Compound Name

SMILES String

CC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br

Oc1ccccc1-c1cc([nH]n1)-c1cccc(F)c1

Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1

O=C(Nc1cnc2ccccc2c1)c1ccco1

COc1ccc(Cn2c(nc3ccc(NC(=O)C4CC4)cc3c2=O)C2CC2)cc1

O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1

O=C(Nc1nc2CCCCc2s1)c1cccs1

Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1

Cc1nn2cc(nc2s1)-c1ccc(Cl)cc1

Nc1nc(Nc2ccccc2)nc2ccccc12

CCOc1ccc2nc([nH]c2c1)-c1ccccc1

COc1ccccc1N1CCN(CC1)c1ccc(nn1)-c1ccccc1

CN1\C(Sc2ccccc12)=C/C(=O)c1cccs1

CCOC(=O)c1cnc2c(cnn2c1N)-c1ccccc1

N(c1nc(cs1)-c1cccs1)c1ccccn1

CCOC(=O)CSc1nc2cc(C)ccc2cc1C#N

CN(c1nc(cs1)-c1ccccc1)c1ccc(O)cc1

Cn1c(nc2cc3ccccc3cc12)-c1ccco1

COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N

COC(=O)c1ccc(cc1)-c1nc2ccc(C)cc2o1

COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N

Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12

COc1ccc(cc1)-c1csc(NCc2ccco2)n1

CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1

CCCCc1ccc(nc1)-c1ccc(C)cc1O

Nc1nc(Nc2cccc(F)c2)nc2ccccc12

Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1

Cn1c(cc2sccc12)C(=O)Nc1ccc2OCOc2c1

COC(=O)CSc1nc2cc(C)ccc2cc1C#N

Cn1c(cc2sccc12)C(=O)Nc1ccc2OCCOc2c1

Cc1cccnc1NCc1ccc(O)c2ncccc12

N#Cc1cc2ccccc2nc1SCc1ccccn1

CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1

CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1

COC(=O)CSc1nc2cc(OC)ccc2cc1C#N

COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

Nc1ccccc1C(=O)OCCOc1ccccc1

C(Cc1ccccc1)Nc1ncnc2n(ncc12)-c1ccccc1

COc1ccc(cc1)-c1cn2ccsc2n1

CCOC(=O)CSc1nc(ccc1C#N)-c1ccncc1

COC(=O)CSc1nc(ccc1C#N)-c1cccs1

COc1ccc2c(c1)occ(-c1nc(C)cs1)c2=O

Cc1csc2nc(CSc3ccc(Cl)cc3)cn12

CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O |w:2.2|

Cc1csc2nc(CSc3ccc(C)cc3)cn12

O=C(c1cccs1)c1ccc(s1)-c1cccs1

c1ccc(cc1)-c1noc(n1)-c1cccc2ccccc12

Cc1ccc(cc1)C(=O)CC=Nc1cccc(O)c1 |w:11.12|

COc1ccc2CN(C(=O)c2c1OC)c1cccc(c1)C(F)(F)F

CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1

CCn1cnc2sc(cc2c1=O)-c1ccccc1

COc1ccc(cc1)-n1ncc2c(NCC(C)C)ncnc12

COc1cccc(CNc2ccc(Br)cn2)c1O

CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O |w:2.2|

[#6]-[#6]-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-[#6]-[#6])=[#7]\c1nc2ccccc2s1

