1016 SMILES Strings for Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1

Compound Name
SMILES String
O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1
N=C1C(C#N)C(c2ccco2)C(C#N)=c2sc(=Cc3ccco3)c(=O)n12 |w:17.18,t:14|
OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
O=C(CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)NCc1ccco1
CCOc1ccccc1NC(=O)N1CCC(CC1)NC(=O)c1cccc(C)c1
CCOc1ccccc1\N=C1/SCCCN1C
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCc1ccco1
CCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2F)cc1
CCN(CC)C(=O)CSc1ncnc2c(nsc12)-c1cccs1
CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N
CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
CC(O)\C=C\c1cccc[n+]1C
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2Br)o1
CC(=O)C(C[N+]1(C)CCCCC1)N=O
COc1ccccc1-c1nn2c(nnc2s1)-c1ccco1
Cc1nc2n(N=Cc3ccco3)c3nc4ccccc4nc3c2c(=O)n1CCC1=CCCCC1 |t:33|
CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1cccnc1
COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
COc1ccc(Cn2c(nc3oc4cc(OC)ccc4c(=O)c3c2=O)-c2ccco2)cc1
Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
Cn1c(=O)c(NC(=O)c2ccccc2)c2CCCCCn2c1=S
Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
Fc1ccccc1S(=O)(=O)N1Cc2ccccc2CC1C(=O)NCc1ccco1
COCCn1c(C)cc(C(=O)COC(=O)c2cc3CCCc3s2)c1C
Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
COc1ccc(cc1OC)C(=O)OCC(=O)NCc1ccco1
Fc1ccc(cc1)-c1csc(SCC(=O)NC(=O)NCc2ccco2)n1
Fc1ccc(cc1)-n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccncc1
Fc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1CC=C
CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
Fc1ccc(OCc2nnc(SCC(=O)NC(=O)NCc3ccco3)n2CC=C)cc1
CN(C)c1cccc(c1)N=C1CC(C)(C)CC(=C1)N1CCOCC1 |w:9.9,c:17|
Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
COCC(C)n1c(C)cc(C(=O)COC(=O)c2c(C)c(C)sc2NC(C)=O)c1C
Brc1ccc(o1)C(=O)OCC(=O)NCc1ccco1
O=C(COC(=O)c1cc(nc2ccccc12)-c1cccs1)NCc1ccco1
Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1
O=C(COC(=O)c1ccccc1)NCc1ccco1
O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
COc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
OC(=O)c1cccc(c1)-n1cccc1CN=O
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cc(ccc1OCC)C(C)=O |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
COc1ccccc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(C)c1C
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1cccs1
OC1C(Sc2ccccc2NC1=O)c1ccccc1
O=C(CCCCCn1c(SCc2ccncc2)nc2ccccc2c1=O)NCc1ccco1
O=C(CSc1nc2cc(ccc2c(=O)n1Cc1ccco1)C(=O)NCc1ccco1)N1CCCC1
[H]C12CC([H])(C=C1)C(C)(C2C(=O)NCc1ccccc1)C(O)=O |c:5,TLB:10:9:2:5.6,THB:8:7:2:5.6,20:7:2:5.6|
Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)NC(C(O)=O)c1ccccc1
c1coc(c1)-c1nnc2sc(nn12)-c1cc(nc2ccccc12)-c1ccccc1
CC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)c2nnc[nH]2)cc1
O=C(COc1ccc2oc(cc(=O)c2c1)-c1ccccc1)NCc1ccco1
Clc1cc(Br)ccc1NC(=O)c1cnccn1
Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
CCCCCc1nnc(NC(=O)Cc2cccs2)s1
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCc1ccccn1
OC(=O)c1ccc(CNc2ccccc2C(O)=O)cc1
O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
COc1ccccc1-c1nnc2sc(nn12)-c1cnccn1
CCOC(=O)C1CCCN(C1)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1
OC(=O)c1cccc(c1)-n1c(O)c2CC=C(Cl)Cc2c1O |t:15|
COCCN1C(c2c(oc3ccccc3c2=O)C1=O)c1ccc(OC)c(OC)c1
CCOc1ccccc1NC(=O)Cn1cnc2n(nnc2c1=O)-c1cccc(OC)c1
