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1

CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCCCN=C1NS(=O)(=O)c2ccccc12 |w:18.18|

CN(C)c1ccc(cc1)-c1nc2N=C3CC(C)(C)CC(=O)C3C(c3cccnc3)n2n1 |t:13|

COc1ccc(cc1-c1nnc2c3ccccc3c(C)nn12)S(=O)(=O)N1CCN(CCO)CC1

CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccc2OCOc2c1

O=C(N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1)c1ccco1

CCc1ccccc1-n1c(SCC(=O)Nc2ccc3OCCOc3c2)nc2n[nH]cc2c1=O |(9.75,2.64,;8.41,1.87,;7.08,2.64,;7.08,4.18,;5.75,4.95,;4.41,4.18,;4.41,2.64,;5.75,1.87,;5.75,.33,;7.08,-.44,;8.41,.33,;9.75,-.44,;11.08,.33,;11.08,1.87,;12.42,-.44,;13.75,.33,;13.75,1.87,;15.08,2.64,;16.42,1.87,;17.79,2.7,;19.19,1.91,;19.19,.3,;17.79,-.49,;16.42,.33,;15.08,-.44,;7.08,-1.98,;5.75,-2.75,;5.43,-4.24,;3.9,-4.4,;3.28,-3,;4.41,-1.98,;4.41,-.44,;3.08,.33,)|

Cc1cccc(NC(=O)Cn2c3sc4COC(C)(C)Cc4c3c(=N)n(Cc3ccco3)c2=O)c1

Cc1ccc(o1)C1C(C#N)C(=N)Oc2[nH]nc(CSc3ccc(C)cc3)c12

Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1

COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1

CC(=NNC(=O)C(N)=O)c1ccc(O)cc1O |w:2.2|

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

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

OC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F

CCOC(=O)c1c(C)c(sc1NC(=O)CNC1CCCc2ccccc12)C(N)=O

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc2OCOc2c1)C(=O)NCc1ccccc1 |c:5|

O=C(Nc1ccc(cc1)N1CCOCC1)c1cc(nc2ccccc12)-c1ccncc1

COCCn1c(N)c(Sc2ccccc2[N+]([O-])=O)c(=O)[nH]c1=O

C[C@H](N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1nc2c(C)cccc2s1 |c:7|

COc1ccc2oc(=O)c(cc2c1)N1C(=O)c2ccccc2C1=O

[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|

OC(=O)CCSc1ncnc2sc(cc12)-c1ccccc1

NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12

Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C(O)=O

CCCc1nnc(NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)s1

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2ccncc2)CC1

CC(C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(c1)[N+]([O-])=O

Cc1ccccc1-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:12.13,(8.41,-4.71,;9.75,-5.48,;9.75,-7.02,;11.08,-7.79,;12.42,-7.02,;12.42,-5.48,;11.08,-4.71,;11.08,-3.17,;9.75,-2.4,;8.41,-3.17,;9.75,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;5.75,4.53,;4.41,3.76,;3.08,4.53,;3.08,6.07,;4.41,6.84,;5.75,6.07,;7.08,6.84,;11.08,-.09,;11.08,1.45,;12.42,-.86,;12.42,-2.4,;13.75,-3.17,)|

