445 SMILES Strings for Nuclear hormone receptor family member daf-12

Compound Name
SMILES String
CN1\C(Sc2ccccc12)=C/C(=O)c1cccs1
N(c1nc(cs1)-c1cccs1)c1ccccn1
Cn1c(nc2cc3ccccc3cc12)-c1ccco1
Clc1cccc(c1)-c1nc(no1)-c1ccccn1
Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1
O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1
COc1ccc2c(c1)occ(-c1nc(C)cs1)c2=O
O=C(c1cccs1)c1ccc(s1)-c1cccs1
Nc1c(Br)cc2oc(nc2c1Br)-c1ccccc1
Cc1ccsc1C(=O)OCc1csc(n1)-c1ccccc1
Nn1c(nc2sc3CCCCc3c2c1=O)-c1cccs1
Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1Cc1cccs1
Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1
COc1ccc(cc1)-c1cc(=O)c2ccccc2s1
Cc1ccc(cc1)N=C1Nc2ccccc2CS1 |w:7.7|
OP1(=O)C=C(OC(=C1)c1ccccc1)c1ccccc1 |c:3,6|
[#8]-c1ccccc1-[#7]\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
O=C1C(C(=O)c2ccccc12)c1nccc2ccccc12
c1ccc(nc1)-c1noc(n1)-c1cccc2ccccc12
Fc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
COc1cccc(c1)-c1nc(no1)-c1ccccc1
Fc1ccc(cc1Cl)N=CCC(=O)c1ccco1 |w:8.8|
COc1ccc(cc1)-c1cn2c3CCCCc3sc2n1
c1ccc2oc(nc2c1)-c1ccc2ccccc2n1
CCOC(=O)c1c(C)nc(nc1N)-c1ccccc1
Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Fc1ccccc1-c1nc(no1)-c1ccccc1
COc1ccccc1-c1nc(no1)-c1cccc(C)c1
Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C
COc1ccc(cc1)-c1noc(n1)-c1ccccc1F
COc1ccccc1-c1nc(no1)-c1ccccn1
COc1cccc(c1)-c1nc2cc(C)ccc2o1
Cc1ccc(cc1)-c1noc(n1)-c1cccs1
O=[#6]-1\[#6](=[#6]\[#7]-[#6]-c2ccco2)-[#6](=O)-c2ccccc-12
Brc1ccc(o1)-c1nc(no1)-c1ccccn1
Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc1nccs1
Clc1ccc(NC(=O)COc2ccccc2Cl)nc1
COc1ccccc1Nc1nc(cs1)-c1cccs1
Cc1ccc(cc1)-c1noc(n1)-c1ccccc1Br
Oc1cccc(c1)N=CCC(=O)c1ccccc1 |w:7.7|
COc1ccc(cc1)-c1cn2ccc3ccccc3c2n1
O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O
Cc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
Cc1cccc(Nc2nc(cs2)-c2cccs2)n1
Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)cc(C)c2c1N
Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)ccc2c1N
Cc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Clc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
COc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Brc1ccc(cc1)-n1ncc2ccccc2c1=O
Clc1ccc(cc1)-n1ncc2ccccc2c1=O
Cc1ccc(CSc2nc3ccncc3[nH]2)cc1
COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
O=[#6]-1\[#6](=[#6]\[#7]-c2ccccc2)-[#6](=O)-c2ccccc-12
Cc1ccc(cc1)-c1nc(N=NCc2ccncc2)c2ccccc2n1 |w:10.10|