CC1C=CC(C)C(C1C(O)=O)C(O)=O |c:2|
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
OC(=O)COc1ccc(Br)cc1CN=O
CCc1c(C)[nH]n(-c2ccc(Oc3ccccc3)c(c2)S(O)(=O)=O)c1=O
Cc1nn(-c2cc(Cl)ccc2N)c(=O)c2ccccc12
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
Cc1ccc(o1)-c1cc(C(=O)Nc2cccnc2)c2ccccc2n1
CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O)c1ccco1 |w:2.1,c:16|
[#6]-[#7](-[#6])-[#6]=[#6]\[#6]=[#6]-1/[#6](=O)-[#6]-[#6]-[#6]-[#6]-1=O |w:4.4|
OC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
COCCN(C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC)C(=O)Cn1nnc2ccccc12
CCOc1ccc(cc1)\N=C1\SCCCN1C
CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
CCOC(=O)Cn1c2SCC(O)C[n+]2c2ccccc12
CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)[nH]c1=C
CC(C)CCOc1ccc(cc1)C(=O)C[N+]1(C)CCOCC1
CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
CCc1c(O)cc(-c2cccs2)n(-c2ccc(Cl)cc2)c1=O
Clc1cccc(c1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:8.9|
CCCCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
NC(=O)C(CC(O)=O)NC(=O)[C@@H]1CCCNc2c(I)cc(cc2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)[N+]([O-])=O
COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3oc(=O)c2c1
CSc1nc2nccc(-c3ccc(Cl)cc3)n2n1
O=c1oc(nc2sc3CCCc3c12)-c1ccccc1
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N |w:11.13|
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
CCn1c(C)c2c(CC(C)(C)CC2=O)[n+]1CC
Cc1cc(OCC[N+]2(C)CCCCC2)nc2ccccc12
COc1ccc(c(Cl)c1Cl)S(=O)(=O)NCCSC(C)(C)C
Cc1nnc(SCC(=O)Nc2nsc(n2)-c2ccc(Cl)cc2)s1
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NC1CCCC1
C\C(C=NNC(=O)c1ccc(Br)cc1)=C/c1ccccc1
CC(C=Cc1ccco1)=NNC(=O)c1cccnc1 |w:9.10,3.3|
CN(N=Cc1cccnc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl |w:2.1|
C=CCNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4OCOc4cc3c2=O)cc1
C[N+]1(CC(=O)OCCCc2ccccc2)CCOCC1
Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccco1
Cc1c(OC(=O)c2ccc(cc2)[N+]([O-])=O)c2COC(C)(C)OCc2c[n+]1C
Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1
O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccccc1
Cc1ccc(cc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1
Clc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1 |(3.12,-.79,;4.46,-1.56,;4.46,-3.1,;5.79,-3.87,;7.12,-3.1,;7.12,-1.56,;5.79,-.79,;5.79,.75,;7.04,1.66,;6.56,3.12,;5.02,3.12,;4.54,1.66,;3.08,1.18,;8.5,1.18,;8.98,-.28,;10.52,-.28,;10.99,1.18,;9.75,2.09,;11.42,-1.53,;12.96,-1.53,;13.44,-2.99,;12.19,-3.9,;10.95,-2.99,)|
CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
COc1ccc2c(c1)oc1nc(-c3ccco3)n(Cc3ccco3)c(=O)c1c2=O
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1 |w:6.5|
c1ccc2[nH]c(nc2c1)-c1cc[nH+]c2ccccc12
CCCCCn1cc(O)c(c1N)-c1nc(cs1)-c1ccc(Cl)cc1
O=C(N1CCN(CC1)c1ccccc1)c1cc2CCCc2s1
CCCn1c2nc(-c3ccccc3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O
FC(F)(F)c1cccc(Nc2ccccc2C(=O)OCC(=O)NCc2ccco2)c1
Cc1c(C)c2ccccc2n1C(=O)CSc1nc2ccccc2[nH]1
Brc1ccc(o1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
Cc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1Cc1ccccc1
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1
OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1
OC(=O)CCC(N=Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCC1)c1cccs1 |w:7.7|
CCn1c(=O)c(NC(=O)c2ccccc2)c2CCCCCn2c1=S
CCCCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OCC(C)C)cc2)cc1