O=C1N=C(S\C1=C/C=C/c1ccccc1)N1CCCC1 |c:2|

OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O

CC(N=O)C1CCCCC1

C=CCNc1nnnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21

OCCCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N

C(c1ccccc1)n1c[n+](Cc2ccccc2)cn1

CC(CCc1ccccc1)N(CC=C)CC(O)c1cccc(c1)[N+]([O-])=O

Fc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1

COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|

COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1 |w:22.25|

CCCC[N+]12CCC(CC1)C(C2)C(O)(c1ccccc1)c1ccccc1 |THB:12:10:5.6:9.8|

FC(F)(F)c1ccc(cc1)C1=NOC(C1)C(=O)NCc1ccccc1C(F)(F)F |t:11|

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(O)=O

Cc1cc(C)cc(SCc2noc(C(=O)NCc3ccccc3)c2C(=O)NCc2ccccc2)c1

CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:14.30|

CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1

CCCCc1[nH]nc2CC(C)(C)CC(=NOCC)c12 |w:14.14|

Cc1cc(c2[CH-]C=CC=c2[n+]1=O)[N+]([O-])=O |c:6,8|

CCOc1ccc(cc1)-c1cnc2ccccc2n1

CN1CCc2c(C1)sc(N=Cc1cc(ccc1O)C(C)(C)C)c2C#N |w:9.9|

CCOP(=O)(OCC)c1cccc(OP(=O)(c2cccc(c2)[N+]([O-])=O)c2cccc(c2)[N+]([O-])=O)c1

Nc1cccc(\C=C\C(O)=O)c1

Cc1nc2c(sc3nc(N4CCOCC4)c4COC(C)(C)Cc4c23)c(-c2ccc(Cl)cc2)c1C(O)=O

[O-][N+](=O)c1ncccc1OCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1

OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl

NS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1

COc1ccc2[nH]c3c(ncn(CCCN4CCOCC4)c3=O)c2c1

CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(c1)S(N)(=O)=O

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccc(o1)-c1ccc(Cl)cc1

COc1ccc(cc1OC)C(CC=C)Nc1ccccc1

CN1Cc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2CC1(C)C

CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOC)c1=NC(C)=O |w:25.28|

N(c1cccc2ccccc12)c1nc(nc2ccccc12)-c1ccncc1

CC(=O)Cc1c[nH]c2ccccc12

[O-][N+](=O)c1ccc(SCCc2cc[nH+]cc2)cc1

S=C(NN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1

COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F

Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(C)nc2ccccc2c1=O |w:13.15|

COc1ccc2nc(COC(=O)c3cccs3)c(C(C)=O)[n+]([O-])c2c1

C[C+]([N-]NC1=[NH+]CC[N-]1)c1ccc(N)c(c1)[N+]([O-])=O |t:4|

COc1ccccc1Nc1nc(NCCCN(C)C)nc(N)c1[N+]([O-])=O

[H]C12CCC([H])(C1)C(C2)NC(=S)N1CCN(CC1C)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |TLB:9:7:6:3.2|

CC1(C)Cc2c(CO1)sc1nc(C3CC3)n(N)c(=O)c21

CC1(C)Cc2c(CO1)c(nc(NCCO)c2C#N)-c1ccco1

COC(=O)[C@H](C)NC(=O)NCCC1=CCCCC1 |t:12|

CCC(CNc1cc(OC)cc2cccnc12)NC1CCCCC1

CC(C)c1ccc(cc1)-c1nc2ccccc2s1

CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1ccc(N)cc1

Nc1ncnc2n(nc(CC#N)c12)-c1ccccc1

O=C1NC(=O)C2(CCc3ccccc23)N1

CC(C)Oc1ccc(cc1)C(O)=O

ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|

Cn1ccc(OCC=C)nc1=O

COc1ccc(cc1OC)C1C=C(Oc2c1c(=O)oc1ccccc21)c1ccc(OC)c(OC)c1 |c:12|

Oc1c(C=N)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1

CC(C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(O)=O

CCOC(=O)Cc1cc(O)c2cc(C)ccc2n1

NC(=O)CCC(N1C(=O)c2ccc(O)cc2C1=O)C(O)=O

CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1

[O-][N+](=O)c1cnc(Sc2ccncn2)s1

Nc1nc(NCc2ccco2)nc(NC2CCCCC2)c1[N+]([O-])=O

Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1ccccc1)C([O-])=O

C(N=Nc1nc2ccccc2s1)c1ccccn1 |w:2.2|

Cc1n(c(C)c2c(C)nnc(C)c12)-c1ccc(N)c(C)c1

Cn1nc(-c2ccc(NCCCO)c(c2)[N+]([O-])=O)c2ccccc2c1=O

[#6]-[#6]-[#7]-[#6](=S)-[#7](-[#6])-[#6]-[#6]-c1cc2-[#8]-[#6]-[#8]-c2c(-[#8]-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O