O=C1CCCc2nc(ncc12)N1CCc2ccccc12

CCCCCCOc1ccc(cc1)C(=N)NO

O=C(c1ccco1)n1n2ccccc2nc1=S

CC(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1

Cc1cc(C)nc(Sc2nc(C)nc3c4ccccc4oc23)n1

CN(C)c1ccc(C=c2sc3=NCCCn3c2=O)cc1 |t:10|

NC1C2CN(CC12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F

COc1cccc(c1)-c1noc(n1)-c1cccs1

COc1cccc(c1)-c1noc(n1)-c1cccnc1

Cc1c(oc2ccccc12)-c1nc(N)nc(Nc2ccccc2F)n1

Cc1ccc(cc1)C(=O)Nc1ccc2n3CCSCc3nc2c1

Cc1ccsc1C(=O)OCc1csc(n1)-c1ccccc1

COc1ccc(cc1OC)-c1cn2cc(C)ccc2n1

C(SCc1ccccc1)c1cn2ccsc2n1

Cc1cnc(cn1)C(=O)Nc1ccc2CCCc2c1

Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(C)cc1

Cc1ccc(NC(=O)c2ccccc2O)cc1

Cc1csc(SCc2nnc(o2)-c2ccccc2Br)n1

Cc1ccc2nc(NC(=O)c3cccs3)sc2c1

C\N=c1/scc(C)n1N=Cc1ccc2OCOc2c1 |w:8.8|

CC(C)c1ccc(cc1)-c1ncc(CSc2nnc(C)n2C)s1

Cc1csc(NC(=O)c2cc3CCCc3s2)n1

COc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12

CN=c1scc(C)n1N=Cc1ccc(O)cc1 |w:8.8,1.0|

COc1cccc(c1)C(=O)Nc1ccc(C)cc1

Clc1c(CSc2nc3ccccc3o2)nc2ccccn12

Brc1ccc(s1)-c1nc2ccccc2s1

Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1

Clc1c(CSc2nc3ccccc3o2)nc2sccn12

O=C(Nc1ccccn1)c1ccc2ccccc2n1

COc1ccc(cc1)-c1cc(=O)c2ccccc2s1

C(CSc1nnnn1-c1ccccc1)Oc1ccccc1

CC(C)(C)c1ccc(cc1)C(=O)\C=C1/NC(=O)CS1

Cc1ccc(cc1)N=C1Nc2ccccc2CS1 |w:7.7|

Cc1nc(Sc2nnnn2C)c2c3CCCc3sc2n1

Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(C)cc1

Cc1cccc(NC(=O)c2cc3ccccc3o2)c1

Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1

Cc1nn2cc(nc2s1)-c1ccccc1

CCOc1ccc(NC(=O)c2ccccc2O)cc1

O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1

O=C(Nc1ccc2OCOc2c1)c1noc2CCCCCc12

CCOc1ccc2nc(sc2c1)N1CCCCCC1

C1Oc2cc3nc(sc3cc2O1)N1CCc2ccccc2C1

COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCCCC1

Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1

CCc1ccc(NC(=O)c2cc(C)on2)cc1

CCc1ccc(NC(=O)c2cc(on2)C(C)C)cc1

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

COc1ccc(OCc2cccc(c2)C(O)=O)cc1

CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C

CC(C)c1cc(no1)C(=O)Nc1cccc(Cl)c1

COc1cccc2sc(nc12)N(C)c1ccccc1

Nc1nonc1-c1noc(COc2ccccc2Cl)n1

NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1

CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1

O=C(Nc1cccnc1)c1cc(on1)-c1ccc2OCOc2c1

Cc1ccc(NC(=O)c2noc3CCCCCc23)cc1

COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1

C1Oc2ccc(cc2O1)-c1cn2ccsc2n1

Cc1nc2c(ccc3nc(NC(=O)c4ccc5OCCOc5c4)sc23)s1

ON1C(Nc2ccccc2C1=O)c1cnc2ccccc2n1

Cc1cccc(Nc2nc(cs2)-c2ccccn2)n1

CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1

Cc1nc(NC(=O)c2csc3ccccc23)sc1C

Cn1nnc(n1)-c1ccc(OCc2ccccc2F)cc1

NC(=O)c1ccccc1N=CCC(=O)c1ccccc1 |w:9.9|

COc1cccc(c1)C(=O)CC=Nc1cc(C)ccc1O |w:12.13|

Oc1ccccc1-c1cc([nH]n1)-c1ccccc1Cl

CCOC(=O)c1cnc(SCc2ccccc2)nc1N

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

Oc1c(ccc2ccccc12)-c1cc(n[nH]1)-c1ccco1

COC(=O)c1sc(NC(=O)c2cc3CCCCc3s2)nc1C

Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2s1

Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Cl)c1

COc1cc(OC)cc(c1)-c1nc2cc(C)ccc2o1

Cc1occc1C(=O)Nc1cccc2ccccc12

Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccn1

Fc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1

CSCCNC(=O)c1ccc(cc1)C(C)(C)C

O=C(Cc1cccs1)Nc1nc2CCCCc2s1

CC(=O)Nc1ccc2oc(nc2c1)-c1cc(F)c(F)cc1Cl

Oc1cc(O)c2c(c1)occ(-c1ccc3OCCOc3c1)c2=O

COc1cccc(c1)-c1nc(no1)-c1ccccc1

COc1ccc(cc1)-c1nnc(o1)-c1ccc(N)cc1

CC(C)CC(=O)Nc1ccc(cc1)-c1cn2ccsc2n1

Cc1ccc(NCc2nc3ccccc3n2C)cc1

Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1

O=C(NC1CCCCCCC1)c1ccc2OCOc2c1

COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1

Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1

CCCc1cc(cs1)C(=O)Nc1nccs1

Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1

Cc1cc(cs1)C(=O)Nc1nc2CCCCc2s1

CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc12

Cc1c(oc2ccccc12)C(=O)NC1=NCCS1 |t:15|

O=S1(=O)NC(=Nc2nc3CCCCc3s2)c2ccccc12 |w:5.5|

Fc1ccccc1OCCSc1nnnn1-c1ccccc1

OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1

CC(=O)Oc1ccc(Oc2ccc(cc2)-c2noc(C)n2)cc1

COc1ccc(cc1)-c1cn2c3CCCCc3sc2n1

Cc1ccccc1-c1cc(n[nH]1)-c1ccccc1O

Clc1ccc(NC(=O)c2ccc3OCOc3c2)cc1

Oc1ccc(cc1)-c1nnc(nn1)-c1ccc(O)cc1

Clc1cc(Cl)c(OCc2nc(no2)-c2ccccn2)cc1Cl

O=C(Nc1ccc2nsnc2c1)c1ccc2OCOc2c1

Oc1cccc(c1)-c1nc2ccccc2s1

CC(C)(C)c1ccc(cc1)C(=O)Nc1cnccn1

Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1

Fc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12

Fc1cccc(c1)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1

COc1ccc(-c2nc(no2)-c2ccc(Br)cc2)c(OC)c1

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

Cc1ccc(o1)C(=O)Nc1ccc2CCCc2c1

Clc1ccc2nc([nH]c2c1)N1CCCCC1

O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(n1)-c1ccccc1

Cc1nc(cs1)-c1ccc(NC(=O)c2cccs2)cc1

Oc1ccccc1NC(=O)CCC1CCCCC1

COc1ccc(cc1OC)-c1noc(n1)-c1ccco1

Cc1ccc(cc1)-c1nc(no1)-c1cccnc1

CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(Br)cc1

Cc1cccc(c1)-c1noc(n1)-c1ccc(F)cc1

COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc21

COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1

Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1

Cc1ccc(NC(=O)c2ccccc2)s1

OC(=O)c1cccc(COc2ccccc2Cl)c1

O=C(Nc1ccon1)c1cc2CCCCc2s1

Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1

O=C(NC1=NCCS1)c1csc2ccccc12 |t:3|

Clc1ccccc1OCc1nc(no1)-c1ccccn1

Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1

Brc1ccc(s1)C(=O)Nc1nc2CCCCc2s1

CCN(CC)c1ccc(NC(=O)c2ccco2)cc1

CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc23)cc1

CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1

Brc1ccc(s1)C(=O)Nc1ccc2OCOc2c1

C(COc1ccc(OCc2ccccc2)cc1)Cn1cncn1

COc1ccc2nc([nH]c2c1)-c1ccccc1

COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9|

CCOC(=O)c1c(C)c(sc1N)C(=O)Nc1ccc2OCOc2c1

CCc1ccc2oc(nc2c1)-c1ccc(N)cc1

Cc1ccc(o1)C(=O)Nc1nc2CCCCc2s1

Fc1ccccc1-c1nc(no1)-c1ccccc1

Clc1ccc(NC(=O)c2cc3ccccc3o2)nc1

Fc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCC1=O

CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1

COc1ccccc1-c1nc(no1)-c1cccc(C)c1

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

Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C

Nc1ccc2nc([nH]c2c1)-c1ccc(Cl)cc1

COc1ccc(NC(=O)c2cc3ccccn3n2)cc1

CC1CCN(CC1)C(=O)c1cc(on1)-c1ccccc1O

CC(C)Oc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O

CC(C)c1cc(no1)C(=O)Nc1ccc2OCOc2c1

CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1

COc1cccc(c1)-c1cc(no1)C(=O)N1CCCCCC1

Oc1cccc(c1)-c1cc(no1)C(=O)N1CCCCC1

COCCNC(=O)c1cc(on1)-c1cccs1

Cc1ccc(Nc2nc(cs2)C2CC2)cc1

COc1ccc(cc1)C(=O)c1oc2ccc(OC)cc2c1N

COc1ccc(cc1)-c1noc(n1)-c1ccccc1F

Clc1ccc(cc1)-n1ncc2c(NCC=C)ncnc12

Nc1c(oc2ccccc12)C(=O)Nc1ccc(Cl)cc1

CCCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1

Clc1ccc(s1)C(=O)Nc1ccc2sccc2c1

Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1

Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1

Cc1cccc(c1)-n1ncc2c(NC3CCCCC3)ncnc12

O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1CC1

c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccncc1

CC(=O)Nc1nc2ccc(cc2s1)-c1nc2ccccc2o1

O=C(CCCc1ccccc1)N1CCc2ccccc12

COc1ccc(NC(=O)c2cc3ccccc3o2)cc1

Cc1cc(N)n2nc(cc2n1)-c1ccccc1

Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl

COc1ccc(cc1)C(=O)Nc1cccc(OC)c1

Clc1cccc(c1)-c1ccc(o1)C(=S)N1CCOCC1

Cc1ccc(s1)-c1nc2ccccc2[nH]1

Cc1cc(NC(=O)c2ccccc2)sc1C

COc1cccc(c1)-c1nc2cc(C)ccc2o1

O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccc1

CCCCNc1ncnc2n(ncc12)-c1ccccc1

CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(F)c1

O=C(Nc1cccnc1)c1cc2c(ccc3ccccc23)o1

CCCCc1ccc(cc1)-c1nc(no1)-c1ccncc1

Cc1ccc(cc1)-c1noc(n1)-c1cccs1

Clc1ccc(-c2nnc(SCC=C)o2)c(Cl)c1

N(c1nc(cs1)-c1ccncc1)c1ccccn1

O=C1N2C(c3ccccc13)C1=C(CC(CC1=O)c1ccco1)Nc1ccccc21 |t:12|

S=C(Nc1ccccn1)c1ccccn1

Cc1ccc(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1

COc1ccc(cc1OC)-c1cc(n[nH]1)-c1ccccc1O

Clc1cc(NC(=O)c2ccco2)ccc1N1CCCC1

CCOC(=O)NC(N)=Nc1nc2ccccc2s1 |w:8.8|

c1ccc2c(c1)nc1c3ccccc3nnn21

CN(C)\C=N\c1ccc2nn(nc2c1)-c1ccccc1

O=C(COC(=O)c1ccccc1)c1cccs1

c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1cccnc1

Clc1cccc(c1)-c1nnc(o1)-c1ccccc1

Cc1occc1C(=O)Nc1ccc2ccccc2c1

CCCCOC(=O)Nc1ccc(cc1)N1CCCCC1

C1Oc2ccc(cc2O1)-c1nc2ccccc2s1

Cn1c(SCc2ccc(cc2Cl)C#N)nc2ccccc12

Cc1ccc(cc1)-c1nc2cc(N)ccc2o1

COc1ccc(cc1)C(=O)Nc1cccc(C)c1

Brc1ccc(o1)C(=O)Nc1nc2CCCCc2s1

COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |c:8|

CCC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br

CC(CC(=O)c1ccncc1)=Nc1ccccc1O |w:11.12|

Clc1ccc(NC(=O)COc2ccccc2Cl)nc1

Cc1ccccc1-c1noc(n1)-c1ccc(O)cc1

COc1ccccc1Nc1nc(cs1)-c1cccs1

Brc1cccc(NC(=O)c2cc3ccccc3o2)c1

CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1

Cc1ccc(cc1)-c1noc(n1)-c1ccccc1Br

Clc1ccc(cc1Cl)-c1ccc(o1)C(=S)N1CCOCC1

Brc1ccccc1-c1nc(no1)-c1ccccc1

Oc1cccc(c1)N=CCC(=O)c1ccccc1 |w:7.7|

Cc1cccn2cc(nc12)-c1ccc(F)cc1

O=C(NC1CCCCC1)Nc1ccc2OCCOc2c1

CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O

CC(C)(C)C(=O)Nc1nc(ns1)-c1ccccc1

O=C(Nc1nccs1)\C=C/c1ccccc1

CCOc1ccc(cc1)-c1nc(no1)-c1cccnc1

CCc1ccc(s1)C(=O)\C=C\c1cnn(C)c1C

Cc1ccccc1\C=C1/CCCc2ccccc2C1=O

CCCCCc1ccc(nc1)-c1ccc(cc1)C(O)=O

O=C(Nc1ccccc1)c1cc2ccccc2o1

Cc1ccc(cc1)-c1nnc(o1)-c1ccccc1

COc1ccc(cc1)-c1cn2ccc3ccccc3c2n1

CCCCSc1ncc(C(=O)OCC)c(N)n1

O=C(Nc1ccccc1)N1CCc2ccccc12

CCCCc1ccc(nc1)-c1ccc(Br)cc1O

CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O

Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1

COc1cccc(CNc2cnc3ccccc3c2)c1O

Oc1ccc(CN2CCCCC2)c2cccnc12

Oc1ccc(cc1O)-c1csc(n1)-c1ccccc1

Fc1ccccc1Cn1nnc(n1)-c1ccc2OCOc2c1

Fc1cccc(F)c1CSc1nc2ccccc2[nH]1

Cc1nc2ccc(cc2[nH]1)-c1nc2ccccc2o1

N(c1nc(cs1)-c1ccccn1)c1ccccc1

CC(=O)c1cnc2cc(nn2c1C)-c1ccc(C)cc1

CCCCc1ccc(nc1)-c1ccc(Br)cc1

Cc1ccc(cc1N)-c1nc2ccccc2[nH]1

CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|

BrC(C=NNC(=O)c1[nH]nc2CCCc12)=Cc1ccccc1 |w:3.3,15.17|

COc1ccc(cc1OC)C(=O)CC=Nc1ccc(C)cn1 |w:14.15|

COc1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1

CN(C)c1ccc(cc1)C(=O)c1ccc(N(C)C)c2ccccc12

COc1ccc(cc1)C(=O)Nc1cc(OC)nc(OC)n1

O=C(Cc1ccccc1)Nc1nc2ccccc2s1

CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1

Nc1nc2ccc(cc2s1)-c1nc2ccccc2o1

Cc1cccc(Nc2nc(cs2)-c2cccs2)n1

COc1ccc(cc1)-c1csc(Nc2ncccc2C)n1

COc1c(C)cccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1

O=Cc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1

Clc1ccc(cc1)-c1csc(NCC=C)n1

Cc1cccnc1Nc1nc(cs1)-c1ccccn1

O=C(Nc1ccccc1)c1ccc2OCCOc2c1

Clc1ccc2nc(NC(=O)c3ccco3)sc2c1

COc1ccc(cc1)N=CCC(=O)c1ccc2OCOc2c1 |w:8.8|

Nc1cccc(c1)-c1nc2ccccc2s1

CC(C)CC(=O)Nc1ccc2c(c1)oc1ccccc21

Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1

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

O=C1CCOc2cc(OCc3ccccc3)ccc12

O=C(CCC(=O)c1cccs1)c1cccs1

Cc1ccc(-c2cc([nH]n2)-c2ccccc2C)c(O)c1

Cc1ccc(cc1)-n1cc2ccc(cc2n1)[N+]([O-])=O

Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)ccc2c1N

Clc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1

Cc1nn(C)cc1\C=C\C(=O)c1cccs1

Cc1ccc(NC(=O)N2CCc3ccccc23)cc1

Cc1ccc(cc1)C(=O)COC(=O)c1cccs1

Nc1ccccc1C(=O)\C=C\c1ccc2OCOc2c1

COc1cccc(c1)[C@@H]1Oc2ccc(OC)cc2C(O)C1=O

Nc1ccc2oc(cc(O)c2c1=O)-c1ccccc1Cl

Cc1ccc(cc1)-c1cc(O)c2cc(C)ccc2n1

COc1ccccc1-c1nc(no1)-c1ccc(Br)o1

Fc1ccccc1N1CCN(CC1)c1cnc2ccccc2n1

COc1ccc(cc1)C1=Nc2ccccc2OC1 |t:9|

Cc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1

Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:8|

C1CN(CCN1c1ccccc1)c1cnc2ccccc2n1

CNc1nc(nnc1-c1ccccc1)-c1ccccn1

CN(C)C(=S)SC(NC(C)=O)C(Cl)(Cl)Cl

Cc1ccn2n(C(=O)c3ccco3)c(=S)nc2c1

COc1ccc(cc1)C1=Nc2cc(C)ccc2OC1 |t:9|

Brc1ccc(cc1)-n1ncc2ccccc2c1=O

C(CSc1ncccn1)Oc1ccc2CCCc2c1

Cc1ccc(CN=Nc2nnc(Cl)c3ccccc23)cc1 |w:7.7|

Cc1snc2sc(C(=O)c3ccc(C)cc3)c(N)c12

COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1

COc1ccc(Nc2nc(cs2)-c2cccs2)c(OC)c1

C(c1ccccc1)n1ccc(n1)-c1cnc(s1)-c1ccccc1

CCOc1ccc2nc(NC(=S)N(C)C)sc2c1

COc1ccc(NC(=O)Nc2ccccc2F)cc1

CCCCn1cnc2sc(cc2c1=O)-c1ccccc1

Brc1ccccc1OCCCn1cnc2ccccc12

CCCCCCOc1ccc(OC(=O)c2cccnc2)cc1

Cc1ccc(C)c(NC(=S)c2ccccn2)c1

C1Cc2nc(cn2C1)-c1ccc(cc1)-c1ccccc1

Cc1ccc(cc1)C(=O)CC=Nc1ccccc1C(N)=O |w:11.12|

O=c1oc(nc2sc3CCCCc3c12)-c1ccccc1

Clc1ccc(cc1)C(=O)\C=C\Sc1ccccc1

COc1cccc(c1)-c1nc2ccccc2s1

Oc1cccc(NC(=O)c2noc-3c2CCc2ccccc-32)c1

Cc1ccc(cc1C)N=CC(C#N)c1ccsc1 |w:8.8|

O=C(c1ccccc1)n1ccc(n1)-c1cnc(s1)-c1ccccc1

Clc1ccc(cc1)S(=O)(=O)c1snnc1-c1ccccc1

Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(Cl)c1 |t:8|

COc1ccc(cc1)C(=O)CC=Nc1cccc(O)c1 |w:12.13|

OCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1

COc1cccc(c1)C(=O)CC=Nc1cccc(O)c1 |w:12.13|

CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1

CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1

Clc1ccc(s1)C(=O)Nc1ccc2OCOc2c1

COc1cc(C=NN(C)c2ccccc2)ccc1O |w:6.6|

CCC(=O)Nc1nc(cs1)-c1ccc2OCCOc2c1

O=C(\C=C\Sc1ccccc1)c1ccccc1

Fc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1 |w:6.5|

c1ccc(cc1)-c1cnc(nc1)-c1ccccc1

NC(=NOC(=O)C=Cc1ccccc1)c1ccccc1 |w:2.2,7.7|

O=C(CSCc1ccccc1)N1CCc2ccccc12

Cc1ccc(S\C=C/C(=O)c2ccccc2)cc1

Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1

COc1ccc(C(=O)\C=C\c2cccs2)c(OC(=O)c2cccc(c2)[N+]([O-])=O)c1

CCCCOC(=O)Nc1nc2ccccc2s1

Cc1nc(O)c(N=Nc2cccc(c2)C(O)=O)n1-c1ccccc1 |w:6.5|

COc1ccc(cc1)-c1nc(no1)-c1ccc(Br)o1

Clc1ccc(CSc2nc3ccncc3[nH]2)cc1

CCOC(=O)C1=C(C)[N+]2=C([N-]C1c1ccc(O)c(OC)c1)S\C(=C/c1cccc(c1)[N+]([O-])=O)C2=O |c:5,8|