Clc1ccccc1NN=c1c(=O)c2ccccc2c1=O |(11.95,-3.35,;12.72,-2.02,;14.26,-2.02,;15.03,-.68,;14.26,.65,;12.72,.65,;11.95,-.68,;10.41,-.68,;9.64,.65,;8.1,.65,;7.2,1.89,;7.68,3.35,;5.75,1.42,;4.41,2.19,;3.08,1.42,;3.08,-.12,;4.41,-.89,;5.75,-.12,;7.2,-.59,;7.68,-2.05,)|
CCc1ccc(NC(=O)c2cnn3ccccc23)cc1
[O-][N+](=O)c1cccc(c1)N=CCC(=O)c1cccs1 |w:9.9|
NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
CN1\C(Sc2ccccc12)=C\C(=O)c1cccs1
CC(=Nc1ccc(C)cc1)c1sc2ccccc2c1O |w:2.2|
Cc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
COc1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O
Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1
C1COc2cc(Nc3nc(cs3)-c3ccccc3)ccc2O1
COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1cccs1
COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Cc1ccc2nc(CSc3nc(C)ccc3C#N)[nH]c2c1
CC(N=Nc1nc2CCCCc2s1)c1ccccc1 |w:3.3|
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C |w:10.10|
Cc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:6.5|
Cn1cc(Cl)c(n1)C(=O)Nc1nc2ccccc2s1
COc1ccc(C(N)=S)c(OC)c1
[O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
Cc1ccc2nc(CSc3nc(C)cc(C)c3C#N)[nH]c2c1
Fc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
COc1ccc(cc1)C1=c2cc(OC)ccc2=NC(=NN1)c1cccs1 |c:9,18,20|
CSc1ccccc1-c1nnc(o1)-c1ccccc1
CSc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
Clc1ccc(\C=C\c2nc3ccccc3[nH]2)c(Cl)c1
Cc1ccccc1-c1cc(on1)-c1ccccc1O
Oc1ccccc1-c1cc(no1)-c1ccccc1
Fc1cccc(c1)N=CCC(=O)c1cccs1 |w:7.7|
Fc1ccc(cc1)N=CCC(=O)c1cccs1 |w:7.7|
NC(=NOC(=O)c1ccccc1Cl)c1ccccc1 |w:2.2|
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1
NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |w:2.2|
Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
Cc1ccc(cc1Cl)N=CC(C(=O)c1ccco1)C(=O)C(F)(F)F |w:8.8|
CCOC(=O)c1sc2nc(ccc2c1N)-c1ccccc1
NNc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Cc1ccnc(NC(=S)NC(=O)c2cccs2)c1
NC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O
Fc1cccc(F)c1\C=C\c1ccc2ccccc2n1
O=C(N\N=C\c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)c1cccnc1
O=C(\C=C\c1cccs1)N1CCc2ccccc12
c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3
CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
CC(N=Nc1nc2ccccc2s1)c1cccs1 |w:3.3|
CN1C(=O)\C(=N/NC(=O)c2ccoc2C)c2ccccc12
Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23 |w:8.9,t:11|
N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
OC(=O)c1cccc(c1)N=NCc1cccs1 |w:9.9|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2ccccc12 |w:8.9,t:2|