Cn1c(N)c(sc1=S)C(=O)Nc1ccc(cc1)-c1ccccc1

CC(=NNC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccs1 |w:2.2|

COc1ccc(CNC(=O)c2sc(=S)n(c2N)-c2ccccc2)cc1

CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:1.0|

CS(=O)(=O)Nc1nc2ccccc2[nH]1

OCCOCCNc1nc2sc3CCCCCc3c2c(=O)n1Cc1ccco1

Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1

CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1 |w:13.15,3.3|

Cc1ccc(C(=O)ON=C(N)c2ccccc2)c(Cl)c1 |w:8.7|

c1ccc(nc1)-c1nnn[nH]1

C(Nc1nc(nc2ccccc12)N1CCN(Cc2ccccc2)CC1)c1ccccc1

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:14.16|

O=C(CSC(=S)N1CCCCC1)Nc1ncc2C(=O)CCCc2n1

Cc1ccc(cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccs1

CC(Cc1ccccc1)=NNC(=O)CNC(=O)Cc1ccc(Cl)cc1 |w:9.10|

OC(=O)c1cccc(COc2ccc3CCCc3c2)c1

CC1=NN(C(N)=S)C(C)(C)C1 |t:1|

Nc1cc(=O)[nH]c(SCC=C)n1

Nc1ccccc1C(=O)NNC1=C(CCC1)C(=O)C(F)(F)F |t:12|

Clc1ccc(Nc2ccc(Cl)nn2)cc1

O=NC1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1

O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)N1CCOCC1

CCOC(=O)c1c(CSCc2ccccc2)oc2ccc(O)c(CN(C)C)c12

Oc1ccc(cc1O)C(=O)OCCCN1CCOCC1

CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1

CN(C1CCCCC1)c1ncnc2n(ncc12)-c1cccc(C)c1

COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1

NNC(=O)c1nn(cc1O)-c1ccc(Cl)cc1

CCOCCn1c(SCC(=O)OCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

Cc1cc(Cl)ccc1OCC(=O)Nc1nc(cs1)-c1cccnc1

Oc1ccccc1CN=Nc1nnn[nH]1 |w:8.8|

COC(=O)C1C(c2cccc(O)c2)c2c(N=C1C)n(C)c(=O)n(C)c2=O |c:16|

CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NCc1cccs1

OC(=O)CCN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O

OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|

COc1ccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc1OC |w:7.7|

OC(=O)c1ccccc1C=NNC(=O)CSc1nc2ccccc2s1

Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(OCC(O)=O)c(Cl)c3)c12 |w:15.15|

[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2ccncc2)c1

COc1c[c-](\C=[NH+]\NC(=O)c2cncc(Br)c2)cc([N+]([O-])=O)c1=O

Cc1ccc2oc(N=C(N)NC(=O)C(C)(C)C)nc2c1 |w:7.6|

ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1

O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1

CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)Cc1ccc(O)cc1

CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1

OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2ccc3OCOc3c2)cc1 |c:11|

CC(=C)C(=O)O[C@H]1CC(C)=CC(=O)C=C(C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]12 |w:13.12,10.10|

C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|

[H][C@]12[C@@H](O)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C(O)C(=O)C[C@@]4(C)C4C(O)[C@H](O)[C@@]1(OC[C@@]234)C(=O)OC |t:13|

[H][C@@]12N(C)c3ccccc3[C@@]11C[C@H](N(C(=O)CC(C)C)C1=NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:23,29|

COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccc(OC)cc1)c1ccccc1 |c:27,t:7,9|

CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(N(CCc3ccccn3)C=C2C1=O)c1ccc(cc1)C#N |c:18,30,t:16|

Cc1ccc(cc1NC(=O)c1ccno1)C(=O)Nc1cccc(c1)C(F)(F)F

COc1cc(NC(=O)c2cc3cccc(OC)c3o2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1N |(12.42,-.73,;10.88,-.73,;9.98,-1.97,;10.46,-3.44,;10.93,-4.9,;8.52,-1.5,;7.19,-2.27,;5.85,-1.5,;4.48,-2.33,;3.08,-1.53,;3.08,.07,;4.48,.86,;5.85,.04,;7.19,.81,;8.52,.04,;9.98,.51,;10.46,1.97,;11.96,2.29,;12.44,3.75,;11.41,4.9,;9.91,4.58,;9.43,3.12,;7.92,2.8,)|

CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1cccc(Br)c1

CNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1

COc1ccc2C(Nc3ccc(cc3)S(=O)(=O)NC(N)=N)OC(=O)c2c1OC

CCc1ccn2cc(nc2c1)-c1cc(no1)-c1ccccc1

CN(C)c1ccc(cc1)C1Nc2ccccc2C(=O)N1CCCN1CCOCC1

O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCOc2c1

CC(C)(C)c1ccccc1NC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1

O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1

Cc1noc(C)c1C(=O)N1CCC(CC1)C(=O)c1ccccc1

COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC

CSc1nc2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc2s1

Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1

Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C |w:8.9|

COc1ccc2nnc(-c3ccc(cc3)C(F)(F)F)n2n1

Cc1ccccc1CON=Cc1[nH]ncc1Br |w:9.9|

CCOc1ccc(cc1)N1CSC(=S)N(C1)c1ccc(OCC)cc1

COc1ccc(CCNCC(O)Cn2ccc3ccccc23)cc1OC

Cc1nc2n(cnc2c(=O)n1NC(=O)CN1CCOCC1)-c1ccccc1

Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c1

Cc1onc(c1C(=O)c1ccccc1)-c1c(F)cccc1Cl |(7.42,3.93,;6.52,2.68,;4.98,2.68,;4.5,1.22,;5.75,.31,;6.99,1.22,;8.46,.74,;9.49,-.4,;9.6,1.77,;11.07,1.3,;12.21,2.33,;11.89,3.83,;10.43,4.31,;9.28,3.28,;5.75,-1.23,;7.08,-2,;8.62,-2,;7.08,-3.54,;5.75,-4.31,;4.41,-3.54,;4.41,-2,;3.08,-1.23,)|

CC(=O)c1cnn(c1C)-c1c(Cl)cc(Cl)cc1Cl |(6.8,5.59,;7.42,4.18,;8.95,4.02,;6.52,2.94,;4.98,2.94,;4.5,1.47,;5.75,.57,;6.99,1.47,;8.46,1,;5.75,-.97,;4.41,-1.74,;3.08,-.97,;4.41,-3.28,;5.75,-4.05,;5.75,-5.59,;7.08,-3.28,;7.08,-1.74,;8.41,-.97,)|