O=c1oc2ccccc2cc1-c1nnc(NCc2ccco2)s1

O=C1\C(CCc2ccccc12)=C\c1cccs1

Cn1cccc1\C=C1/CCC\C(=C/c2cccn2C)C1=O

CCc1ccc(cc1)C1=NN(C(C1)c1cccs1)S(C)(=O)=O |t:9|

CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1 |w:9.9|

NC(=O)c1ccccc1N=CCC(=O)c1ccc(Cl)cc1Cl |w:9.9|

Brc1ccc(cc1)-c1ncc(cn1)-c1ccccc1

COc1ccc(NC(=O)N2CCc3ccccc23)cc1

CCCOc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1

Cc1ccc(cc1)-c1nc2cc(Cl)ccc2o1

COc1ccc(cc1)-c1noc(n1)-c1ccc(C)cc1

Cc1ccc(cc1)-c1nc(no1)-c1ccccc1

CCC(C)c1ccc(NC(=O)c2cccs2)cc1

CN1\C(Sc2ccccc12)=C\C(=O)c1cccs1

CC(=Nc1ccccc1)c1sc2ccccc2c1O |w:2.2|

CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|

Oc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1

Clc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1 |w:6.5|

CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|

COc1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O

CCCSC(N)=NN=Cc1cc(C)ccc1O |w:4.3,7.6|

COc1ccc2nc(NC(=S)N(C)C)sc2c1

CN1CCN(Cn2cc(\C=C\C(=O)c3ccccc3)c3ccccc23)CC1

CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1 |t:5|

CCSC(N)=NN=Cc1cc(C)ccc1O |w:3.2,6.5|

Oc1ccc(F)cc1-c1cc([nH]n1)-c1ccc2OCCOc2c1

COc1ccc(cc1)C(=O)\C=C\c1cn(CN2CCN(C)CC2)c2ccccc12

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

Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1

Fc1ccccc1CSc1nc2ccccc2[nH]1

Cc1nc(N)sc1N=Nc1ccc(Br)cc1 |w:8.9|

COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O

Cc1ccc(s1)C(=O)Nc1ccc2nc(C)sc2c1

O=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1

Cc1cccc(NC(=O)c2ccc3ccccc3n2)c1C

COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1

CC(C)(C)C(=O)Nc1nc(cs1)-c1ccc2OCOc2c1

Cc1ccc(OCc2nnc([nH]2)-c2ccccn2)cc1

COc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1

Cc1sc(NC(=O)c2ccco2)nc1-c1ccccc1

CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,3.2|

CCCCCNc1nc(cs1)-c1ccccc1

COc1ccc(cc1)-c1coc2cc(OC)cc(O)c2c1=O

O=C(CC=Nc1ccccc1)c1ccccc1 |w:4.4|

Nc1c(cnn1-c1ccc(cc1)C(O)=O)-c1ccccc1

NC(=O)c1ccccc1N=CCC(=O)c1ccc(Cl)cc1 |w:9.9|

Cc1ccc(-c2cc([nH]n2)-c2cccs2)c(O)c1

Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1

Cc1cc(C)c[n+](c1)-c1nc2ccccc2nc1[C-](C#N)C#N

COc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1

N(c1nc2ccccc2o1)c1ccccc1

Cc1ccc(cc1)S(=O)(=O)NC(=NC(=S)Nc1ccccc1)c1ccccc1 |w:12.13|

COc1ccc(CN=Nc2nc3ccccc3o2)cc1O |w:8.8|

COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1

CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C

CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1C

CCOC(=O)c1sc(NC(=O)c2ccccc2)cc1C

O=C(Nc1ccc2CCCc2c1)c1cc2ccccc2o1

COc1ccc2cc(ccc2c1)-c1cc(C(O)=O)c2ccccc2n1

CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc2OCOc2c1

CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccccc1Br

FC(F)(F)COC(=O)c1cccc(COc2ccc3ccccc3c2)c1

CCOC(=O)c1nn(cc1C(=O)c1ccccc1)-c1ccc(C)cc1

Cc1nn(C)cc1\C=C\C(=O)c1ccccc1

Brc1ccc(s1)-c1cn2ccccc2n1

CCOC(=O)c1nn(cc1C(=O)c1cccc2ccccc12)-c1ccc(Br)cc1

Fc1cccc(C=NNC(=O)c2csc3CCCCc23)c1 |w:7.7|

CCOC(=O)c1cc(nn1C)C(=O)Nc1cccc(C)c1

CCCC#C\C=C1\Cn2c(S1)nc1ccccc21

Fc1ccccc1-c1nc2cc(NC(=O)c3nnc[nH]3)ccc2o1

Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1

COc1ccc(OC(=O)c2cnn(c2C)-c2ccccc2)cc1

CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1

O=[#6](\[#6]=[#6]\c1ccco1)/[#6]=[#6]-1\[#16]-[#6]-[#6]-[#16]-1

COc1ccc(Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1

Cc1ccccc1C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:10.10|

Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1

FC(F)(F)c1cc(Cl)c2nc(cn2c1)-c1ccccc1

Cn1cccc1C(=O)C(=O)Nc1ccccc1

Clc1ccccc1C(=O)Nc1ccc2sc3ccccc3c(=O)c2c1

Cc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:6.5|

COc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:7.6|

COc1ccc(CSc2nc3ccccc3[nH]2)cc1

O=C(Nc1ccc2ccccc2c1)c1onc2CCCCc12

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

Cc1ccc(\C=C2/Sc3ccccc3C2=O)s1

CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|

Cc1ccc2sc(NC(=O)CSc3nc(C)cc(C)c3C#N)nc2c1

COc1ccc(NC(=O)c2csc3CCCCc23)cc1

CC(=O)Nc1cccc(c1)-c1csc(Nc2cccc(C)n2)n1

CC(=O)Nc1cccc(c1)-c1csc(Nc2ccccn2)n1

Fc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F

Clc1cccc(Cl)c1\C=C\c1nc2ccccc2[nH]1

Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1

CSc1ccccc1-c1nnc(o1)-c1ccccc1

Clc1ccccc1Nc1ncc(s1)C(=O)c1ccccc1

Cc1ccc(cc1)C(=O)Nc1ccc2nccnc2c1

CCNC(=O)ON=C(C)c1sc(nc1C)-c1ccc(Cl)cc1 |w:6.5|

CCSc1ncc(CN=Nc2ccc(Cl)cc2)n1C |w:9.9|

COc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:7.6|

O=C1SC(=CNc2ccccc2)c2ccccc12 |w:4.4|

Cc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:6.5|

Nc1cccc(c1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F

CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1

C(N=Nc1nc2ccccc2s1)c1cccs1 |w:2.2|

C(N=Nc1nc2ccccc2s1)c1ccco1 |w:2.2|

CCC(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1

Cc1ccccc1-c1cc(on1)-c1ccccc1O

Oc1ccccc1-c1cc(no1)-c1ccccc1

O=C(Cc1nc(=O)c2ccccc2s1)Nc1ccccc1

Clc1c(sc2ccccc12)C(=O)NC1=NCCS1 |t:15|

C(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:2.2|

Oc1ccc(CN=Nc2cccc3cccnc23)c(O)c1 |w:7.7|

Cc1ccc(cc1)C(=O)CC=Nc1ccc2OCOc2c1 |w:11.12|

Fc1cccc(c1)N=CCC(=O)c1cccs1 |w:7.7|

Cc1ccc(\C=C2/OC(=O)c3ccccc23)cc1

CCn1c(\C=C\c2ccccc2)nc2ccccc12

Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)s1

Oc1ccccc1CN=Nc1cccc2cccnc12 |w:9.10|

NC(=O)c1ccccc1N=CCC(=O)c1cccs1 |w:9.9|

COc1cc(SC)ccc1C(=O)NCCOc1ccccc1Cl

Cc1ccc(NC(=O)\C=C\c2cccs2)c(c1)[N+]([O-])=O

NC(=NOC(=O)c1ccccc1Cl)c1ccccc1 |w:2.2|

O=C(NC(=S)Nc1ccc2OCOc2c1)c1ccccc1

NC(=NOC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|

NC(=NOC(=O)c1cccc(Br)c1)c1ccccc1 |w:2.2|

Cc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1

C=CCNc1oc(\C=C\c2ccccc2)nc1C#N

Cc1ccc(C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(C)c1

CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:5|

Cc1ccc(CN=Nc2cccc3cccnc23)c(O)c1 |w:7.7|

CC(=O)Nc1ccc(cc1)\N=N\c1ccccc1

Cc1cccc(NC(=O)\C=C\c2ccc3OCOc3c2)n1

Cc1c(csc1-c1ccccc1)C(=O)Nc1ccccc1[N+]([O-])=O

CCCc1ccc(OC(=O)NC(=O)CCSC(=S)N(CC)CC)cc1

CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(cc1)C(C)C

CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(C)cc1

CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(cc1)C(C)(C)C

COc1ccc(CN=Nc2cc(OC)ncn2)cc1 |w:8.8|

Fc1ccccc1C(=O)Nc1ccc(cc1)C1(CCCC1)C#N

Fc1ccc(cc1F)N=CCC(=O)c1cccs1 |w:8.8|

Fc1c(F)c(F)c(N=NCc2c[nH]c3ccccc23)c(F)c1F |w:7.6|

C(N=Nc1nc(cs1)-c1ccccc1)c1ccco1 |w:2.2|

CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(C)cn2)n1

CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)[N+]([O-])=O

COc1ccc2C(=O)\C(COc2c1)=C/c1cccs1

FC(F)(F)C(=O)C(C=Nc1ccc(Br)cc1)C(=O)c1ccco1 |w:8.8|

COc1ccc2nc(SCc3ccccc3)nc(C)c2c1

CC(=O)Oc1ccc(Cl)cc1\C=C\c1ccc2ccccc2n1

C(=C/c1ccccc1)\c1nc(no1)-c1ccccc1

[O-][N+](=O)c1cc(Cl)ccc1-c1nc(no1)-c1ccccc1

Cc1ccc(NC(=O)C(\Cl)=C\c2ccccc2)cc1C

Cc1cccc(c1)-c1noc(n1)-c1ccc(Cl)cc1[N+]([O-])=O

Fc1ccccc1N=CCC(=O)c1cccs1 |w:7.7|

Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1

N#C\C(=C\c1ccco1)c1nc2ccccc2s1

[O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1ccc[n-]1 |w:9.9|

Nc1ccc(cc1)-c1nc2ccc(cc2s1)C(O)=O

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1

Fc1ccccc1Nc1nc-2c(CCc3ccccc-23)s1

Cc1ccc(\C=C\C(=O)NC2=NCCS2)cc1 |t:10|

Oc1cc(nc2ccccc12)C1C(=O)c2ccccc2C1=O

COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S

Cn1cc(c(n1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[N+]([O-])=O

COc1ccc2c3c1cccc3C(=O)N(C2=O)O

[H][C@]12OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@](C)(C13)c1cc(=O)oc(C(C)C)c1[C@H]2O

COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:7.7|

CN(C)c1ccc(C=NNC(=O)c2ccco2)cc1 |w:8.8|

COc1ccc2C(Nc3nc(cs3)-c3cc4ccccc4oc3=O)OC(=O)c2c1OC

Brc1ccc(s1)C(=O)Nc1ccc2OCCOc2c1

CCN(CC)c1ccc(C=NNC(=O)c2ccco2)cc1 |w:10.10|

Cc1c(oc2ccccc12)C(=O)N1CCc2ccccc12

Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1

COC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1

O=C1\C(CCC\C1=C/c1ccco1)=C/c1ccco1

Oc1ccc(cc1)N=Nc1nnc([nH]1)-c1ccccc1 |w:8.9|

Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O

Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1

O=C(Nc1nc2ccccc2s1)c1ccc2OCOc2c1

NC(=NOC(=O)COc1ccccc1Cl)c1ccccn1 |w:2.2|

COc1c(Cl)cc(Cl)cc1\C=C\C(=O)c1ccc(NC(=O)c2cccs2)cc1

O=C(Nc1ccc2OCCOc2c1)c1cccs1

CCOc1ccc(NC(=O)c2ccco2)c(c1)[N+]([O-])=O

Fc1ccccc1\C=C\c1ccc2ccccc2n1

CCOC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1

CCCCOc1ccc(cc1[N+]([O-])=O)-c1csc(N)n1

COc1ccc2C(=O)\C(CCc2c1)=C/c1ccco1

Cc1ccsc1CN=Nc1nc2ccccc2s1 |w:8.9|

Cc1ccc(CN=Nc2nc3ccccc3s2)o1 |w:7.7|

CCCC(O)(CCC)C(=O)NN(C(=O)CCl)c1ccccc1

Cc1ccc(NC(=O)c2scc3CCCCc23)cc1

CCOc1ccc2nc(sc2c1)C(=O)N1CCCC(C)C1

OC(=O)c1ccc2nc(sc2c1)-c1ccccc1

Clc1ccc(cc1Cl)-c1cn2cc(Br)ccc2n1

NC(=NOC(=O)c1cccc(Cl)c1)c1ccccn1 |w:2.2|

COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC

Clc1ccc(cc1Cl)-c1cn2Cc3ccccc3-c2n1

OC(=O)c1ccc(COc2ccc(\C=C(/C#N)C(=O)N3CCOCC3)cc2)cc1

CN(C)c1ccc(cc1)C(=O)\C=C\c1ccco1

CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O

O=C(\C=C\c1c[nH]c2ccccc12)c1ccccc1

CC1=CN2C(S1)=NC(=O)\C(=C/c1ccco1)C2=N |c:6,t:1|

Clc1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1

Cc1ccnc(NC(=O)\C=C\c2ccccc2Cl)c1

Cc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)S(C)(=O)=O |t:8|

COc1ccc(\C=C\c2nc3ccccc3n2Cc2ccccc2OC)cc1

COc1ccc(\C=C\c2nc3ccccc3n2Cc2ccc(OC)c(OC)c2)cc1

Cc1ccc-2c(c1)\C(=N/C1CCCCC1)c1cc3ccccc3nc-21

CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSC(=S)N(CC)CC

NC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1

O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(cc1)-c1nc2ccccc2s1

Cc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc23)s1

Brc1ccc(NC(=O)\C=C\c2cccs2)nc1

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1

CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1

Oc1cccc(c1)C(=O)OCC(=O)c1c[nH]c2ccccc12

Nc1ccc(O)cc1C(=O)OCC(=O)c1ccc(cc1)C1CCCCC1

NC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1

Cc1ccc2nc(sc2c1)-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1

CCc1ccc(cc1)C(=O)CN1CCSC1=N

CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O

COCCNC(=S)NN=C(C)c1ccccc1O |w:8.7|

Cn1ccc(n1)C(=O)Nc1ccc(Br)cc1Br

CC(=O)Nc1ccc2nc(cn2c1)-c1ccccc1

Cc1ccc2nc(\C=C\c3cccc(F)c3)ccc2c1

CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1

O=C(\C=C\c1cccs1)N1CCc2ccccc12

NC(=NN=Cc1ccc2OCOc2c1)c1nonc1N |w:3.2,1.0|

CC1CC1C(=O)OCC(=O)Nc1ccc(cc1)\N=N\c1ccccc1

Clc1cc(CN=O)ccc1OCc1ccccc1

COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O

CC(C)CC(=O)Nc1ccc2nn(nc2c1)-c1ccccc1

Nc1nn(c(N)c1N=Nc1ccc2OCOc2c1)-c1ccccc1 |w:8.9|

CC(=O)c1cccc(c1)N=CCC(=O)c1ccc(C)cc1 |w:9.9|

Brc1cc(CN=O)ccc1OCc1ccccc1

Brc1ccc(cc1)C(=O)NCCSc1ccccc1

Cc1ccc(cc1)N=Nc1c(N)nn(c1N)-c1ccccc1 |w:7.7|

Cc1ccccc1Nc1nnc(SCC2CCCCO2)s1

Oc1ccccc1C(=O)c1cnn(c1)-c1ccccc1

C=CC\N=c1/scc(-c2ccccc2)n1N=Cc1ccccn1 |w:15.16|

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1

CC(Cc1ccccc1)=CN=Nc1nc2ccccc2[nH]1 |w:11.12,9.10|

Cc1nn(c(Cl)c1CN=Nc1cccc(c1)C(O)=O)-c1ccccc1Cl |w:9.10|

CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1

Cc1nc(Nc2ccccc2)sc1-c1ccccc1

CCCCNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1

OC(=O)c1ccc(cc1)N=NCc1ccc(F)c(F)c1 |w:9.9|

Fc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1

CCN1C\C(=C\c2ccc(cc2)N2CCOCC2)C(=O)\C(C1)=C\c1ccc(cc1)N1CCOCC1

C=CCNc1nc(cs1)-c1cc2ccccc2o1

CC(N=Nc1nc2ccccc2[nH]1)c1cccs1 |w:3.3|

Cc1ccsc1C(=O)Nc1ccc2OCCOc2c1

Cc1ccsc1CN=Nc1nc2ccccc2[nH]1 |w:8.9|

O=C(Nc1ccc2CCCc2c1)c1ccccc1

Brc1ccccc1CN=Nc1ccc2ccccc2n1 |w:9.10|

Fc1ccccc1C(=O)Nc1ccc2CCCc2c1

CCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C

COC(=O)c1ccc(cc1)-c1nc2ccccc2[nH]1

Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1

Fc1cccc(c1)C(=O)Nc1ccc2CCCc2c1

COc1ccccc1\C=C\C(=O)Nc1ccc2CCCc2c1

COCCNc1nc(cs1)-c1cc2ccccc2o1

COc1cccc(c1)N(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)cc1

COc1cc(CN=Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F |w:7.7|

Cc1ccc(Nc2nc3ccccc3s2)c(C)c1

Cc1cccc(Nc2nc3ccccc3s2)c1C

CCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C

CN(c1ccccc1)c1ccc(C=NN2CCOCC2)cc1 |w:13.14|

Cc1nn(c(Cl)c1CN=Nc1cccc(c1)C(O)=O)-c1cccc(c1)C(F)(F)F |w:8.8|

Cc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)s1 |w:7.7|

Cc1ccc(CN=Nc2cccc(c2)C(O)=O)s1 |w:7.7|

OC(=O)c1cccc(c1)N=NCc1cccs1 |w:9.9|

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(=O)[nH]c2)cc1

CC(=O)Nc1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|

COc1ccc(cc1OC)C(C)N=Nc1ccc(cc1)C(O)=O |w:13.14|

Cc1nn(c(Cl)c1CN=Nc1ccc(Cl)c(c1)C(O)=O)-c1ccccc1 |w:9.10|

OC(=O)c1cc(ccc1Cl)N=NCc1ccc2OCCOc2c1 |w:10.10|

CCc1ccc(NC(=O)c2cnn(c2C)-c2ccccc2)cc1

CN(C)C(=O)Oc1ccc(cc1)-c1cn2cc(Cl)ccc2n1

CC(C)c1ccc(C=NNC(=O)c2c(Cl)cnn2C)cc1 |w:8.8|

COC(=O)c1ccc(nc1C)-c1ccc(Cl)cc1

COC(=O)c1cccc(NC(=O)c2onc3CCCCc23)c1

Nc1nn(c(N)c1N=Nc1ccccc1F)-c1ccccc1 |w:7.7|

Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl

CNC(=O)Oc1cccc(c1)-c1cn2cc(Cl)ccc2n1

Brc1ccc(cc1)N=CCC(=O)c1cccnc1 |w:7.7|

Fc1cccc(c1)C1=NNC(S1)c1ccccc1 |t:8|

CC(C)c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1 |w:8.8|

CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccs2)CC1

Nc1nn(c(N)c1N=Nc1ccccc1)-c1ccccc1 |w:7.7|

Cc1cc(C)n2cc(COc3ccc4ccccc4c3)nc2n1

Cc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1

COc1ccc2nc(SCC(C)=O)c(cc2c1)C#N

Cc1ccsc1C(=O)NN=Cc1ccc2OCOc2c1 |w:9.9|

CCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccc[nH]1 |w:15.15|

O=C(Nc1ccccc1)c1nc2ccccc2s1

COc1ccc(NC(=O)c2nc3ccccc3s2)cc1

Oc1ccc(cc1)-c1cn2cc(ccc2n1)C(F)(F)F

COc1ccccc1\C=C\C(=O)Nc1ccc2OCCOc2c1

CC(OC(=O)c1ccccc1[N+]([O-])=O)C(=O)c1ccc(C)cc1

CSc1ccc(cc1)C(=O)\C=C\c1ccc(N)cc1

COc1ccc(cc1)C(=O)NCCSc1ccccc1

COc1ccc2C(CCc2c1)=NOC(=O)c1cccc(C)c1 |w:11.13|

NC(=NOC(=O)COc1ccc(Br)cc1Cl)c1ccccn1 |w:2.2|

COc1cc([CH-]N=[OH+])ccc1OCc1ccc(cc1)[N+]([O-])=O

CC(C)c1ccc(\C=C\C(=O)Nc2nncs2)cc1

O=C(Nc1ccc2OCOc2c1)c1ccc2OCOc2c1

Fc1ccc(cc1F)N=CCC(=O)c1ccc(Br)cc1 |w:8.8|

CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccccc1

Cc1ccc(\C=C\C(=O)N2CCc3ccccc23)o1

Cc1ccc(\C=C\C(=O)Nc2ccccc2C(N)=O)cc1

Cc1csc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)n1

Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1 |w:7.7|

CC(C)Oc1cccc(c1)C(=O)Nc1ccc(Br)cc1F

COc1ccc(cc1Br)-c1cn2cc(C)ccc2n1

[O-][N+](=O)c1ccc(s1)C1=[N+]2N[C-](CC2c2ccccc2O1)c1ccccc1 |c:9|

[#6]-[#8]-c1ccc(-[#7]\[#6](-[#6])=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1

COc1cccc(c1)N=CCC(=O)c1ccc(Cl)cc1 |w:8.8|

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-[#6]

Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl

Clc1ncccc1-c1nnn(n1)-c1ccccc1

Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl

Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(s3)[N+]([O-])=O)cc2)n1

CCCSc1nsc(NC(=O)CCC)n1

Oc1ccc(cc1)-c1csc(Nc2ncccn2)n1

Clc1ccc(cc1)C(=O)NCCSc1ccccn1

Fc1ccc(NN=C(C#N)C(=N)N2CCCCCC2)cc1 |w:6.5|

Fc1cccc(NN=C(C#N)C(=N)N2CCCCCC2)c1 |w:7.6|

Cc1ccc(OCc2nc(no2)-c2cccs2)c(c1)[N+]([O-])=O

[#7-]\[#6](-[#6](-[#7]=[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)C#N)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:3.2|