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(C)c1 |w:11.12|
Cc1cc(-c2ccccc2)n2ncc(-c3ccccc3)c2n1
Cc1ccc(cc1)C1=Nc2ccccc2N=C(C1)C(Cl)Cl |c:17,t:8|
Oc1ccccc1C=Cc1noc(n1)-c1ccccc1O |w:8.9|
Cc1csc(NC(=O)Nc2ccccc2[N+]([O-])=O)n1
Brc1ccc(NC(=S)NC(=O)c2cccs2)nc1
Cc1nc(NC(=O)c2cccs2)ccc1Br
COc1cccc(c1)-c1nc(no1)-c1cccs1
Cc1cc(ccc1F)N=CCC(=O)c1cccs1 |w:8.8|
Oc1cccc(CN=Nc2cccc3cccnc23)c1 |w:8.8|
Cc1ccc(cc1)-c1cc2nc(C)cc(C)n2n1
Oc1cccc(c1)-c1nc2cc(ccc2o1)[N+]([O-])=O
Fc1cccc2sc(C(=O)Nc3ccccn3)c(Cl)c12
O=C(Nc1ccccc1)Nc1cccc2nsnc12
CC(C)c1ccc(cc1)-n1nc2ccc(N)cc2n1
Cc1ccc2c(cc3[nH]c4ccccc4nc23)c1
Cc1ccsc1CN=Nc1cccc(c1)C(O)=O |w:8.9|
CCOC(=O)c1s\c(=N/C(=O)c2cccs2)n(C)c1C
CCOC(=O)c1s\c(=N/C(=O)c2ccc(Cl)s2)n(C)c1C
Nc1nn(cc1-c1ccc(Cl)cc1)-c1cccc(F)n1
CC(C)c1ccc(cc1)-n1cnn(-c2ncccc2[N+]([O-])=O)c1=O
Cc1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
Cc1c(-c2ccccn2)c(=O)[nH]n1-c1ccc(F)cc1
Cc1ccc(cc1)-c1nc2ccsc2c(=O)[nH]1
Cc1cccc(c1)-c1cc2c(N=O)c3ccccc3c2n[nH]1
O=C(Nc1nc2ccccc2s1)c1ccccc1
Cc1ccc2n(C)\c(=N\C(=O)c3cccs3)sc2c1
CC(C)NC1=NN=C(CS1)c1cccs1 |c:6,t:4|
Fc1cccc(F)c1CN=Nc1ccccn1 |w:10.11|
[O-][N+](=O)c1ccccc1-c1ccc(o1)C(=S)N1CCCC1
COc1ccc(cc1)C(=O)\N=c1/sc2ccccc2n1C
Fc1cccc(Cl)c1CN=Nc1ccccn1 |w:10.11|
N(N=Cc1ccccn1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
Cc1csc(SCC(=O)Nc2sccc2C#N)n1
Cc1ccc(cc1)\N=N\c1cc(C)ccc1N
COc1ccc(-c2csc(n2)-c2ccccc2)c(OC)c1
Clc1nc2sccn2c1C(=O)N(C(=O)c1c(Cl)nc2sccn12)c1ccc(Cl)cn1
CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(O)c(O)c1O |w:14.15,1.0|
CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1 |w:10.10|
[O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1
Cn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Nc1c2CCc3ccccc3-c2nc2sc3CCCCc3c12
Oc1c(N=Nc2ccccc2)sc2ccccc12 |w:3.2|
c1ccc(nc1)-c1nnc(s1)-c1ccccn1
Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
COc1ccc(cc1)C(=O)CC=Nc1cc(C)ccn1 |w:12.13|
NC(SCC=C)=NN=Cc1c(O)ccc2ccccc12 |w:7.6,1.0|
Cc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1 |w:6.5|
Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1ccccc1 |w:4.3,c:8|
OC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
c1cc(sc1-c1ccccn1)-c1ccccn1
C(N=Nc1ccccc1)c1nc2ccccc2s1 |w:2.2|
C1C2CCc3ccccc3C2=NN1c1ccccc1 |c:12|
CCCC#Cc1ccc-2c(COc3n-2nc2ccccc32)c1
c1ccc(cc1)-c1cnc(nn1)-c1ccccc1
Cc1ccccc1NNC1=c2ccccc2=NC1=O |c:10,17|
CC(=O)n1nc(cc1-c1ccccc1)-c1ccccc1
CSc1ccc(cc1)C1=NNC(S1)c1ccccc1 |t:9|