Clc1ccc(NS(=O)(=O)c2ccc(Oc3c(cccc3C#N)C#N)cc2)cc1

CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1

CCCCNc1nc2cccnc2s1

Cc1cc(C)c(\N=C2/SCC(=O)N2Cc2ccco2)c(C)c1

CC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl

Cn1ncc2c(ON=C(N)c3ccc(cc3)C(C)(C)C)ncnc12 |w:7.6|

[H]C12CC(NC(=S)NN)C([H])(C1)C1C=CCC21 |c:14,TLB:13:12:11:3.2,THB:4:3:16.12:11,15:16:11:3.2|

Fc1ccc(cc1)C(=O)Oc1cc(=O)oc2c3cccc4CCn(c34)c(=O)c12

COC(=O)CCN1CCc2cc(ccc12)\N=N\c1ccc(cc1)[N+]([O-])=O

CCOC(=C)c1sc(S)nc1O

CN1N=C2C(CCc3ccccc23)C1c1ccc(cc1)C(F)(F)F |c:2|

Cc1cc(C)c(NC2=NC3(CCCCC3)C(=C)S2)c(C)c1 |t:7|

S=C1SCN(Cc2cccnc2)CN1Cc1cccnc1

CN(NC1OC(=O)c2ccccc12)c1ccc(cc1[N+]([O-])=O)C(F)(F)F

Cc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)c(o1)C(F)(F)F

OC(=O)\C=C\C(=O)Nc1cc(F)ccc1F

Cc1cc(nn1C(C)(C)C)C(=O)NNS(=O)(=O)c1ccc(F)cc1

Cc1nc2ccccn2c1-c1ccnn1S(=O)(=O)c1ccc(F)cc1 |(9.64,-1.83,;8.1,-1.83,;7.2,-3.07,;5.75,-2.6,;4.41,-3.37,;3.08,-2.6,;3.08,-1.06,;4.41,-.29,;5.75,-1.06,;7.2,-.59,;7.68,.88,;6.78,2.12,;7.69,3.37,;9.15,2.89,;9.15,1.35,;10.39,.44,;11.3,1.69,;9.49,-.8,;11.64,-.47,;11.47,-2,;12.72,-2.9,;14.13,-2.28,;15.37,-3.19,;14.29,-.75,;13.05,.16,)|

OC(=O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1Cl

Cc1cc(cc(CN2CCCC2)c1O)N=Nc1ccc(Cl)cc1 |w:14.15|

COc1nc(N)c(C#N)c(-c2ccc(cc2)N(C)CCC#N)c1C#N

O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|

OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5[nH]ccc45)c3)cc2C(F)(F)F)CC1

Cc1ccc(C=CC(=O)Nc2ccc(O)c3c2oc(cc3=O)-c2ccccc2Cl)cc1 |w:6.6|

NC(=O)c1cc2ccncc2c2ccccc12

CCCC[C@@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12

CCOC(=O)C1=C(C)N(CCC(O)=O)C(=O)NC1c1ccccc1Cl |c:5|

COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccc(cc1)C#N |c:4|

CC1(C=CC2(CCCCC2)N1C(=O)c1ccccc1)C(=O)NCCCNc1ncc(cc1Cl)C(F)(F)F |c:2|

COc1cc(CCCN2CCNC[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC

Oc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12

Oc1ccc2ccccc2c1NS(=O)(=O)c1cccc2ccccc12

COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1

FC(F)(F)[C@]1(C[C@H](CCc2ccccc2)CCCO1)C(=O)NCc1ccccc1

Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

CCC1=Nc2ncnn2C(C1)c1ccccc1 |t:2|

COc1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O

COc1ccc(CCNC(=O)c2cccc(c2)[N+]([O-])=O)cc1OC

CCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12

Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1

COc1ccc(NS(=O)(=O)c2ccc(s2)-c2ccccn2)cc1

O=c1o[nH]c(c1-c1ccccc1)-c1ccccc1

Oc1ccc2oc(c(C=O)c2c1)-c1ccc(Cl)cc1

COc1nc(-c2ccccc2)c2cc(Br)ccc2n1

Fc1cccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1

CCN(C(=O)Cn1c(C)ncc1[N+]([O-])=O)c1ccccc1

Cn1c(cc2cc(OCc3ccccc3)ccc12)C(=O)NN

COc1ccc(cc1)-n1cc([N+]([O-])=O)c(=O)c2ccc(Cl)cc12

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(cc1)N(CC(O)=O)S(C)(=O)=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|

CCOc1ccc(CNC(c2ccccc2)c2ccccc2)cc1

O=C(CCC1CCCNC1)c1ccccc1

[O-][N+](=O)c1ccccc1C(=O)CC(=O)c1ccccc1

CN(c1ccccc1)c1ncccn1

COc1ccc(OC)c(c1)-c1cc(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c2ccccc2n1