COc1cccc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccco2)c1
OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1
Cc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1
CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)C1=O |(16.93,15.12,;15.52,15.74,;15.36,17.28,;14.28,14.84,;14.28,13.3,;15.52,12.39,;12.81,12.82,;11.91,14.07,;11.14,12.73,;9.6,12.73,;8.83,14.07,;7.5,14.84,;7.5,13.3,;7.5,11.76,;6.16,10.99,;6.16,9.45,;7.5,8.68,;4.83,8.68,;4.06,10.01,;3.49,7.91,;2.16,8.68,;.83,7.91,;.83,6.37,;2.16,5.6,;3.49,6.37,;5.6,7.34,;4.83,6.01,;5.6,4.68,;7.14,4.68,;7.91,6.01,;7.14,7.34,;9.6,15.4,;11.14,15.4,;12.81,15.31,;12.34,16.78,)|
Oc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
Clc1c(cnn(-c2ccccc2)c1=O)N=NCc1ccc(Br)cc1 |w:14.15|
O=C(CC#N)NN=Cc1ccc(Sc2nc3ccccc3s2)o1
O=C(NN=C\C=C\c1ccccc1)c1cc2c(ccc3ccccc23)o1
Cc1cc(C(=O)NCc2ccc(o2)C(O)=O)c(C)o1
COc1ccc(\C=C\C(=O)Oc2cccc(C=NNC(=O)c3cccc(F)c3)c2)cc1
Fc1ccc(cc1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1
O=[#6](\[#6]=[#6]\c1ccco1)/[#6]=[#6]-1\[#16]-[#6]-[#6]-[#16]-1
O=C(NN=Cc1ccc2ccccc2c1)c1ccc(COc2ccc3CCCc3c2)o1 |w:3.2|
COc1ccc(OCC(=O)NNC(=O)c2ccc(cc2)-c2ccccc2)cc1
COc1cccc(c1)C1N(C(=O)c2[nH]nc(c12)-c1ccccc1)c1ccc(cc1)C(O)=O
CSc1ccc(CCNC(=O)CSc2ccsc2[N+]([O-])=O)cc1
OCCn1c(SCC(=O)NCc2ccco2)nc2c3ccccc3sc2c1=O
COc1cc2c(cc1NC(=O)CSc1nc3ccccc3[nH]1)oc1ccccc21
Cc1cccc(c1)C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1
CCc1ccc(cc1)C(C)=NNC(=O)CNC(=O)C=Cc1ccco1 |w:10.11,18.18|
C[N+]1(CCOc2ccc(cc2)[N+]([O-])=O)CCOCC1
CCn1c(CNC(=O)COc2ccc(cc2)C(C)C)nnc1SCC(=O)Nc1cc(F)ccc1C
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)c1
C[n+]1cn(CC(O)COCc2ccccc2)c2ccccc12
Cc1ccc(OCC(=O)NN=C\C=C\c2ccco2)cc1
CCC1CC[N+]2(C)CCC3=C(CCC3)C2(C)C1 |t:9|
O=C(Cc1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1
Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
CCCC1CCC2(C)C3=C(CCC3)CC[N+]2(C)C1 |t:8|
Cc1cccc(C)c1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
Cc1ccc(NC(=O)COc2ccc(\C=N\NC(=O)CSCc3ccccc3)cc2)cc1
Fc1ccc(NC(=O)Cn2cc(C=NNC(=O)c3cccc(c3)C(F)(F)F)c3ccccc23)cc1
Oc1ccccc1C(=O)NN=Cc1cccc(OC2CSC2)c1
COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc1ccc(F)cc1
CC(C)(C)C(=O)ON=C1C(=O)N(c2ccccc12)c1ccccc1
Fc1ccc(cc1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
[O-][N+](=O)c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3)c2c1
COc1ccccc1NC(=O)c1nn(ccc1=O)-c1ccc(Cl)cc1
Clc1cccc(c1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
FC(F)(F)c1cccc(c1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21
Clc1cc(CSc2ccccc2)nc(n1)-c1ccccc1
Clc1ccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)cc1
Cc1ccc(cc1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
COc1ccc(NC(=O)C(=C\c2ccc(Br)o2)\C#N)cc1
CCc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1
[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)cc1
Cc1ccc(SCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
Fc1cccc(c1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1
COC(=O)c1ccc(C=NNC(=O)c2cccc(F)c2)cc1
Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
CCCc1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
CC(=[NH+]NC(=O)c1cc(n[nH]1)-c1cccc(c1)[N+]([O-])=O)[c-]1ccccc1=O |w:2.2|
Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccccc1Cl |w:9.9|
O=C(NNC(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1)C#N |w:11.13|
[#6]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1Cl |w:8.8|
CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1
Brc1cncc(c1)C(=O)NN=Cc1ccc(OC(=O)c2ccc3OCOc3c2)cc1
O=C(CSc1ccccn1)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
Clc1ccc(\C=C\C(=O)Nc2ncccn2)c(Cl)c1
NC(=NOC(=O)N1c2ccccc2Sc2ccccc12)c1ccc(Br)cc1 |w:2.2|
[O-][N+](=O)c1cccc(\C=C\C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C[NH+]=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:15.16|
OC(=O)c1ccc2C(=O)\C(=C/c3ccccc3)C(=O)c2c1
O=C(CCCCCCCCC(=O)NN=Cc1ccco1)NN=Cc1ccco1
OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccco1
[O-][N+](=O)c1cccc(NC(=O)c2cnccn2)c1
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C[NH+]=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:16.17|
C[N+]12CCC(CC1)C(C2)=C(c1ccccc1)c1ccccc1 |TLB:9:7:2.3:6.5|
COc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1 |w:7.7|
COCCCNC(=O)C(=C\c1ccc(OCC(O)=O)c(OC)c1)\C#N
Cc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12
COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
C[N+]1(CCCCSc2ccc(O)cc2)CCCCC1
COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1
COc1ccc2cc3c(N)nn(C(=O)c4cccc(c4)[N+]([O-])=O)c3nc2c1
OC(=O)c1ccc(COc2ccccc2C=C2NC(=O)N(C2=O)c2cccc(Cl)c2)cc1 |w:15.15|
COc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1CSc1ccccn1 |w:7.7|
Oc1ccccc1C(=O)N\N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccccc12
Cc1cccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3ccccc3O)c3ccccc23)c1
O=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1
CC[C@H](C)NC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
C[N+]1(CC(=O)OCCCc2ccccc2)CCCC1
OC(=O)CCCCCN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
O=C(CCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
CC(O)Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc(c3)C(C)=O)cc2oc1=O
CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1Cl
Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
Cc1ccc(NC(=O)\C=C\c2ccco2)nc1
[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
[O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
CCCc1ccc(cc1)C(=O)NNC(=O)c1ccc(Br)cc1
Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2Cl)cc1Cl
Clc1ccc(cc1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1
C[N+]1=C(CC=Nc2ccccc2Cl)C(C)(C)c2ccccc12 |w:5.5,c:1|
Cc1cc(=O)n([nH]1)-c1ccc(Cl)c(c1)C(O)=O
CCOC(=O)c1ccc2[n+](CC)c(\C=C\N(C)c3ccccc3)n(CC)c2c1
Oc1cc(=O)[n-]c2sc(n[n+]12)-c1ccc(cc1)[N+]([O-])=O
[H]C12CCCC([H])(C1O)C(CC2)[N+]1(C)CCCC1 |TLB:12:9:7:4.2.3|
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C#N |w:11.13|
Cc1ccc(CCCOC(=O)C[N+]2(C)CCCC2)cc1
O=C(NN=Cc1ccco1)C1CC1c1ccccc1
Cc1ccccc1NC(=O)CSc1ccsc1[N+]([O-])=O
COc1cccc(c1)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
COc1ccc(cc1)C(=O)N\N=C\c1ccc(OC(=O)c2cccc3ccccc23)c(c1)[N+]([O-])=O
COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc1ccc(Cl)cc1
CCc1ccccc1NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12 |t:4,7|
Fc1ccc(F)c(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
C[N+]1(C)CC2(CC=C(Oc3ccccc3)C(C2)(C1)[N+]([O-])=O)[N+]([O-])=O |t:6,THB:8:7:16:1.3.17|
Fc1cc(Br)ccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
OC(=O)c1cccc(c1)-n1cccc1C=NNC(=O)Nc1ccccc1 |w:15.17|
OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C(\C#N)C(=O)NCC2CCCO2)o1
COc1ccccc1-n1cnc2n(-c3ccc(C)cc3)c3nc4ccccc4nc3c2c1=O
COc1ccccc1-n1cnc2n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc3c2c1=O