[O-][N+](=O)c1ccc(F)cc1OCc1nc(no1)-c1cccs1

CCOc1cc(CN=Nc2cccc(c2)C(O)=O)ccc1OC(=O)c1ccccc1 |w:8.8|

Cc1ccsc1C=C1CCC(C2CCCC2)C1=O |w:6.6|

C\C(C=NNC(=O)c1cccs1)=C/c1ccccc1 |w:3.3|

Clc1ccccc1-c1nnc(o1)-c1ccc2OCOc2c1

CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1

Cc1ccc(OCC(=O)Nc2ccccc2[N+]([O-])=O)c(Br)c1

COc1ccc2C(CCc2c1)=NOC(=O)c1ccccc1C |w:11.13|

Cn1cccc1\C=C1/CCc2ccccc2C1=O

Cc1ccc(NC(=O)c2noc3CCCc23)cc1C

CCCNC(=O)c1noc-2c1CCc1cc(OC)ccc-21

CC(C)Oc1ccc(cc1)C(=O)NC1=NCCS1 |t:14|

COc1cc(CN=O)ccc1OCc1ccccc1Cl

Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)\C=C/C(O)=O)cc1

Cc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)nc1

Fc1ccc(cc1)C(=O)Nc1nc2ccccc2s1

CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCN4CCCCC4C)n3)c(=O)oc12

O=C(NCCC1=CCCCC1)Nc1ccc2nsnc2c1 |t:5|

COc1cccc(c1)-c1noc(n1)-c1ccc2OCOc2c1

Cc1nc(cs1)-c1ccc(cc1)C(=O)Nc1cccc(Br)c1

Cc1ccc2nc3cc(cc([N+]([O-])=O)c3cc2c1)[N+]([O-])=O

Fc1ccccc1CN1C(=O)N\C(=C\c2c[nH]c3ccccc23)C1=O

CCOc1ccc(cc1Cl)C(=O)Nc1cccc(c1)C(O)=O

COc1ccc(cc1)-c1csc(Nc2ccccn2)n1

COc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl

[O-][N+](=O)c1ccccc1\C=C\C(=O)Nc1ccccc1

CCCOc1ccc(cc1)C(=O)NCCc1ccccc1

Cc1ccnc(NC(=O)\C=C\c2ccccc2[N+]([O-])=O)c1

O=C(Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1

CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(Cl)cn2)n1

COc1ccc(\C=C\C(=O)c2ccccc2)c(OC)c1

Oc1cccc(NC(=O)\C=C\c2ccccc2Cl)c1

COc1cc(SC)ccc1C(=O)Nc1ccc2OCOc2c1

O=C(CCc1ccccc1)Nc1ccc2ccccc2n1

Cc1cc(C)cc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1

Cc1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)nc1

CN(c1nc(cs1)-c1cccs1)c1ccc(O)cc1

Oc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1

O=C(NCCCn1ccnc1)c1cc(on1)-c1ccccc1

Cc1ccc2oc(nc2c1)-c1cccc(N)c1

COCCNC(=O)C(=C\c1cc(C)n(c1C)-c1ccc(C)cc1)\C#N

CC(=O)c1sc(N=NCc2ccccc2O)nc1C |w:6.5|

Fc1ccc(NC(=O)C(\Cl)=C\c2ccccc2)cc1

COc1ccc(cc1)C(=O)\C=C1/Sc2ccccc2N1C

Brc1ccc(s1)C(=O)Nc1ccc2CCCc2c1

Cc1ccc(cc1)-c1noc(n1)-c1ccccc1F

NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCC(=O)c1ccc2OCCOc2c1

CC(=O)c1ccc(NC(=O)C(Cl)=Cc2ccccc2)cc1 |w:12.12|

Cc1cc(O)ccc1Nc1nc(cs1)-c1cccs1

Cc1ccc(NC(=O)N2CCc3ccccc23)cc1C

O=C(Nc1ccc2OCOc2c1)Nc1ccc2OCCOc2c1

Oc1cccc2ccc(\C=C\c3c(F)cccc3Cl)nc12

Fc1cccc(c1)C(=O)Nc1ccn(Cc2ccccc2)n1

Clc1ccccc1Oc1ccc(cc1)N=CCC(=O)c1ccco1 |w:14.15|

CC(=NN1C(Nc2ccccc2C1=O)c1ccco1)c1ccccc1O |w:2.2|

COc1ccccc1Oc1ccc(cc1)N=CCC(=O)c1ccco1 |w:15.16|

Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=NCc1ccco1 |w:15.17|

O=C(CC=Nc1ccc(Oc2ccccc2)cc1)c1ccco1 |w:4.4|

CN(C)C(=S)Nc1nc2ccccc2s1

Cc1nc(NC(=O)c2cccs2)ccc1Br

COc1cccc(NC(=O)C(=S)NC2CCCCC2)c1

COCCOCCn1c(\C=C\c2ccccc2)nc2ccccc12

COc1ccc(-c2cc(n[nH]2)-c2ccccc2)c(O)c1

Cc1ccccc1OCC(=O)Nc1cccc(c1)C(O)=O

Fc1ccccc1C(=O)NC(=S)Nc1ccc2OCCOc2c1

Cc1ccc(cc1C)N=CCC(=O)c1cccs1 |w:8.8|

Cc1cc(NC(=O)Nc2ccccc2F)ccc1Br

Oc1c(ccc2ccccc12)C1=NCCN=C(C1)C(F)(F)F |c:17,t:13|

NC(=NOC(=O)c1cc(Br)ccc1Cl)c1ccccn1 |w:2.2|

Cc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1

Clc1ccc2nc3c4ccccc4cnn3c2c1

COC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1

Cc1ccc(OCCSc2ncccn2)c(C)c1

Cc1cc(ccc1F)N=CCC(=O)c1cccs1 |w:8.8|

Clc1ccc(cc1)C(=O)NCCC1=CCCCC1 |t:13|

FC(F)(F)c1ccccc1N=CCC(=O)c1ccco1 |w:10.10|

Cc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl

OC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1

Cc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2n1C

Oc1cccc(CN=Nc2cccc3cccnc23)c1 |w:8.8|

Nc1ccc(cc1)-c1nnc([nH]1)-c1ccccc1

[O-][N+](=O)c1cccc(c1)-c1cn2ccccc2n1

COc1cccc(CN=Nc2nccnc2Cl)c1O |w:8.7|

Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|

COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O

COc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1

Cc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O

[O-][N+](=O)c1ccc(o1)C(=O)NCc1cccnc1

Nc1ccc(\C=C\C(=O)c2cccs2)cc1

Nc1ccc(cc1)-c1nc2cc(N)ccc2s1

O=C(Nc1ccc2CCCc2c1)c1cccs1

CCc1ccc(cc1)-c1cn2CCSc2n1

Fc1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1

O=C(CC=Nc1ccc2OCOc2c1)c1ccc2OCOc2c1 |w:4.4|

O=C(CC=Nc1ccc2OCOc2c1)c1cccs1 |w:4.4|

CC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

COc1cc(CN=O)ccc1OCc1ccc(Cl)cc1

Br\C(C=NNC(=O)c1cccs1)=C/c1ccccc1 |w:3.3|

CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C

Fc1cccc2sc(C(=O)Nc3ccccn3)c(Cl)c12

Cc1ccc(cc1)-c1cn2cccc(C)c2n1

O=C(COc1ccc2ccccc2c1)Nc1nccs1

CCOC(=O)c1sc2nc(ccc2c1N)-c1cccnc1

COC(=O)c1sc2nc3CCCCc3cc2c1N

CNc1nc(cs1)-c1ccc2N(CCc2c1)C(=O)c1ccccc1F

Cc1ccc(cc1)-c1nnc(o1)-c1cccs1

COc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1

NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 |w:2.2|

NC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|

CCOC(=O)c1ccc(Nc2ncccc2[N+]([O-])=O)cc1

O=C(Nc1nc2ccccc2s1)Nc1ccccc1

COc1cccc(NC(=O)Nc2ccc3n(C)c(C)nc3c2)c1

Clc1cc(NC(=O)c2cccs2)ccc1N1CCCC1

Cc1cc(\C=C(/C#N)C(=O)Nc2ccccc2F)c(C)[nH]1

Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2)cc1

Nc1nc(nc2sc3CCCCc3c12)-c1cccnc1

O=C(CCCc1ccccc1)Nc1ccc2OCCOc2c1

Cc1ccn2cc(nc2c1)-c1cc2ccccc2oc1=O

CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2F)c1C

COc1ccc(Nc2nc3ccccc3s2)cc1

COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(C)(C)C

Clc1ccccc1Nc1nc(cs1)-c1cccnc1

Nc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1

Cc1ccccc1Nc1nc(N)c2ccccc2n1

O=C(NC1CCCCC1)Nc1nc2ccccc2s1

OCc1cn(nc1-c1cc2ccccc2o1)-c1ccccc1

Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1nccs1

CC(=O)Nc1ccc(cc1)-c1csc(Nc2cccc(C)n2)n1

[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(Cl)cn1

CCCOc1ccc(cc1)-c1cn2ccccc2n1

CC(=O)c1ccc(Nc2ccc(nn2)-c2ccccc2F)cc1

COC(=O)CSc1nc2ccc(C)cc2cc1C#N

Brc1ccccc1N=CCC(=O)c1ccc2OCOc2c1 |w:7.7|

CC(=O)CSc1nc2cc3OCCOc3cc2cc1C#N

Cc1ccc(cc1)N1Cc2ccccc2C1=S

Cc1ccc(\C=C\c2nc3ccccc3[nH]2)o1

O=C(Nc1ccc2OCCOc2c1)c1cc2ccccc2o1

COc1ccc(CN=Nc2ncccc2[N+]([O-])=O)c(OC)c1 |w:8.8|

Fc1ccc(NC(=S)Nc2nccs2)cc1

COc1ccc(C=NN=C(N)c2nonc2N)cc1 |w:7.7,9.9|

CCOc1ccc(CN=Nc2ccccn2)cc1 |w:9.9|

[#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]\[#7]-c1nc2ccccc2s1

COc1ccc(\C=C/c2nc(=O)c3ccccc3o2)cc1

Cc1ccc(NN=C(C#N)C(=N)N2CCCCCC2)cc1 |w:6.5|

Cc1nn(c(N)c1-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O

C\C(C=NNC(=O)c1ccco1)=C/c1ccccc1 |w:3.3|

Nc1ccc2nc(SCc3cccc(F)c3)sc2c1

CCOC(=O)c1cnc2c(cnn2c1C)-c1ccccc1

Clc1ncccc1NC(=O)c1ccc2c(Cl)c3CCCc3nc2c1

CCc1ccc2oc(c\c(=[NH+]/c3cccc(c3)C(O)=O)c2c1)-c1ccc(OC)cc1

Oc1cc(cc2cccnc12)[N+]([O-])=O

Cc1ccc(O)c(NC(=O)c2noc3CCCCCc23)c1

O=C(NNC1=c2ccccc2=NC1=O)c1cccs1 |c:4,11|

CC(C)c1ccc(Nc2nc(CC(O)=O)cs2)cc1

COC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1

Cc1ccc(NC(=S)N2CCC(C2)c2ccccc2)c(Cl)c1

Cc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1C

CC(C)(C)c1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:9.8|

Cc1ccsc1CN=Nc1cccc(c1)C(O)=O |w:8.9|

Clc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1

COc1ccccc1C(=O)Nc1nc2cc3OCCOc3cc2s1

C(Sc1ccc(nn1)-c1ccccn1)c1ccccc1

CCOC(=O)c1s\c(=N\C(=O)c2ccccc2)n(C)c1C

COc1ccc(cc1)-c1csc(Nc2ccccc2)n1

COc1ccc2nc(Nc3ccccc3OC)sc2c1

CCOC(=O)c1s\c(=N/C(=O)c2cccs2)n(C)c1C

CN(C)CCCN(C(=O)\C=C\c1cccs1)c1nc2c(F)cccc2s1

COc1ccc2nc(Nc3ccccc3)sc2c1

