Compound Name

SMILES String

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

Brc1c(OCC(=O)Nc2cccnc2)ccc2ccccc12

Brc1ccc(cc1)-n1ccc(CN=O)c1

Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

Brc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1

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

Brc1ccccc1OCCN1C(=O)c2ccccc2C1=O

C(=Cc1ccc2ccccc2n1)c1c[nH]c2ccccc12

C(N=Nc1ccc2ccccc2n1)c1ccc2OCOc2c1 |w:2.2|

C1CC1NC1=NN=C(CS1)c1ccccc1 |c:7,t:5|

C1CCc2c(C1)sc1nc(cn21)-c1ccccc1

C1Oc2ccc(C=Cc3nc4ccccc4o3)cc2O1

C1Oc2ccc(cc2O1)-c1nnc(Nc2ccccc2)o1

CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 |w:2.2|

CC(=NNC(=O)c1ccccc1O)c1cccs1 |w:2.2|

CC(=NNC(=O)c1cccs1)c1cccc(N)c1 |w:2.2|

CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)C(F)(F)F)c1 |w:2.2|

CC(=O)Nc1ccc(cc1)-c1ccnc2OC(Cc12)C(=O)NCc1ccccc1

CC(=O)Nc1ccc(cc1)-c1ccnc2OC(Cc12)C(=O)NCc1ccco1

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

CC(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O

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

CC(=O)c1cccc(c1)-c1ccnc2OC(Cc12)C(=O)NCc1ccccc1

CC(=O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ccc2CCCc2c1

CC(C)C(NC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCc1ccccc1

CC(C)CN(C(=O)c1ccc2OCCOc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

CC(C)COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1

CC(C)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1

CC(C)Oc1ccc(CNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 |c:20|

CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1

CC(C)c1nnc(NC(=O)c2ccc3OCOc3c2)s1

CC(NC(=O)c1cc2CC(C)CCc2s1)C1CCCO1

CC(Nc1ccccc1)=C1C(=O)NC(Cc2cccc(F)c2)C1=O |w:1.0|

CC(Nc1ccccc1)=C1C(=O)NC(Cc2ccccc2)C1=O |w:1.0|

CCC1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1

CCC1CS\C(=N/c2ccc(C)cc2)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O

CCCC(=O)N1CCCC(C1)c1cc(no1)C(=O)Nc1ccc2OCOc2c1

CCCCCCC[C@@H](C\C=C\CCC(=O)N(C)C\C(C\C(OC)=C/C(=O)N1CC(OC)=CC1=O)=C\Cl)OC |c:30|

CCCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1

CCCn1cnc2cc(NCc3ccccn3)ccc12

CCN(C1CCCCC1)C(=O)c1cc2c(nc3ccccn3c2=O)n1C

CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(C)o1 |c:7|

CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2Sc3c(C)ccc(C)c3C(C)=Nc2c1 |c:30|

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1

CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12

CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12

CCOC(=O)c1c(C)c(C)c(C)nc1SCC(=O)Nc1nccs1

CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccc(CN2CCC(C)CC2)cc1

CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12

CCOc1ccc(NC(=O)c2ccc3SCCN(C)c3c2)cc1

CCOc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1

CCOc1ccc(cc1)N(CC(=O)Nc1ccccc1OCC)S(=O)(=O)c1c(C)noc1C

CCOc1cccc(\C=C\c2ccc3ccccc3n2)c1OC(C)=O

CC[C@@H](C)[C@H](C(CC(=O)N1CCCC1[C@@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C

CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|

CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49|

CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|

CCc1ccc(CNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 |c:18|

CCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1

CCc1ccc(NC(=O)c2cnn3ccccc23)cc1

CCc1cccc2c(c[nH]c12)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O

CCc1cccc2c(c[nH]c12)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O

CCc1cccc2c(c[nH]c12)C(=O)CN1C(=O)NC2(CCc3ccccc23)C1=O

CN(C)CCN(C(=O)c1ccc2CCCCc2c1)c1nc2cc3OCCOc3cc2s1

CN(C)c1ccc(NC(=O)c2cnsn2)cc1

CN(C)c1cccc(c1)C(=O)N\N=C\c1ccccc1F

CN(C1CCCCC1)C(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1

CN(C1CCOC1)C(=O)c1oc2c(Cl)cc(C)cc2c1C

CN(CCC#N)c1ccc(\C=C(/C#N)c2ccccn2)cc1

CN(Cc1ccccc1)Cc1cc(=O)oc2cc(C)ccc12

CN(c1cccc(C)c1)S(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1

CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc34)cc12

CN1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1

CN1CCN(CC1)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

CN1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)COc2ccc(Cl)cc2)c1

CN1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)COc2ccccc2)c1

CN1CCN([C@H](C1)c1ccccc1)C(=O)c1cc(COc2ccccc2)on1

CN1OC[C@@H]2CN[C@@H](C[C@H]12)c1ccc(cc1)-c1cccc(F)c1

CNCC(O)c1ccc(O)c(O)c1

CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12 |r|

CNc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1

COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1

COC(=O)Nc1nc2ccc(cc2[nH]1)C(=C)c1cccs1

COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)C1CC1

COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1

COC(=O)c1ccc2nc(cn2c1)-c1ccc2OCOc2c1

COC(=O)c1ccc2nc(cn2c1)-c1cccc(N)c1

COC(=O)c1sccc1NC(=O)Nc1ccc(C)cc1

COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1C

COCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)c1C

COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c1OC |r|

COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC

COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1

COc1c(OC)c(C=O)c2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c1OC

COc1cc(CN=Nc2ccccn2)ccc1OCC=C |w:6.5|

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

COc1cc(OC)c2c(cc(=O)oc2c1)-c1cccc(c1)-c1ccc(NC(C)=O)cc1

COc1cc(\C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCCN1CCOCC1

COc1cc(cc(OC)c1OC)-c1cnc2c(NC=O)cc(cn12)-c1ccc(C)cc1

COc1cc(cc(OC)c1OC)C(=O)c1cc2OCOc2cc1C

COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|

COc1cc2CCC(N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

COc1cc2CCC(NC(=O)c3ccccc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r|

COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|

COc1cc2c(O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC

COc1cc2ccccc2cc1C(=O)Nc1cc(C)ccn1

COc1ccc(C(=O)CSc2nccn2C)c(OC)c1

COc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)c(OC)c1

COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c(OC)c1

COc1ccc(C=C2CCc3ccccc3C2=O)cc1

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

COc1ccc(COC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1F

COc1ccc(NC(=O)C(=O)NCC2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1

COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCOC2)c1 |c:17|

COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC

COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1

COc1ccc(c(OC)c1)-c1cc(NC=O)c2ncc(-c3ccc(OC)c(OC)c3)n2c1

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