O=C(Nc1cccc(c1)-c1nc2ccccc2s1)c1cc(=O)c2ccccc2o1
Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)\C=C\c2ccco2)c1
CCN(CC)CCNC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1
Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
Cc1ccccc1NC(=O)Cn1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C
CSc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1
CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Oc1cc(NC(=O)C2=COCCO2)ccc1-c1nc2ccccc2s1 |t:7|
COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
OC(=O)Cc1sc(N=NCc2ccccc2)nc1-c1ccccc1 |w:7.6|
O=C(NN=CC=Cc1ccco1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2,6.6|
Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CSc1ccsc1[N+]([O-])=O
[O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3sc4ccccc4c3Cl)sc2c1
C[n+]1cnc(cc1-c1ccccc1)-c1ccccc1
Clc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
CCOC(=O)c1ccc(\C=C2\C=C(N(C2=O)c2ccc(Cl)c(c2)C(O)=O)c2ccccc2)cc1 |c:11|
Cc1ccc2nc(Cl)c(cc2c1)C1CC(=NN1C(=O)CCCC(O)=O)c1cccs1 |c:16|
OC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2cccs2)o1 |w:14.15|
Clc1cnc(NC(=O)COC(=O)\C=C\c2ccco2)c(Cl)c1
COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
Brc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
Fc1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1
Clc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccco2)c1Cl
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
FC(F)(F)c1cnc(NC(=O)COC(=O)\C=C\c2ccco2)c(Cl)c1
Cc1cccc2sc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cc(ccc3Cl)[N+]([O-])=O)nc12
Cc1ncc(n1CCOC(=O)c1cc(Cl)cc(Cl)c1N)[N+]([O-])=O
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
FC(F)(F)c1cnc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccccc2Cl)c(Cl)c1
Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1
Cc1nn(c(Cl)c1C=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
Oc1cccc(c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
FC(F)Oc1cccc(c1)C(=O)NCC(=O)OCc1cc(=O)n2cc(Br)ccc2n1
Oc1ccc(cc1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
O=C(Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1)c1cccs1
CCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
COc1ccc(\C=C\C(=O)OCC(=O)NCc2ccco2)cc1OC
Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)\C=C\c1ccco1
Brc1ccc(o1)C(=O)NN=Cc1ccc(Br)cc1
COc1ccccc1N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Clc1cccc(NN=C2C(=O)Nn3c2nc2CCCc2c3=O)c1
OC(=O)c1cccc(c1)-n1cccc1\C=C1/SC(=O)N(Cc2ccccc2F)C1=O
OC(=O)COc1ccccc1C=C1SC(=S)N(N=Cc2ccccc2O)C1=O |w:17.17,11.11|
CSc1ccc(C=NNC(=O)c2ccc(C)c(C)c2)cc1
Fc1ccccc1-[#16]-c1ccccc1-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
CC[N+]1=CN(C(C)=CC1(C)C)c1ccccc1 |c:6,t:2|
Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccc(Br)o1 |t:12|
[H]C12CC([H])(C=C1)C(C)(C2C(=O)Nc1sc2CCCCc2c1C(=O)OCC)C(O)=O |c:5,TLB:10:9:2:5.6,THB:27:7:2:5.6,8:7:2:5.6|
Fc1ccc(CNC(=O)Cn2cnc3n(nnc3c2=O)-c2ccccc2)cc1
Clc1cccc(c1)-n1nnc2c1ncn(CC(=O)NCc1ccccc1)c2=O
OC(=O)CNC(=O)Cc1sc(NNc2nc(O)cs2)nc1O
CC(C=Cc1ccco1)=NNC(=O)c1cc(Cl)ccc1O |w:9.10,2.1|
CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccccc1Cl |w:8.8|
[O-][N+](=O)c1cc(\C=N\NC(=O)c2ccc3OCCOc3c2)ccc1Cl
O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O |c:26|
NC(=S)n1[n-]c(c(N=[NH+]c2ccccc2[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
Oc1ccccc1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1