c1cc2cccccc2c1\N=N\c1ccccc1
Cc1ccc(O)c(c1)-c1cc(no1)-c1ccc(F)cc1
CC(C)N(CCO)Cc1nc(oc1C)-c1ccc(cc1)-c1ccccc1
Cc1ccsc1C=NN=Cc1sccc1C |w:7.8,9.10|
Cc1csc(N=NCc2ccccc2F)n1 |w:5.4|
Cn1c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=N
CC(=NN=C(C)c1cccs1)c1cccs1 |w:2.2,4.4|
O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1
Cc1cc(C)nc(Nc2nc(cs2)-c2ccccc2)n1
Cc1ccc(-c2cc([nH]n2)-c2ccc(F)cc2)c(O)c1
CC([NH+]=Nc1ccccc1[N+]([O-])=O)[c-]1ccccc1=O |w:2.1|
Cc1ccc(Nc2nc(cs2)-c2ccccc2)nc1
NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12
NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
N(c1nc(cs1)-c1ccccc1)c1ccccn1
Cc1cccc(Nc2nc(cs2)-c2ccccc2)n1
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1
CCc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1 |w:10.10|
Cc1cc2ncc(nc2cc1C)-c1cccs1
Cc1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12
Cc1ccccc1C(=O)ON=C(N)c1ccccc1 |w:10.10|
COc1ccccc1C(=O)NC(=O)Nc1cccc(Cl)c1
Cc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Cc1ccc(cc1C)-c1cnc2ccccc2n1
Cc1cccc2=C(NNc3ccccc3)C(=O)N=c12 |c:5,t:18|
Fc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Cc1ccc(Nc2nc(cs2)-c2cccnc2)cc1C
COc1cccc(NC(=O)n2ncc3c(C)cccc23)c1
Fc1cccc(Cl)c1\C=C\c1cnc2ccccc2n1
CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1 |w:6.6|
Nc1cccc2C(=O)N(CCOc3ccccc3F)C(=O)c12
Oc1ccccc1C(=O)Nc1ccc2ccccc2c1
Brc1ccccc1C1NC(=NO1)c1ccccc1 |c:10|
Nc1nc2c(nnn2c2ccccc12)-c1ccc(Br)cc1
Fc1ccccc1NC(=O)Nc1nc2ccccc2[nH]1
Clc1ccccc1-c1cc(no1)C(=O)N1CCCC1
CC1CCCCN1C(=O)CSc1nnc(o1)-c1ccccc1O
COc1ccccc1C(=O)NC(=S)Nc1cccnc1Cl
CCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1
Cc1ccnc(NC(=O)Cc2ccc(cc2)-c2ccccc2)c1
COc1ccc2oc(C(=O)Nc3ccccn3)c(C)c2c1
COc1c(Cl)scc1C(=O)Nc1nnc(s1)C1CC1
Cc1ccc(cc1)-c1cc(no1)-c1ccccc1
Cc1csc(NC(=O)c2oc3ccccc3c2C)n1
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r|
COc1ccc(cc1)-c1cc2ccccc2cn1
CN(C)c1ccc(cc1)-c1cc2ccccc2c(=O)o1
O=C(CSc1nncs1)Nc1sccc1C#N
[H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1
CC(C)c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)cc1 |w:8.7|
O=C1C(Cc2ccccc12)=C1CCc2ccccc12
Clc1ccc(C=Cc2ccccn2)c(Cl)c1
NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2CCCc12
CNc1ccc(C=C2C=Cc3ccccc23)cc1 |c:8|
Cc1cc2NP(=S)(Nc2cc1C)c1ccccc1
Fc1ccc(cc1)-c1nnc(o1)-c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nnc(o1)-c1cccc2ccccc12
C(=Cc1nccc2ccccc12)c1c[nH]c2ccccc12
Cc1cc(ccc1N)-c1nc2ccccc2s1
Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
C1C2COc3ccccc3C2=NN1c1ccccc1 |c:12|
Clc1ccccc1N=NCc1ccccn1 |w:7.7|
Nc1ccccc1-n1nc2ccc3ccccc3c2n1
COc1cccc(c1)-c1nc2-c3ccccc3CCn2n1
C1Oc2cc3nn-4c(OCc5ccccc-45)c3cc2O1
CCCc1nc2c(C)cc(Br)cn2c1Cc1ccc(C)cc1
C1Oc2ccc(Nc3nc(cs3)-c3ccccc3)cc2O1
NC(=NC(=S)Nc1ccc2OCOc2c1)c1ccccc1 |w:2.2|
CC(C)(C)c1ccc(Nc2n[nH]c3ccccc23)cc1
COc1ccc(cc1)-c1cc2ccccc2c(=O)o1
CCOC(=O)c1cc(oc1C)-c1cccc(O)c1
CC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(nc2ccccc12)-c1ccc(cc1)-c1ccccc1
N#Cc1cc2ccccc2nc1SCc1ccccn1
COc1ccc(cc1OC)-c1cn2ccccc2n1
O=C(Nc1ccccn1)c1ccc2ccccc2n1
CCOc1ccccc1-n1nnnc1SCc1nc2ccccc2s1
CCOC(=O)N1CCC(CC1)Nc1c(-c2ccc(C)cc2)c(=O)c1=O
CCOc1ccc(cc1OC)-c1noc(COC)n1
Cc1c(oc2ccccc12)C(=O)Nc1ccccn1
Oc1ccccc1-c1cc([nH]n1)-c1ccccc1Cl
CC(C)NC(=O)c1nc2ccccc2s1
Cc1ccc(NCc2nc3ccccc3n2C)cc1
Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1
Oc1cccc(c1)-c1nc2ccccc2s1
CC1CCCCN1CCNC(=O)CC1Oc2ccccc2NC1=O
CCC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1C
CC(=O)Nc1nc(nc(C)c1C(C)=O)-c1ccc(Cl)cc1
O=c1oc(nc2sc3CCCCc3c12)-c1cc2ccccc2o1
CCc1ccc2oc(nc2c1)-c1cccc(N)c1
OC(CN1C(=O)c2ccccc2C1=O)CN1CCOCC1
Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
Cc1ccc(CN=Nc2nnc(Cl)c3ccccc23)cc1 |w:7.7|
Cc1nn(-c2ccc(C)cc2)c2[nH]c(=O)cc(C)c12
COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCc2ccccc2C1
CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
COc1ccc2c(C)cc(SCC(=O)c3ccc4OCOc4c3)nc2c1
Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1
OC(=O)C(=O)C(=C/c1ccccc1)\c1ccc2ccccc2n1
Clc1ccc2sc(SCC(=O)c3cc4ccccc4o3)nc2c1
Cc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
COc1cccc(c1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1
Cc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1
C(N=Nc1nc2ccccc2s1)c1cccs1 |w:2.2|
C(N=Nc1nc2ccccc2s1)c1ccc2OCOc2c1 |w:2.2|
Cc1cccc(OCCNC(=O)c2cncc(Br)c2)c1
c1ccc(cc1)-c1ncc2c(ccc3ccccc23)n1
[O-][N+](=O)c1cc(Cl)ccc1-c1nc(no1)-c1ccccc1
Cc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
Fc1ccccc1N=CCC(=O)c1cccs1 |w:7.7|
N#C\C(=C\c1ccco1)c1nc2ccccc2s1
Cc1ccc2nsnc2c1NC(=O)c1cccnc1Cl
Cc1c(oc2ccccc12)C(=O)N1CCc2ccccc12
O=C1\C(Sc2ccc3ccccc3c12)=C/c1cccs1
C\C(\C=N\NC(=O)Cn1cnc2ccccc12)=C/c1ccccc1
COc1cc(cc(OC)c1OC)-c1nc2ccccc2c(=O)n1N
CCC(C)n1c(=S)[nH]c2c3cc(ccc3sc2c1=O)[N+]([O-])=O
CN(\N=N\c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Cc1ccsc1CN=Nc1nc2ccccc2s1 |w:8.9|
CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c(c1)[N+]([O-])=O