COc1ccc(cc1)-c1cc(NC=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1

COc1ccc(cc1)-c1cc2nc3CCCn3c(=O)c2s1

COc1ccc(cc1)-n1nc2cc(C)c(NC(C)=O)cc2n1

COc1ccc(cc1)C(=O)NCCC1=CCCCC1 |t:14|

COc1ccc(cc1)C(=O)NCCS(=O)(=O)NCCc1ccccc1

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

COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1

COc1ccc(cc1)C(C)N=Nc1nccnc1Cl |w:10.10|

COc1ccc(cc1)C(CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)N1CCCC1

COc1ccc(cc1F)-c1cn2cc(C)ccc2n1

COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC

COc1ccc(cc1OC)-c1cnc2c(NC=O)cc(cn12)-c1ccccc1OC

COc1ccc2C(CCCc2c1)=NNC(=O)c1ccoc1C |w:12.14|

COc1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1

COc1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1

COc1ccc2sc(NC(=O)c3ccco3)nc2c1

COc1cccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)c1

COc1cccc(\C=C\C(=O)NNC(=O)c2ccccc2)c1OC

COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(CS(=O)c2ccccc2Cl)o1

COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc2OCOc2c1 |c:15|

COc1ccccc1C=C1CCc2ccccc2C1=O

COc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1

COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1

COc1ccccc1Nc1nnc(SCC2CCCCO2)s1

COc1ccccc1OCc1cc(no1)C(=O)N(C)CCC1CCCCO1

CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1

C[C@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1

C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|

Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C1CC1

Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1cccs1

Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c(C)o1

Cc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1

Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N

Cc1cc(C)c2nc(sc2c1)N1CCN(CC1)C(=O)c1ccco1

Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc2OCCOc2c1

Cc1cc(NC(=O)NC(=O)c2ccccc2F)no1

Cc1ccc(CN=Nc2ccc3ccccc3n2)o1 |w:7.7|

Cc1ccc(Cc2c(nc3cc(C)ccn23)-c2ccc(Br)cc2)cc1

Cc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1

Cc1ccc(NC(=O)c2ccc3snnc3c2)cc1C

Cc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1

Cc1ccc(cc1)-c1cc(no1)C(=O)N1CCCC1

Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1Cc1ccccc1

Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2OCCOc2c1

Cc1ccc(cc1)N=CCC(=O)c1cccs1 |w:7.7|

Cc1ccc(cc1)S(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1

Cc1ccc(o1)C(=O)Nc1ncccc1O

Cc1ccc2c(Cl)c(sc2c1)C(=O)NC1CC1

Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccs1

Cc1cccc(N2CCN(CC2)C(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)c1C

Cc1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)n1

Cc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:14|

Cc1cccnc1NC(=O)COc1ccc2CCCc2c1

Cc1ccn2c(Cc3ccccc3)c(nc2c1)-c1ccc(Br)cc1

Cc1ccn2n(C(=O)c3ccccc3)c(=S)nc2c1

Cc1ccnc(NC(=O)Cc2ccc(cc2)-c2ccccc2)c1

Cc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1

Cc1ccnc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)c2ccccc2)c1

Cc1ccnc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1

Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C)c1C

Cc1ccsc1\C=C\c1ccc2ccccc2n1

Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1

Cc1nc2sc(cc2c(=O)n1N)-c1ccccc1

Cc1noc(C)c1-c1ccc(C(=O)Nc2ccccc2)c2occc12 |(3.08,5.02,;4.54,5.5,;5.02,6.96,;6.56,6.96,;7.04,5.5,;8.5,5.02,;5.79,4.59,;5.79,3.05,;4.46,2.28,;4.46,.74,;5.79,-.03,;5.79,-1.57,;7.12,-2.34,;4.46,-2.34,;4.46,-3.88,;5.79,-4.65,;5.79,-6.19,;4.46,-6.96,;3.12,-6.19,;3.12,-4.65,;7.12,.74,;8.58,.27,;9.48,1.51,;8.58,2.75,;7.12,2.28,)|