CCCCOc1ccc(cc1)N=Cc1ccc[nH]1 |w:11.11|

Fc1ccc(CC(=O)Oc2ccc(C=O)cc2)cc1

COC(=O)C1=CN(C=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OC)c1ccc(F)c(F)c1 |c:7,t:4|

CSc1nsc(SCC(=O)NCc2ccc(C)cc2)n1

COc1ccccc1CN1CCCC(CN(CCN(C)C)C(=O)C2CCCC2)C1

CC1CCN(CC(=O)NC2CCCCC2)CC1

[O-][N+](=O)c1ccc(nc1)N1CCN(Cc2ccc3OCOc3c2)CC1

CCOc1nc(C)ccc1-c1noc(n1)-c1cccnc1

COc1ccc(cc1OC)C(=O)C1CCCN(Cc2ccc(NC(C)=O)cc2)C1

COc1ccc(OC)c(c1)N=CCC(=O)c1ccccc1 |w:10.10|

Cc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1

COc1cccc(CN(C)CC2CCCN(CCc3ccc(Cl)cc3)C2)c1OC

CC(CCCC(C)(C)O)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1

COc1cc(cc(OC)c1OC)C(=O)N(C)C1CCCN(Cc2ccccc2F)C1

CCOc1cc(ccc1OS(=O)(=O)c1ccc(OC)cc1)C(=S)N1CCOCC1

OC1(CCN(Cc2cccc(Br)c2)CC1)c1ccc(Br)cc1

COc1cc(N2N=C(CC2c2ccccc2)c2ccccc2)c(C=O)cc1C=O |c:6|

CC1(C)CC(=O)C=C(C1)Nc1ccc(Br)cc1F |c:6|

COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl

CC1CN(CC(O)COc2cc(C)cc(C)c2)CC(C)O1

CSc1nccn1C(=O)c1ccccc1[N+]([O-])=O

COc1ccc(CNC(C)CCc2ccccc2)cc1

Clc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1

COc1ccc(CN2CCC(=CC2)c2ccc(F)cc2)cc1Br |c:10|

Cc1oc(N=Cc2ccccc2)c(C#N)c1C

COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1

COc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3Cl)C2)cc1

CCOc1ccccc1N1CCN(CC(=O)NC(C)c2ccccc2)CC1

Clc1ccccc1NC(=O)NCCN1CCCCC1

COc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)NN)cc1

CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1

[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1ccc(CC)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|

Cc1ccc(c(OCCCN2CCC(Cc3ccccc3)CC2)c1)[N+]([O-])=O

CCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1

COC(=O)CCNC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1

COc1cccc(CC2(CO)CCN(CC2)S(=O)(=O)c2ccc(OC)cc2OC)c1

COCC(C)NC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1

COc1ccc(CC(C)Nc2cccc(SC)c2)cc1

[O-][N+](=O)c1ccc(NCCOc2ccccc2Cl)nc1

Fc1ccccc1C(=O)NCCNc1ccnc2cc(Cl)ccc12

COc1ccc(CCNCc2ccsc2)cc1OC

CCC(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

COC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C

COc1ccccc1N1CCN(CC1)C(=S)Nc1ccc(F)cc1

CC(=O)NC(Nc1nc(C)cc(C)n1)=Nc1ccc2ccccc2c1 |w:14.15|

Cc1ccccc1OCC(=O)Nc1ccc(cc1)[N+]([O-])=O

CC(C(=O)c1ccccc1)n1ccc(cc1)=[NH+]C(C)=O |(4.83,5.57,;3.49,6.34,;2.16,5.57,;.83,6.34,;2.16,4.03,;.83,3.26,;.83,1.72,;2.16,.95,;3.49,1.72,;3.49,3.26,;3.49,7.88,;2.16,8.65,;2.16,10.19,;3.49,10.96,;4.83,10.19,;4.83,8.65,;3.49,12.5,;4.83,13.28,;4.83,14.82,;6.16,12.5,)|