CCOC(=O)C(=C\c1cn(CCOc2ccccc2)c2ccccc12)\C#N
Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
Oc1cc2ccccc2c2C(C(C#N)C(=N)Oc12)c1ccsc1
Fc1ccccc1-c1ccc(CN=Nc2nc3ccccc3[nH]2)o1 |w:13.14|
Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
CC1CCC(CC1)NC(=O)c1ccc(cc1)S(C)(=O)=O |(4.41,-7.32,;4.41,-5.78,;5.75,-5.01,;5.75,-3.47,;4.41,-2.7,;3.08,-3.47,;3.08,-5.01,;4.41,-1.16,;5.75,-.39,;7.08,-1.16,;5.75,1.16,;7.08,1.93,;7.08,3.47,;5.75,4.24,;4.41,3.47,;4.41,1.93,;5.75,5.78,;5.75,7.32,;7.29,5.78,;4.21,5.78,)|
NC1=NC(=NNc2nc(cs2)-c2ccc(F)cc2)c2ccccc12 |w:4.4,t:1|
CC(OC(=O)Cn1nc(C)c(c1C)[N+]([O-])=O)C(=O)Nc1ccccc1[N+]([O-])=O
Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
CCOc1ccccc1C(=O)N[C@@H](C(C)C)C(=O)Nc1nc2CCCCc2s1
FC(F)(F)c1cc(NC(=O)CCNC(=O)c2ccccc2Cl)ccc1Br
CCCCN(C(=O)CSc1cc(C)c2ccc(OC)cc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
FC(F)(F)c1ccc2nnn(OCC(=O)Nc3c(Cl)cccc3Cl)c2c1
Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Cc1nn(Cc2ccccc2)c(Cl)c1\C=N\NC(=O)c1cccnc1
CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O
COc1ccc(OCc2nnc(SCn3nnc4ccccc4c3=O)n2CC=C)cc1
CC1CCc2sc(cc2C1)C(=O)NNC(=S)Nc1cccc(C)c1C
Cc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)s1 |w:7.7|
Cc1ccc2N=C(CC(C)=Nc2c1)c1ccccc1 |c:5,9|
CC(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1
O=C(Nc1ccccc1)c1nc2ccccc2s1
O=C(CSc1nc2n[nH]cc2c(=O)[nH]1)Nc1nccs1
CCN(CC)CCn1nc2-c3ccccc3-c3cccc(c23)c1=O
CC1=NN(C(=O)CCc2ccc3OCOc3c2)C(O)(C1)C(F)(F)F |t:1|
Nc1cc2nn(nc2cc1Cl)-c1ccccc1
Nc1nonc1OCCCCOc1nonc1N
FC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1
CCNC1=NN=C(CS1)c1c[nH]c2ccccc12 |c:5,t:3|
Cc1cc(NC(=S)NC(=O)C=Cc2ccc(cc2)S(=O)(=O)N2CCOCC2)ccc1Br |w:11.11|
COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCN(C)CC3)n2)cc1
CC(=O)Nc1ccc(cc1)-n1c(O)cc(Sc2nc3ccccc3s2)c1O
[H]C12CCC([H])(C1)C1C2C(=O)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1=O |TLB:9:8:6:3.2,THB:27:7:6:3.2|
O=C(Nc1ccc2OCOc2c1)Nc1ccc2OCCOc2c1
[O-][N+](=O)c1ccc(cc1)C(=O)CCNc1ccc(Cc2ccncc2)cc1
NC(=NOC(=O)c1cc(Br)ccc1Cl)c1ccccn1 |w:2.2|
COc1ccc(cc1)C1CC(=NN1C(=O)CN1CCCCC1)c1cccs1 |c:11|
COC(=O)c1ccccc1NC(=O)c1ccnn1C
[#6]-[#6]-n1c(-[#6])cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]
COC(=O)c1ccccc1NC(=O)NCc1ccncc1
[H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Nc1ccc(OC)cc1 |TLB:9:7:6:3.2|
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)nc1