Fc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1

CCSc1ccc(nn1)-c1ccc(C)cc1

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

CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C

c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1

Clc1ccccc1-c1nnc(o1)-c1cccs1

Oc1ccc(-c2csc(Nc3ncccn3)n2)c(O)c1

Cc1noc(CC=Nc2ccc(F)cc2F)c1[N+]([O-])=O |w:7.7|

Nc1nc(cs1)-c1ccc2ccccc2c1

ClCC(=O)c1c[nH]c(CN=Nc2ccccc2Cl)c1 |w:10.10|

COc1ccc(cc1)-c1ccc2ccccc2n1

C\C(C=NNC(=O)c1cccs1)=C/c1ccco1 |w:3.3|

Nc1nn(cc1-c1ccc(Cl)cc1)-c1cccc(F)n1

Nc1nn(cc1-c1ccccc1)-c1cccc(F)n1

COc1ccc(cc1F)-c1cn2cccc(C)c2n1

COc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F

COc1nc(nnc1-c1ccccc1)-c1ccccc1

CC(C)c1ccc(cc1)-n1cnn(-c2ncccc2[N+]([O-])=O)c1=O

Nc1cccn2c(cnc12)-c1ccc(Cl)c(Cl)c1

Nc1cccn2c(cnc12)-c1ccc(Cl)cc1

CC(C)c1ccc(\C=C\c2ccc(=O)n(C)n2)cc1

Fc1ccc2nc(NC(=O)c3cccs3)sc2c1

O=C(CSC(=S)N1CCSCC1)c1ccccc1

COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:9|

[#7-]\[#6](-[#6](-[#7]=[#7]-c1ccccc1-[#7+](-[#8-])=O)C#N)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:3.2|

CC(N=O)c1sc(nc1C)-c1ccccc1

Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccs1

CC(N=Nc1cccc2cccnc12)c1ccccc1O |w:3.3|

[O-][N+](=O)c1ccccc1OCc1nc(no1)-c1cccs1

Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1ccncc1

[O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1

Fc1ccccc1CN=Nc1ncnc2ccccc12 |w:9.10|

Cc1nn2cc(cnc2c1Cl)-c1ccc(C)cc1

Oc1ccccc1C(=O)c1cnn(c1)-c1ccc(Cl)cc1

COc1ccc(cc1)N1N2C(NC1=S)C(C)(NC2=S)c1ccccc1

C(N=Nc1ncnc2ccccc12)c1ccccc1 |w:2.2|

Clc1ccc(\C=C\C(=O)Nc2nccs2)cc1

COC(=O)c1ccc(NC(=O)C(=O)c2cccn2C)cc1

Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc2ccccc2c1 |w:11.12|

NC(=NN=Cc1cccc(O)c1)c1nonc1N |w:2.2,4.4|

CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12

COc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1

COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1

COc1ccc(cc1)-c1cc(=O)c2cc(OC)ccc2o1

O=C1C=C(Nc2ccccc2)C(=O)c2ccccc12 |t:2|

C1Oc2ccc(cc2O1)-c1ccc2ccccc2n1

[O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1cc(c[n-]1)C(=O)CCl |w:9.9|

OC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1

Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

CC(C)NC1=NN=C(CS1)c1ccc(Cl)c(Cl)c1 |c:6,t:4|

O=C(CNc1cccc(c1)C#N)Nc1ccc2OCCOc2c1

O=C(CSc1ncnc2ccccc12)c1ccco1

O=C(Nc1ccc2OCCOc2c1)c1ccc2ccccc2n1

Cc1cccc(c1)-c1cc(N)n(n1)-c1ccccc1

COC(=O)c1ccc(\C=C(/C#N)c2ccccn2)cc1

Fc1ccc(Nc2ccc3ccccc3n2)c(F)c1

Cc1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)nc1

COc1ccc(-c2csc(n2)-c2cccs2)c(OC)c1

COc1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1

Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1

O=C(Nc1ccccc1)c1ccc2ccccc2n1

Brc1ccc(cc1)C1=CSC2=C(C#N)C(=O)CCCN12 |c:11,t:8|

[H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2 |c:31,THB:4:3:27:28.29|

Cn1c2ccccc2sc1=NN=Cc1ccccn1 |w:10.12|

COc1ccc(C=NOC(=O)Nc2ccccc2OC)cc1 |w:7.7|

COc1ccc(cc1)C(=O)\N=c1/sc2ccccc2n1C

CC1Cc2ccccc2N1C(=O)\C=C\c1cccc(F)c1

C(Nc1nc(cs1)-c1cc2ccccc2o1)C1CCCO1

CN=c1scc(-c2ccccc2F)n1N=C(C)c1cccnc1 |w:14.15,1.0|

CCc1ccc(cc1)C(=O)COC(=O)c1n[nH]c2ccccc12

N(N=Cc1ccccn1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|

Cc1occc1C(=O)NN=C\C(Br)=C\c1ccccc1 |w:9.9|

CSC(=S)NN=C(C)c1ccccc1 |w:5.4|

OC(=O)c1cccc(c1)N=NCc1ccc(cc1)-c1ccccc1 |w:9.9|

CCN(CC)c1ccc(C=NNC(=S)NC)c(O)c1 |w:10.10|

[O-][n+]1ccccc1SCC(=O)c1cc(Cl)ccc1Cl

FC(F)Oc1ccc(NC(=O)c2ccccn2)cc1Cl

CCc1sc(cc1C)C(=O)N1CCc2ccccc12

CCc1ccc(cc1)-c1cc(N)n(n1)-c1ccccc1

Cc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1

C1CN(CCO1)c1nc(cs1)-c1cc2ccccc2o1

COc1cccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c1OC

CC(=NNC(=O)c1ccc(Cl)cc1)c1cccs1 |w:2.2|

OC(=O)c1ccc(cc1)N=NCc1ccc(cc1)-c1ccccc1 |w:9.9|

O=C(Nc1ccc2OCCOc2c1)\C=C\c1ccco1

CCCCc1ccc(NC(=O)c2cnccn2)cc1

CSc1ccc(\C=C\C(=O)Nc2ccccc2)cc1

COc1ccc(-c2csc(n2)-c2ccccc2)c(OC)c1

Cc1ccccc1Nc1nc(N)nc(CSc2ccc(F)cc2)n1

COc1cccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c1

Cc1ccc(NC(=O)c2ccccn2)c(Br)c1

CSc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1

OC(=O)c1cc(ccc1Cl)N=NC=CCc1ccccc1 |w:10.10,13.14|

Cc1ccnc(NC(=O)c2cc3ccccc3oc2=O)c1

Cc1ccc(NC(=O)c2cc3CCCCc3s2)cc1

O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)C1CCCC1

Clc1ccc(C=CC(=O)Nc2cccc(c2)S(=O)(=O)NC2=NCCC2)c(Cl)c1 |w:6.6,t:21|

NC(=NOC(=O)COc1ccc(Cl)cc1Br)c1ccncc1 |w:2.2|

OC(=O)c1ccc(CN=Nc2ccc(F)cc2F)cc1 |w:9.9|

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

Oc1ccc(C(=O)Cc2ccc3ccccc3n2)c(O)c1

OC(=O)c1ccc(cc1)N=NCc1cn(nc1-c1cccs1)-c1ccccc1 |w:10.11|

CSc1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:8.8|

Fc1ccccc1SCc1nnc(o1)-c1ccccc1Br

CSc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1 |w:8.8|

O=C(\C=C\c1ccco1)N1CCc2ccccc12

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CNC2CC2)cc1

COc1ccc(\C=C\c2cccc(O)c2O)cc1

COc1ccc(\C=C\c2ccc(O)c(O)c2)cc1

COc1ccc(\C=C\c2cccc(OC)c2)cc1

CN(C)c1ccc(\C=C\c2ccccc2)cc1

CCOc1ccc(\C=C\c2ccccc2)cc1

COc1ccc(\C=C\c2ccccc2F)cc1

COc1ccc(\C=C\c2cccc(Cl)c2)cc1

COc1ccc(\C=C\c2cccc(F)c2)cc1

COc1ccc(\C=C\c2ccccc2Cl)cc1

COc1ccc(\C=C\c2cccc(C)c2)cc1

COc1ccc(\C=C\c2ccc(C)cc2)cc1

C(=C/c1ccc2ccccc2c1)\c1ccccc1

Brc1ccccc1N\C=C/C(=O)c1ccc2OCOc2c1

OC(=O)c1cccc(c1)-c1cnc(Nc2ccccc2F)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2cccc(F)c2)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2c(F)cccc2F)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2ccc(F)cc2F)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2cc(F)ccc2F)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2cccc(F)c2F)o1

OC(=O)c1cccc(c1)-c1cnc(Nc2c(F)cc(F)cc2F)o1

OC(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2F)o1

OC(=O)c1ccc(cc1)-c1cnc(Nc2cc(F)ccc2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2ccccc2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2cccc(F)c2)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2ccccc2)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2c(F)cccc2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2ccc(F)cc2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2cc(F)ccc2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2cccc(F)c2F)o1

COC(=O)c1cccc(c1)-c1cnc(Nc2c(F)cc(F)cc2F)o1

COC(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2F)o1

COC(=O)c1ccc(cc1)-c1cnc(Nc2cccc(F)c2)o1

COC(=O)c1ccc(cc1)-c1cnc(Nc2ccc(F)cc2F)o1

COC(=O)c1ccc(cc1)-c1cnc(Nc2cc(F)ccc2F)o1

COC(=O)c1ccc(cc1)-c1cnc(Nc2c(F)cccc2F)o1

COC(=O)c1cccc(c1)-c1cnc(o1)N(C)c1ccc(F)cc1

Fc1ccccc1Nc1nc(no1)-c1ccccn1

CN(c1ncc(o1)-c1cccc(c1)C(O)=O)c1ccc(F)cc1

OC(=O)c1cccc(c1)-c1cnc(Nc2ccc(Cl)cc2)o1

CNC(=O)c1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

Cc1noc(n1)-c1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

NCc1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

Nc1cccc(c1)-c1cnc(Nc2ccc(F)cc2)o1

CNC(=O)c1cccc(c1)-c1cnc(o1)N(C)c1ccc(F)cc1

OC(=O)c1cccc(c1)-c1cnc(o1)-c1ccccc1F

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5

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

COc1cc2c3c(oc(=O)c4cc(O)c(OC)c(oc2=O)c34)c1OC

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](OC(=O)c1ccc(Cl)cc1)C2(C)C |r,t:9|