ClCCN(CCCl)c1ccc(cc1)-c1nc2nc[nH]c(=O)c2[nH]1

Clc1ccc(-c2cc(no2)C(=O)N2CCOCC2)c(Cl)c1

Clc1ccc(NC(=O)c2ccc3nccnc3c2)nc1

Clc1ccc(OCC(=O)NC(=O)NC2CCCC2)c(Cl)c1

Clc1ccc(OCc2cc(no2)-c2ccccc2)c(Cl)c1

Clc1ccc(cc1)-c1nc2ccc(Br)cn2c1Cc1ccsc1

Clc1cccc(c1)-c1nc2ccc(Br)cn2c1Cc1ccccc1

Clc1ccccc1C=C1CCc2ccccc2C1=O

Clc1ccccc1NC(=O)NC1CCCCCCC1

Clc1ccccc1S(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1

Cn1ccc(n1)C(=O)Nc1sc2CCCCCc2c1C(N)=O

Cn1cccc1C(=O)NCC1COc2ccccc2O1

Cn1ncc(Cl)c1C(=O)Nc1ccc2CCCc2c1

Cn1nnnc1SCC(=O)Nc1ccc2OCCOc2c1

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

FC(F)(F)Sc1ccc(NC(=O)c2ccccn2)cc1

Fc1ccc(N=CCC(=O)c2ccco2)c(F)c1 |w:5.4|

Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2(CCCCC2)N2CCCCC2)cc1

Fc1ccc(OCC(=O)Nc2ccc3OCCOc3c2)cc1

Fc1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1

Fc1ccc2nc(sc2c1)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1

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

Fc1cccc(c1)N=CCC(=O)c1ccc2OCOc2c1 |w:7.7|

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

Fc1ccccc1CSc1nnc(NC(=O)C2=COCCO2)s1 |t:17|

Fc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCCCCC1

NC(=O)C1CCN(CC1)C(=O)c1cc2CCCCc2s1

Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(Cl)cccc2n1

Nc1cnn(C2OC(CO)C(O)C2O)c(=O)n1

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

O=C(CC=Nc1ccccn1)c1ccccc1 |w:4.4|

O=C(COc1ccccc1)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1

O=C(N\N=C\c1ccc2OCOc2c1)c1ccccn1

O=C(N\N=C\c1ccsc1)c1ccccn1

O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)C1=CSCCO1 |t:19|

O=C(Nc1ccccc1)C(=O)Nc1ccc2CCCN(C(=O)C3CC3)c2c1

O=C(Nc1sc2CCCCc2c1C#N)\C=C\c1ccco1

O=C(\N=c1/nc2ccccn2s1)c1ccccc1

O=Nc1c2ccccc2c2n[nH]c(cc12)-c1ccccc1

O=c1oc2ccccc2cc1-c1nc2CCCCc2s1

OC(=O)c1cc(\C=C\c2ccc(cc2)N2CCOCC2)nc2ccccc12

OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)c1

OC[C@H]1O[C@@H](C[C@@H]1O)c1nc(cs1)-c1nc(no1)-c1cccs1

ONC(=O)CCCCCCC(=O)Nc1ccccc1

O[C@H]1CCN(C1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

Oc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(O)c1

Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1

Oc1cccnc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

S=C(NCCc1ccccc1)Nc1ncccn1

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

[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:6,9|

[#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|

[H]C12CC(=O)OC3([H])CC(C)CC=C(C)C4([H])C=C(CC5CCN=C(CC\C=C(/C)\C=C\C(O)CCC6([H])OC([H])(CC(O)C6O)C(O)\C(C)=C\3)C45C)CC3([H])CC(O)C(O)C([H])(CCCC(=C)CC(O)C([H])(O1)C(O)C2O)O3 |c:12,17,27,t:23,30,50,(18.71,5.64,;18.26,4.8,;16.98,5.25,;15.62,5.27,;15.4,6.79,;14.32,4.87,;13.21,4.09,;13.22,3.14,;14.52,4.89,;15.87,4.14,;17.22,3.4,;15.9,2.6,;14.59,1.81,;14.62,.27,;15.96,-.48,;13.3,-.53,;12.47,-.05,;13.3,1.01,;11.96,1.78,;10.63,1.01,;10.63,-.53,;9.23,-1.31,;9.22,-2.91,;10.6,-3.72,;11.99,-2.9,;12.02,-4.44,;10.72,-5.2,;9.37,-4.46,;8.05,-5.25,;8.08,-6.79,;6.71,-4.51,;6.67,-2.97,;5.33,-2.23,;4.01,-3.02,;5.3,-.69,;6.61,.11,;6.58,1.65,;5.77,1.16,;7.91,2.44,;7.87,3.99,;7.85,4.94,;6.52,4.73,;5.2,3.93,;3.86,4.68,;5.24,2.39,;3.92,1.6,;9.19,4.78,;9.16,6.32,;10.54,4.04,;10.57,2.5,;11.86,4.83,;11.96,-1.3,;12.73,-2.63,;11.92,.42,;12.31,-.88,;11.45,-1.29,;13.42,.14,;14.87,-.3,;15.99,.76,;15.23,-1.77,;16.71,-2.19,;14.15,-2.83,;13.7,-3.67,;15.43,-3.28,;16.79,-3.32,;18.1,-2.93,;19.21,-2.16,;20.28,-3.27,;20.04,-1.08,;20.49,.21,;22,-.07,;20.51,1.57,;21.46,1.7,;18.45,2.53,;20.12,2.87,;21.51,3.54,;19.34,3.98,;20.45,5.05,;13.08,-2,)|

[H]C12CC([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(NCCCC)ccc21 |TLB:27:28:2:5.7.6,THB:19:18:2:5.7.6,8:5:2:28.18|

[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)c1ccc(NC(=O)\C=C\c2ccc(OC)c(OC)c2)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|

[H]C12CCC([H])(C1)C(C2)C=NNC(=O)c1ccco1 |w:10.12,TLB:9:7:6:3.2|

[H][C@@]12\C=C\C[C@H](C)C(=O)[C@](C)(O)\C=C\[C@@H](OC(C)=O)[C@@]11C([C@H](Cc3ccccc3)NC1=O)C(C)C(=C)[C@H]2O |t:2,12|

[H][C@]12C[C@]3([H])CC([H])(C1)CN(C(=O)c1cc(COc4ccc(F)cc4Cl)on1)C([H])(C2)C3 |TLB:8:1:31:10.6.5.9,8:6:31:1.2.30,THB:11:10:31:1.2.30,9:6:2:28.31.30,10:28:2:6.5.8|

[O-][N+](=O)c1ccc(COc2ccc(CN3CCOCC3)cc2)cc1

[O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1

[O-][n+]1ccccc1SCC(=O)c1ccc(cc1)-c1ccccc1

c1ccc(cc1)-c1nc(oc1-c1ccccc1)-c1nccc2ccccc12