CC(N(C)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1nccs1
COc1cccc(-c2nc3ccccc3s2)c1O
Clc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
CC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c3cccc1c23
Cc1cc(C)n2nc(cc2n1)-c1ccccc1
COc1cc(CC=C)ccc1OCCCCOc1ccc(cc1)C(O)=O
CCc1ccc(cc1)-c1csc2ncn(CC)c(=O)c12
Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O
Cc1ccc(cc1)-c1cn2cccc(C)c2n1
CC(=O)NC1(CCN(CC1)c1cc(C)nc(n1)-c1ccccc1)c1ccccc1
O=C(NCC1CCCO1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
CNCC(O)Cn1c2CCCCc2c2ccccc12
Cc1ccccc1C(=O)N\N=C1\SCC(=O)N1Cc1ccccc1
Clc1ccccc1Cn1nnc(n1)-c1ccccc1
CCCCCCC1(C)NN(C(=S)N1)c1ccccc1
CN(\N=C\c1cccnc1)c1cnc2ccccc2n1
COc1ccc(cc1)C(=O)c1ccccc1
COc1ccc(CN=Nc2nc3ccccc3s2)cc1O |w:8.8|
Cn1c2ccccc2s\c1=N/C(=O)c1ccco1
COc1ccc(CSc2nnc3[nH]c(=O)cc(N)n23)cc1
O=C(CCn1c2ccccc2oc1=S)NC1CCCCC1
Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccs1
CC(N=Nc1cccc2cccnc12)c1ccccc1O |w:3.3|
Fc1ccccc1CN=Nc1ncnc2ccccc12 |w:9.10|
O=c1[nH][nH]cc1C=Nc1ccc(Oc2ccccc2)cc1 |w:7.8|
CC1CN(CC(C)O1)C1c2c(OC1(C)C)c(ccc2C)[N+]([O-])=O
OC(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)c1cccc(c1)[N+]([O-])=O
O=C(CCNC(=O)c1ccccc1)NNC1=c2ccccc2=NC1=O |c:16,23|
NC(=NN=Cc1cccc(O)c1)c1nonc1N |w:2.2,4.4|
Cc1ccc(NC(=O)C2CC(=O)Nc3nncn23)cc1
CN1c2ccsc2C(NNc2ccc(F)cc2)=CS1(=O)=O |c:18|
FC(F)(F)c1cccc(c1)-n1nc2c(cc1=O)[nH][nH]c2=O
O=C(NCCc1c[nH]c2ccccc12)c1cnccn1
COc1ccc(cc1)C(=O)\C=C1/Sc2ccccc2N1C
Cn1ccnc1SCC(=O)c1c[nH]c2ccccc12
CCc1sc(cc1C)C(=O)N1CCc2ccccc12
Cc1ccc(NC(=O)c2ccccn2)c(Br)c1
OC(=O)c1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1 |w:9.9|
[#6]C([#6])([#6])[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-[#6](=S)-[#7]-c1cccnc1
OC(=O)c1ccc(cc1)\[NH+]=N\C=C\[CH-]c1ccccc1[N+]([O-])=O
OC(=O)c1ccccc1SCC(=O)N1CCc2ccccc12
Cc1c(cccc1[N+]([O-])=O)C(=O)O[N-]C(=[NH2+])c1ccccn1
Cn1cnc(NCc2ccccc2)c1[N+]([O-])=O
COc1ccc(cc1)C(N)=NOC(=O)c1cccs1 |w:10.11|
CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
O=C(\C=C\c1ccccc1)c1c[nH]c2ccccc12
COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
[O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
Clc1ccc(cc1)C(=O)CC=Nc1ccccc1C#N |w:11.12|
Cc1ccc(cc1NC(=O)C1CCCC1)[N+]([O-])=O
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl
COc1ccc(C(=O)Nc2ccc3ccccc3c2)c(OC)c1
COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
NC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
Cc1ccc(cc1Br)N=CCC(=O)c1ccccc1 |w:8.8|