COc1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccn2)cc1OC

Cc1ccc(O)c(C=NNC(=O)CN2CCCC2)c1 |w:8.8|

OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1

Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1

NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1

Nc1nc(Oc2ccc(F)cc2)c(Br)c(=O)[nH]1

NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|

Cc1ccc(cc1)C(=O)Nc1ccc(cc1NC(=O)c1ccc(C)cc1)C(O)=O

OC1N(C(=O)c2ccccc12)c1ccccc1

Cn1c(nc2ccccc12)-c1nonc1N

CCOc1ccc(cc1)-c1cnc(NCc2cccc3ccccc23)n1CCOC

COc1ccc(cc1)-n1c(COc2cccc(C)c2)n[nH]c1=S

CN1CCN(CC1)C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

CN1C(=S)NC(=O)\C(=C/c2sccc2C)C1=O

CCCOc1ccc(CC(=O)NN=Cc2ccc(F)cc2)cc1

CCOc1cc(\C=C2\C(=O)N=C3SC(C)=NN3C2=N)ccc1OCCOc1ccccc1 |c:14,t:10|

CCc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O

CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(OC(C)=O)ccc12

CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1

COc1ccccc1Nc1ccc2nonc2c1[N+]([O-])=O

CCOc1c(C)cc(c(C)c1C)S(=O)(=O)NCc1cccnc1

COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1

Cc1ccc(NC(=O)CCN2CCCCC2)cc1

COc1ccc(NC(=O)c2cccnc2)cc1OCC(C)C

CC(C)(C)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

COc1cc(C=NN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC(C)=O

CCCC(C)NC(=O)C1c2ccccc2Oc2ccccc12

Cc1cc(-c2ccccc2)c2ccc(NC(=O)C(C)(C)C)nc2n1

Cn1c(Oc2cccc(O)c2)nc2n(C)c(=O)n(C)c(=O)c12

COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccccc1F)C(=O)OC |c:19,t:4|

OC(=O)c1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O

CCOc1ccc(CNCCCSc2ncccn2)cc1OC

CC(C)(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)Nc1ccccc1 |c:14|

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1

Cc1ccc2n(CC(O)CN3CCOCC3)c3CCCCc3c2c1

CC(C)Oc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1

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

CC(C)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1

Oc1cccc(NC(=O)c2cc(on2)-c2ccccc2Cl)c1

CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccn2)c1=O

Cc1cc(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(C)c1Cl |w:7.7|

CCCC(=O)NC(c1ccc(cc1)C(C)C)c1ccc2cccnc2c1O

CN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCCCC1

Cn1ncc(c1C(=O)Nc1ccccc1Cl)[N+]([O-])=O

CC[n+]1c(\C=C\c2cc(ccc2O)[N+]([O-])=O)ccc2ccccc12

CCN(CC)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCOc1ccccc1

CC(Sc1nnc(COc2ccc(C)cc2)n1-c1ccccc1)C(O)=O

CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N

OC(=O)CSc1nnc2c3ccccc3n(CC=C)c2n1

CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O

CCOC(=O)C1CCCN(CCC(=O)Nc2cc(OC)ccc2OC)C1

Clc1cccc(NC(=O)N2CCOCC2)c1

Cc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1

Nc1ccc2C(C(C#N)C(=N)Oc2c1)c1ccccc1Cl

COc1ccc(CN=Nc2nc(C)cc(=O)[nH]2)cc1OC |w:8.8|

CCOC(=O)c1cnc2ccc(cc2c1NCCCN1CCOCC1)C(=O)OC

[O-][N+](=O)c1cccc(c1)C(=O)N1CCc2ccccc12

[H]C12CCCC([H])(CC(C1)NC(=S)NCCC)N2Cc1ccc(F)cc1

CCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2F)c1=O

CC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1

NC(=O)C1CCN(CC(=O)Nc2nc(cs2)-c2ccccc2)CC1

CN1CCc2c(C1)[nH]c1ccc(C)cc21

Fc1ccc(NC(=S)NCc2ccccc2)cc1

CCOC(=O)C1(C)NC(c2c(O)n(c(O)c12)-c1ccccc1)c1ccc(O)cc1

Cc1ccc(c(C)c1C)S(=O)(=O)Nc1cccnc1

CCOc1ccc(C=NNC(=O)C(O)c2ccccc2)c(O)c1 |w:8.8|

CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1cccc(O)c1

CC(C)CC(=O)N1CCN(Cc2ccccc2C)CC1

Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(Cl)c1

Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc2c1=O

Cc1cccc(C)c1NC(=O)c1cccnc1

CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1

OC(=O)CN1C(=S)S\C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O

Cc1ccc2nc(-c3ccccc3NC(=O)CCC(O)=O)c(=O)[nH]c2c1

CN(C(=O)OC(C)(C)C)c1ccc(cc1)-c1nc2ccccc2s1

Cc1ccccc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12

CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O

COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C\C(O)=O)cc2)nc(OC)n1

COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)(C)N1C(=O)CCl

COc1ccc(cc1)[C@@H]1C[C@H](Oc2c(C)ccc(C(C)C)c12)c1ccccc1

COc1cccc(\C=C(/C#N)c2nc3ccccc3[nH]2)c1OCC(O)=O

CN(C)c1ccc(cc1)N1[C@@H](CC(C)=O)c2cc(F)ccc2S1(=O)=O

CC(C)(C)N1[C@@H](CC(O)=O)c2cc(ccc2S1(=O)=O)C(F)(F)F

Fc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1

[O-][N+](=O)c1cccc(CN2[C@@H](Cc3ccccc3)COCCS2(=O)=O)c1

OC(=O)c1cccc2cc(oc(=O)c12)-c1ccccc1

CC1(C)Cc2c(CO1)c(nc(SCCC#N)c2C#N)N1CCOCC1

CC(C)CC(NC(=O)C1CCCN1C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NCC(N)=O

COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2cccc(c2)C(O)=O)cc1

CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccncc1 |w:17.18|

CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(O)=O

COc1ccc(cc1)S(=O)(=O)C(C=Nc1cccc(OC)c1)C#N |w:13.14|

CSCCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C)C(O)=O |c:28,t:24|

Cn1c(\C=C\c2ccccc2)nc2ccccc2c1=O

CC(C)n1cc(CN=Nc2ccc(cc2)C(O)=O)c2ccccc12 |w:7.6|

CC(C)(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccccn2)cc1

Cc1cc(Nc2cccc(Cl)c2)nc(n1)-c1ccccc1O

CC(C)c1ccc2oc(=O)cc(CN3CCCCC3)c2c1

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:29.30,8.7,(12.42,-10.21,;11.08,-9.44,;10.31,-10.77,;11.85,-8.1,;9.75,-8.67,;9.75,-7.13,;11.08,-6.36,;8.41,-6.36,;8.41,-4.82,;7.08,-4.05,;5.75,-4.82,;4.41,-4.05,;3.08,-4.82,;3.08,-6.36,;4.41,-7.13,;5.75,-6.36,;9.75,-4.05,;11.08,-4.82,;9.75,-2.51,;11.08,-1.74,;11.08,-.2,;12.42,.57,;12.42,2.11,;11.08,2.88,;9.75,2.11,;9.75,.57,;11.08,4.42,;9.75,5.19,;12.42,5.19,;12.42,6.73,;11.08,7.5,;11.08,9.04,;9.75,9.81,;12.42,9.81,;13.75,7.5,;13.75,9.04,;15.08,6.73,)|

Cc1nc(sc1C1(C)CC(=NO1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1 |c:10|