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|

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

C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2 |r,c:10|

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

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

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

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

[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](OC(=O)\C=C\c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|

C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:11|

CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:12|

COc1c(OC)c2oc(=O)c3cc4OCOc4c4oc(=O)c(c1OC)c2c34

COc1c(C)c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1C

C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C |r,c:8|

[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)c(OC)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|

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

COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)\C=C\c1ccc(O)cc1

[H][C@@]1(C[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1)O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H](CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1)C1=CC(=O)OC1 |r,t:52|

CC(C)(C=C)c1cc(C(=O)c2c(oc3cc(O)ccc23)-c2cc(c(O)cc2O)-c2cc3cc(c(O)cc3oc2=O)C(C)(C)C=C)c(O)cc1O

COc1ccc(\C=C\C(=O)c2nnn(c2C)-c2ccc(Cl)cc2)cc1OC

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O |r,wU:11.13,7.8,19.21,1.0,15.17,wD:4.4,23.27,17.19,c:23,TLB:20:19:15:24.25,THB:11:15:22.21.19:24.25,26:25:15:22.21.19,10:9:6:3.2.1,(.84,2.43,;.75,.58,;2.26,1.18,;3.44,.1,;3.11,-1.46,;4.56,-1.96,;1.77,-1.17,;.46,-1.03,;.82,-2.65,;2.42,-2.9,;3.13,-4.25,;-1.09,-1.15,;-1.86,-2.47,;-1.11,-3.8,;-3.39,-2.46,;-1.75,.24,;.07,.57,;-1.64,1.56,;-2.65,.41,;-2.61,2.98,;-4.12,3.15,;-1.48,4.02,;-1.62,2.79,;-.63,1.28,;1,1.21,;-.22,1.78,;0,3.29,)|

[H][C@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)c1c2cccc1C

CCCCCCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN

CCCCCCCCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN

CCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN

CCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN

Cc1cccc([C@H](C)C[C@H](C)CO)c1/C=C/C=C/C(=O)O

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:35|

CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS([O-])(=O)=O)[C@H]5[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]5(C)C4=CC[C@]23C)OS([O-])(=O)=O)CC1C |r,c:36|

C[C@H](CCC(C)C(C)(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O |r,c:40|

CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36|

COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|

COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:16|

COc1ccc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1)-c1cccs1 |t:14|

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]

[#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]

[#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c2-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c12

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c4c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|

[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6@H](-[#6@@H](-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O)C([#6])([#6])[#8] |r|

CO[C@H]1OC[C@@H](O[C@H]1Oc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)OC)c1ccccc1)c1ccc(OC)cc1)[C@H](O)CO |r|

CC(C)(O)[C@@H]1CC[C@@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]34C)[C@H]2O1 |r|

CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)OC(C)(C)[C@@H]3CC[C@@]21C |r|

CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)OC(C)(C)[C@@H]3CC[C@@]21C |r|

CC(C)C1=CC2=C(CO)C(=O)C[C@@H](O)[C@]2(C)CC1 |r,c:5,t:3|

COc1ccc(cc1)[C@]23[C@@H]([C@H]([C@H]([C@]2(c4c(cc(cc4OC)O[C@H]5[C@@H](OC[C@@H](O5)[C@@H](CO)O)OC)O3)O)O)C(=O)OC)c6ccccc6

[#6]\[#6](-[#6])=[#6]\[#6][C@]12[#8]C([#6])([#6])[#6@H]3-[#6]-[#6@H](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cc(-[#8])cc5-[#8][C@]134)-[#6]2=O |r,t:13,TLB:28:27:26:6.7,28:27:13.14:11.10,4:5:13.14:11.10,6:5:13.14:11.10,THB:13:12:26:6.7|

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8]-[#6](-[#6])=O)cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8]-[#6](-[#6])=O)cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6](-[#6])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1cc2oc3c(-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]

[#6]-[#8]-c1cc2oc3cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8]-[#6](=O)-c2ccccc2)cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

COc1c(O)cc2oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c2c1CCC(C)(C)O

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8]-[#6](-[#6])=O)cc1c2=O

[#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1

[#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8]-[#6](=O)-c3ccccc3)cc1c2=O

C[C@H]1CCCC(=O)C(=O)C(=O)CCCc2cc(O)cc(O)c2C(=O)O1

COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|

COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|

COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|

C[C@H]1CCCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O

Fc1cccc(c1)-c1cccc(c1)C(=O)\C=C\c1ccc(Cl)cc1

Fc1cccc(c1)-c1cccc(c1)C(=O)\C=C\c1cccc(Br)c1

COc1ccccc1\C=C\C(=O)c1cccc(c1)-c1cccc(F)c1

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)cc1

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)cc1OC

COc1cccc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)c1OC

COc1cc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)ccc1O

Fc1cccc(c1)-c1cccc(c1)C(=O)\C=C\c1ccccc1Br

Fc1cccc(c1)-c1cccc(c1)C(=O)\C=C\c1ccc(Br)cc1

Fc1ccc(cc1)C(=O)\C=C\c1cccc(c1)-c1ccc(F)cc1

Oc1ccc(cc1)C(=O)\C=C\c1cccc(c1)-c1ccc(F)cc1

COc1ccc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)cc1

COc1ccc(\C=C\C(=O)c2ccc(NC(C)=O)c(c2)-c2ccc(F)cc2)cc1OC

COc1ccc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)cc1OC

COc1ccc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)c(OC)c1

COc1ccc(OC)c(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)c1

COc1cccc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)c1OC

COc1cc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)ccc1O

COc1cc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)cc(OC)c1OC

Nc1ccc(cc1-c1ccc(F)cc1)C(=O)\C=C\c1ccc(O)c(F)c1

COc1cc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(F)cc2)cc(Br)c1O

COc1ccc(cc1OC)-c1cc(ccc1N)C(=O)\C=C\c1ccc(F)cc1

COc1ccc(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(OC)c(OC)c2)c(OC)c1

COc1ccc(OC)c(\C=C\C(=O)c2ccc(N)c(c2)-c2ccc(OC)c(OC)c2)c1

COc1ccc(cc1OC)-c1cc(ccc1N)C(=O)\C=C\c1cccc(OC)c1OC

COc1ccc(cc1OC)-c1cc(ccc1N)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

COc1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1

COc1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1OC

COc1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1O

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2ccc(F)cc2)cc1

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2ccc(F)cc2)cc1OC

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2cccc(F)c2)cc1O

COc1ccc(\C=C\C(=O)c2cccc(c2)-c2ccc(F)nc2)cc1O

O=S(=O)(Nc1cccc2cccnc12)c1cccs1

Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12

COc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2ccc(C)nc12

[O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F

Cc1ccc2cccc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)c2n1

O=S(=O)(Nc1cccc2cccnc12)c1ccccc1

Cc1ccc(cc1)S(=O)(=O)/C=C/C#N

Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(cc-34)C(F)(F)F)c2n1

COc1ccc2c(c1)-c1ccc3ccc(C)nc3c1NS2(=O)=O

Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(O)cc-34)c2n1

COc1cc2ccc(C)nc2c2NS(=O)(=O)c3ccc(C)cc3-c12

COc1cnc2c3NS(=O)(=O)c4ccccc4-c3ccc2c1

Clc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O

Fc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O

COc1cc2cccnc2c2NS(=O)(=O)c3ccc(C)cc3-c12

FC(F)(F)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O

Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O

COc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O

O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12

Cc1ccc2cccc(NS(=O)(=O)c3ccc(Br)s3)c2n1

Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2n1

Brc1ccc(s1)S(=O)(=O)Nc1cccc2cccnc12

Clc1ccc(s1)S(=O)(=O)Nc1cccc2cccnc12

COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1

Cc1ccc2cccc(NS(=O)(=O)c3ccccc3N)c2n1

COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C)ccc2c1

COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+]([O-])=O)c2ncccc2c1

Cc1ccc2cccc(NS(=O)(=O)c3ccc(cc3[N+]([O-])=O)C(F)(F)F)c2n1

Cc1ccc(cc1S(=O)(=O)Nc1cccc2cccnc12)[N+]([O-])=O

CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccc(C)cc1

Cc1ccc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1

[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12

COc1cc(O)cc(\C=C\c2ccc(OC)c(OC)c2)c1

CC1(C)Oc2c3[C@@H]1Cc1c(oc4c5C=CC(C)(C)Oc5cc(O)c4c1=O)-c3c(O)cc2O |r,c:14|

CC(=C)[C@H]1Cc2c(O)c3c(oc2-c2c(O)cc(O)c(O)c12)c1C=CC(C)(C)Oc1cc3=O |r,c:25|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-[#6]-2=[#6](-[#6]-1=O)-c1oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c3c(-[#8])c1-[#6]-[#6@@H]-2-[#6](-[#6])=[#6] |r,c:10|

CC1(C)Oc2cc3Oc4cc(O)ccc4C(=O)Cc3cc2C=C1 |c:24|

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3-c4cc(-[#8])c(-[#8])cc4-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c3c(=O)c2c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc-3c(-[#6]-[#6@H](-[#6](-[#6])=[#6])-c4c(-[#8])c(-[#8])cc(-[#8])c-34)c(=O)c2c1-[#8] |r|

CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O |r,t:14,19|

OC[C@H]1O[C@@H](Oc2ccc(CC[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(O)c([C@@H](CCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4O[C@@H](CC(=O)c4c3O)c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|