[O-][N+](=O)c1ccccc1CC(=O)NCCc1ccc(F)cc1
Cc1ccc(CNc2nc3ccccc3n2C)cc1
COc1ccc(Cl)cc1C(=O)Nc1ccc2OCCOc2c1
Cn1c(CNc2ccc(F)cc2)nc2ccccc12
Fc1ccc(cc1)-c1csc(Nc2ccccn2)n1
O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12
Fc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
Oc1cccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1
COCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
COCCCNc1nc2c(nnn2c2ccccc12)-c1ccc(C)cc1
Oc1ccc(N=Nc2ccccc2)o1 |w:6.6|
COc1ccc(cc1)-c1nc2ccccn2c1Cl
Clc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
Oc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1
Oc1ccccc1-c1cc([nH]n1)-c1ccc(Cl)cc1
OC(=O)C(=O)C(=C/c1ccsc1)\c1ccc2ccccc2n1
C(Sc1ccccn1)c1nc2ccccc2s1
COc1cc(SC)ccc1C(=O)Nc1ccc2CCCc2c1
Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2OCOc2c1
Cc1c(oc2ccccc12)C(=O)Nc1ccc(C)cn1
Fc1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N
Cc1ccnc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
COC(=O)[C@]1(C)N[C@H](CN(C)C(C)=O)[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)C2=O
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2)n1
COc1cccc(c1)C(=O)Cn1c2ccccc2n(C)c1=N
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCOCC1
Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1
Nc1ccccc1C=C1Cc2ccccc2C1=O
CC1(C)NC(=S)C(C)(C)N1N=O
ClCCN(CCCl)c1ccc(CNNC(=O)Cc2c[nH]c3ccccc23)cc1
Cc1ccc(C(=O)C2CC2)c(C)c1
C(=Cc1ccc2ccccc2n1)c1c[nH]c2ccccc12
Cc1cc(ccc1N)-c1nc2cc(F)ccc2s1
CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12
CNc1c2cccc(C)c2nc2c(cccc12)C(=O)NCCN(C)C
Cc1cc2ccccn2c1C(=S)NC(=O)c1ccc(C)cc1
COc1cccc(CC(=O)Nc2ccc3n(-c4ccc(cc4)C(C)(C)C)n(C)c(=O)c3c2)c1
Cc1c(oc2cc(C)c(C)cc12)C(=O)NCC(N1CCCC1)c1ccco1
Cc1onc(c1C(=O)OCC(=O)c1ccc(F)cc1)-c1ccccc1
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@@H]1C[C@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CNc1cncc(n1)-c1ccc(OC)c(OC)c1
Fc1ccc(cc1F)-c1coc2c(cccc12)C(=O)NCc1cccs1
CC(C)N(C)c1ncnc2n(cnc12)[C@H]1CN(Cc2cccnc2)C[C@@H](CO)O1
Cc1c(oc2ccccc12)C(=O)Nc1nccs1
C(c1c(nc2c3ccccc3ccn12)-c1ccco1)c1ccccc1
Fc1cccc(Cc2c(nc3c4ccccc4ccn23)-c2ccco2)c1
Clc1cccc(c1)-c1nc2c3ccccc3ccn2c1Cc1ccsc1
CCc1ccc2cc3-c4ccccc4C(=O)c3cc2n1
Nc1nc(=O)n(cc1Cl)C1CC(O)C(CO)O1
C[C@H](N1C[C@@H](COCc2ccccc2)Oc2cc(ccc2S1(=O)=O)N1CCC[C@H]1C(N)=O)c1ccccc1
CC(C)N1CCCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
COC(=O)[C@@]12Cc3c([C@H](N1CC=C2)c1ccc(OC)c(OC)c1)n(c1ccccc31)S(=O)(=O)c1ccc(C)cc1 |c:12|