OC1(CCCCC1)C#Cc1ccc2sc3ccccc3c(=O)c2c1

CCOC(=O)c1ccc(NC(=S)Nc2ccccc2N)cc1

Fc1ccccc1N1CCN(Cc2cc(on2)-c2ccccc2)CC1

CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1

CN(C)S(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1cc(C(=O)NN)c(C)nc1C

COc1ccc(cc1)N1C(c2c(O)ccc3ccccc23)C(C)(C)C1=O

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

CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccc(cc1)C(C)(C)C

COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1

CSc1ncc(C(=O)Nc2cccnc2)c(n1)C(F)(F)F

CCOC(=O)CSc1ccc(cc1[N+]([O-])=O)C(=O)NCCCN1CCOCC1

Cc1nc2c(cnn2c(N2CCOCC2)c1CC=C)-c1ccccc1

COC(=O)COc1ccc2C(=O)\C(Oc2c1C)=C\c1ccco1

COc1cc2CCN=C(CC(=O)c3ccc(C)cc3)c2cc1OC |t:7|

CCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C

OC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c2sc3CCCCc3c2c1=O

Cc1ncc(n1CC(=O)Nc1ccc(F)cc1)[N+]([O-])=O

OC(=O)c1ccc(CN2C(=O)c3cccc4c(ccc(C2=O)c34)[N+]([O-])=O)cc1

COc1ccc(cc1C)C(=O)CSc1nc(C)cc(=O)[nH]1

Cc1ccc(C)c(c1)N1CCN(CCN2CCCCC2)CC1

COc1cccc(NC(=O)Nc2nnc(Cc3ccccc3F)s2)c1

Brc1c[nH]c(c1)C(=O)N1CCSCC1

Cc1ccc(cc1)S(=O)(=O)c1ncccc1[N+]([O-])=O

[O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1

CC1COc2ccccc2N1C(=O)c1ccc(F)cc1

CN1CCN(CC1)c1ccc(NC(=O)N2CCc3ccccc23)cc1

Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C

[O-][N+](=O)c1ccccc1CCc1cnc(Cl)s1

Cc1nnsc1S(=O)c1ccc(Cl)c(Cl)c1

CCCCN(C)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F

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

CC(C)(C)C(CN1CCCC1)OC(=O)c1ccccc1

CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccc1 |w:13.13|

CCCC(NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O

COc1cccc(c1)-c1c(NC(C)=O)n(C)c2ccccc2c1=O

Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)cc(=O)oc12

OC(=O)c1cccc(Nc2ccnc(Nc3cccc(c3)C(O)=O)n2)c1

COc1cc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c(cc1OC)C(O)=O

COc1cccc(c1)-c1csc(NC(=O)Nc2ccccc2)n1

CN(C)c1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1

CCCN1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1

COc1cccc(c1)C(=O)CC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1

CC1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1F |t:8|

CC(C)c1ccc(OCCCN2CCCC2)cc1

Oc1ccc(Br)cc1CN=Nc1ccccn1 |w:9.9|

COc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:8.8|

Cc1ccc2c(c1)[N+](Cc1ccc(cc1)[N+]([O-])=O)=C[N-]S2(=O)=O |c:19|

Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(Br)cc1

COc1ccccc1C(O)(C(=O)N(NC(C)=O)c1ccccc1)c1ccccc1OC

CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1

COc1cccc(Nc2ccc(cc2N)C(O)=O)c1

CC(C)(C)c1ccc(cc1)C(=O)NCCOc1ccccc1F

CCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1

COc1ccc(C=O)cc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O

COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl

Cc1cccc(C)c1OCC(=O)NCc1ccccc1

CCC(C)c1ccc(OCc2ccc(o2)C(O)=O)cc1

Cc1cc(C)cc(c1)-n1c(O)cn(Cc2ccccc2)c1=S

COc1cc(NS(=O)(=O)c2csc(c2)C(N)=O)cc(OC)c1

CNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1cccnc1

COc1cccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)=O)c1

Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(OCC=C)cc2)c(=O)n(-c2ccccc2)n1C

O=C(Cn1nc(ccc1=O)-c1ccccc1)N1CCCCC1

COc1ccc(C=NN(C)C2=NCCN2)c(OC)c1OC |t:10|

CCn1c(C(O)=O)c(CC(=O)Nc2ccccc2OC)c2ccccc12

COc1cc(ccc1O)C1C(C#N)C(=N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 |c:20|

CN1CCN(CC1)c1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1

ClCC(=O)N(Cc1ccccc1OCC=C)c1ccc2OCOc2c1

CCNC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12

[O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1ncc(Br)cn1

CCOC(=O)Cc1csc(NC(=O)Nc2cccs2)n1

CC(=O)Nc1ccc(cc1)-c1cn2CCSc2n1

N#C\C(=C/c1ccccn1)c1ccccn1

CCCS(=O)(=O)c1cnc(nc1N)C1COc2ccccc2O1

CCc1ccc(cc1)C(CNc1nc(nc2ccccc12)C(F)(F)F)N(C)C

Cc1ccc(F)cc1NC(=O)CCNC(=O)c1ccc(cc1)[N+]([O-])=O

CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc2OCCOc2c1

CC(=O)Nc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O

O=C(NCCc1ccccc1)c1ccc2OCCCOc2c1

COc1ccccc1C1NC(=O)CCC1[N+]([O-])=O

CCOC(=O)CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1

CCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccco1 |w:3.3|

O=C(Nc1ccc(CC#N)cc1)Nc1cccc2ccccc12

[O-][N+](=O)c1ccc(Nc2ccc(F)cc2)cc1

COc1ccc(cc1)-n1c(C)c(C)c2c(N)ncnc12

COc1cccc(\C=C\C(=O)NCc2ccc3OCOc3c2)c1

Cc1onc(c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1C)-c1ccccc1

COC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1sc2ccccc2c1Cl

CCc1nnc(N=NCc2ccc(OC(C)=O)c(OC)c2)n1N |w:6.5|

CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O

ClCC(=O)N1CCCC1c1ccc2OCCOc2c1

Oc1ccccc1N1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12

CC(C)(C)c1ccc(Cn2c3ccccc3ncc2=O)cc1

OC(=O)c1cc(nc2ccccc12)-c1cccc2ccccc12

Nc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1

O=C(C#Cc1ccccc1)c1ccco1

Oc1ccc(CC(=O)NC2CCCCCC2)cc1

Cc1ccc2=NC(=O)C(NNc3ccccc3C)=c2c1 |c:18,t:4|

FC(F)(F)c1ccc(cc1)[C@H]1C[C@H](NS(=O)(=O)O1)c1ccccc1

CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1cc(C)on1

Cc1cc(C)cc(OCC(O)CN2CCN(CC2)C(=O)c2ccco2)c1

Cc1ccc(cc1C)-c1cn(-c2ccccc2)c(=S)[nH]1

Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(Cl)c1

Oc1cc2ccccc2c(=O)n1-c1cccc(Cl)c1

CCc1cccc2c(c[nH]c12)-c1csc(NCCOC)n1

COc1ccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1OC

CCCOc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1

CC(C)(C)c1ccc(C=Nn2c(O)csc2=S)cc1 |w:9.9|

CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(cc1)C(C)(C)C |w:2.2|

CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1

COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|

CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1

COc1ccc(\C=C\C(=O)Nc2ccccc2C(=O)NCC(N(C)C)c2ccc(OC)cc2)cc1

COc1ccccc1CNC(=O)N1CCN(CC1)c1ccccc1C

CCN(Cc1ccc2OCOc2c1)C(=O)\C=C\c1cccc(Br)c1