CC1(CCCC1)C(O)(C#CC[N+]1(C)CCCCC1)c1ccccc1
COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CCCC(O)=O |t:9|
NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5|
COc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12
Oc1ccccc1C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
CCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1
[H]C12CCC(C)(C[N+](C)(C)C1)C2(C)C
[H]C12CCC(C)(C[N+](C)(CC)C1)C2(C)C |TLB:8:7:12:3.2,THB:9:7:12:3.2|
[H]C12CCC(C)(C[N+](CC)(CC)C1)C2(C)C
Cc1ccc(cc1)C(=O)N[n+]1cc(O)[c-](c1N)-c1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccncc1
Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1)C(O)=O
Oc1ccc(cc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)S(=O)(=O)Nc1ccc(Cl)cc1
Cc1ccc(cn1)C(=O)NN=C\C=C\c1ccc(Br)cc1
CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
COc1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCCC23)cc1OC
Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O
OC(=O)c1ccc(cc1)N1C(=O)c2cccc3c(ccc(C1=O)c23)C(O)=O
OC(=O)c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(O)=O)cc3s2)cc1
CCOC(=O)CC1(C)OCC(C[N+]2(C)CCCCC2)O1
O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1
COc1ccc(\C=C2/C(=O)NC(=S)N(C)C2=O)cc1C
COc1ccc(OC)c(c1C(N)=O)[N+]([O-])=O
Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
CC[n+]1c(C)cc(C)n1-c1ccccc1
CC(C1OCC(C[N+]2(C)CCCCC2)O1)c1ccccc1
CC1=CC(=NNC(=O)c2ccccc2O)c2ccccc2C1=O |w:4.4,t:1|
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2s1
O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
C[C@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1
Cc1cccc(c1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
COc1cc(\C=C\c2[nH]c(=O)c(c(O)[nH+]2)[N+]([O-])=O)c[c-](CC=C)c1=O
Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cccc(C(O)=O)c3C)C2=O)c1
Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(O)c(c3)[N+]([O-])=O)C2=O)c1
Cc1c(oc2cc(C)c(C)cc12)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
[H]C12C=CC([H])(C3C1C(=O)N(N\C=C1/C=C(C(=O)C=C1O)[N+]([O-])=O)C3=O)C21CC1 |c:2,15,19,TLB:8:7:26:2.3,THB:24:6:26:2.3|
O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1 |w:3.2,18.19|
Cn1nc(-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)c2ccccc2c1=O
Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1ccco1 |t:15|
O=C(CCC1N=C2N(C1=O)C(SCC(=O)NCc1ccco1)=Nc1ccccc21)NCc1ccco1 |c:5,23|
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1
CCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Cc1c(Cl)c(nn1CC(=O)NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O)C(F)F |c:25|
Clc1cccc(Cl)c1CSc1nnc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)s1
CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OC(C)C(=O)Nc1ccc2OCCOc2c1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(=O)[nH]c1
[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1
Clc1ccc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccco2)nc1
Cc1cc(C=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
Cc1cc(C=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
CCCSC1=N\C(=C/c2ccc(o2)[N+]([O-])=O)C(=O)S1 |t:4|
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=S)Nc2ccccc2)o1 |w:15.16|
NC(=NOC(=O)c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O |w:2.2|
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
COC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
[O-][N+](=O)c1cccc(OCC(=O)NN=Cc2ccco2)c1
Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c1
Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O
Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O |w:19.21|
Cc1cc(C=O)c(C)n1-c1cccc(c1)C(O)=O
[H]C12CCC([H])(C1OC(C)=O)C(CC2)[N+]1(C)CCCCC1 |TLB:14:11:6:3.2|
[H]C12C=CC([H])(C3C4C(C13)C(=O)N(CCOCC=C)C4=O)C1C2C(=O)N(CCOCC=C)C1=O |c:2,TLB:23:22:9.6:2.3,THB:32:21:9.6:2.3|
Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1 |w:16.16|
OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cc2ccccc2oc1=O
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Br)c1
CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(c1O)[N+]([O-])=O
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Cl)c1
CCOc1cccc(=O)c2c(C)n(c(C)c12)-c1ccc(cc1)C(O)=O
Cc1ccc(cc1NC(=O)Cc1cccs1)[N+]([O-])=O
CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1cccc(c1)C(O)=O |t:4|
COc1cc(\C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(cc1)C(O)=O
Oc1cccc(CN=Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1 |w:8.8|
Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C1=O |w:14.15|
COc1ccc(NC(=O)C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)c(OC)c2)\C#N)cc1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
CCCc1n(CC(O)COC2CCCCC2)c2ccccc2[n+]1C
Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
C[N+]1(CC2COC3(CCCCC3)O2)CCCCC1
COc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1OC
CN(C)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1cc(Cl)ccc1C)c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1csc2ncn(CC(=O)NCc3ccco3)c(=O)c12
Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
COc1ccc(CN=Nc2ncc(Br)cn2)c(OC)c1 |w:7.6|
CC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1
[H]C12CCCC([H])(C1O)C(CC2)[N+]1(C)CCCCC1 |TLB:12:9:7:4.2.3|
O=C(CSc1nc2ccccc2[nH]1)NC1CCCC1
COc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2c1 |c:7|
C[N+]1(CC2COC(O2)c2ccco2)CCCCC1
CC(CC(=O)NC1CCCCC1)=NNC(=O)Cc1ccc(cc1)-c1ccccc1 |w:12.13|
OC(=O)Cc1ccc(cc1)-n1cccc1
CC1C[N+](C)(C)C(C)CC1(O)C#CC=C
COc1ccc(cc1)C(C)=NNC(=O)CNC(=O)C=Cc1ccco1 |w:10.11,18.18|
Cc1ccc(OCC(=O)NNC(=O)Cn2nnc(n2)-c2ccccc2)cc1
Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
CN(C)c1cccc(c1)C(=O)NN=Cc1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O |w:12.12|
Cn1nnnc1SCC1=C(N2C(SC1)C(NC(=O)C1CC1c1ccccc1)C2=O)C(O)=O |t:9|
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(COc3cccc(Cl)c3Cl)o1)C2=O)C(O)=O |t:5|
Cc1ccc(OCC(=O)N\[NH+]=C\c2ccc([O-])c(c2)[N+]([O-])=O)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cccn2cc(nc12)-c1ccc(Br)cc1
CSc1nnc(C)c(CC=Nc2ccc(F)cc2F)n1 |w:10.10|
O=C(NCc1ccco1)C(=O)NCc1cccc(CNC(=O)C(=O)NCc2ccco2)c1
FCCCOc1ccc(C=NNC(=O)c2ccc(cc2)C(F)(F)F)cc1
NC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 |w:8.7|
Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
OC(=O)c1cccc(NC(=O)CSc2nc(nc3ccc(F)cc23)-c2ccccc2)c1
Fc1ccc(CNC(=O)Cn2nnc(n2)-c2ccc(NC(=O)c3ccccc3F)cc2)cc1
Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2nc(cc2C)C(F)F)C3=O)C(O)=O)s1 |t:7|
Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1ccco1 |w:12.12|
[O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)\C=C\c2ccco2)cc1
Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O
[#6]-c1ccc(cc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1)-[#6](-[#8])=O
COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1
Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccccc3Cl)C2=O)o1)C(O)=O
Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O
COc1ccc(CN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1 |w:8.8|
CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(OCc3cc(=O)n4nc(CC)sc4n3)c(OC)c1)C2=N |c:7,t:2|
OC(=O)c1ccc(COc2ccccc2\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
COc1ccc(O)c(C=NNC(=O)c2c(C)nnn2-c2nonc2N)c1 |w:9.9|
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
Cc1ccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
COc1ccc2c3ccc(OCc4cc(oc4C)C(O)=O)c(C)c3oc(=O)c2c1
OC(=O)c1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)cc1 |w:8.8|
[#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(Cl)c(c2)-[#6](-[#8])=O)-[#6](=O)-[#8]1
CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
[O-][N+](=O)c1sccc1SCC(=O)Nc1cc(F)ccc1F
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2ccc(-[#16]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)-[#6](=O)-[#7]-1
[O-][N+](=O)c1sccc1SCC(=O)Nc1cccc(F)c1
[O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Clc1ccccc1\C=C\C(=O)Nc1ccc2C(=O)NC(=O)c2c1
Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)NCc1ccccc1)c2=O
FC(F)(F)c1ccc(cc1)-n1nnc2ccccc2c1=N
FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
O=C(NN=Cc1ccco1)c1cccc(c1)N1Cc2ccccc2C1 |w:3.2|
O=C(CCCCCNC(=O)c1ccccc1)NN=Cc1ccco1
CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccco1)c1ccco1 |w:3.3,13.13|
Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccccc1
O=C(NN=Cc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1)c1ccncc1
OC1CCC(CC1)NC(=O)c1cc(nc2ccccc12)-c1ccco1 |(6.85,-6.46,;6.85,-4.92,;5.52,-4.15,;5.52,-2.61,;6.85,-1.84,;8.18,-2.61,;8.18,-4.15,;6.85,-.3,;8.18,.47,;9.52,-.3,;8.18,2.01,;6.85,2.78,;6.85,4.32,;8.18,5.09,;9.52,4.32,;10.9,5.14,;12.29,4.35,;12.29,2.75,;10.9,1.95,;9.52,2.78,;5.52,5.09,;5.36,6.62,;3.85,6.94,;3.08,5.61,;4.11,4.46,)|
Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
C[n+]1ccccc1C1CCCCC1=NNC(N)=S |w:13.15|
Fc1ccc(NC(=O)COC(=O)\C=C\c2ccco2)c(Cl)c1
CCN(CC)P(N(CC)CC)c1n(C)cc[n+]1C
O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
Fc1ccc(CNC(=O)c2c3CCCc3nc3ccccc23)cc1
CCN(CC)P(=O)(N(CC)CC)c1n(CC)cc[n+]1CC
CC[N+]1(CC(O)COC2CC(C)CC(C)(C)C2)CCOCC1
Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)OCC(=O)NCc1ccco1
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1sc3CCCc3c1C(N)=O)C2=O
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O
Clc1ncccc1C(=O)OCC(=O)NCc1ccco1
[#6]-[#6]-1-[#6]\[#7+](-[#6]-[#6](-[#6])-[#8]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:15|
COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1
CN(Cc1ccccc1)C(=O)COC(=O)\C=C\c1ccco1
O=C(CSc1nccc(=O)[nH]1)N1N=C2C(CCCC2=Cc2ccco2)C1c1ccco1 |w:19.21,c:13|
Cc1ccc(c(C)c1)-n1nc(cc1C(O)=O)-c1ccco1
OC(=O)c1cc(nn1-c1cccc(Cl)c1)-c1ccco1
CCc1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)s1
O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)NCc1ccco1
Brc1ccc(cc1)C(=O)NN=Cc1cccc(Br)c1
CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1)C1COc2ccccc2O1 |t:14|
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)NCc1ccco1
CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCCC1)NC1CCCCCCC1
O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3CCCc3c2C(N)=O)n1
O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1
O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12
COC(=O)Cn1c(=O)c2C(=O)C(Nc2n(Cc2ccccc2)c1=O)=Cc1ccc(Br)cc1 |w:24.27|
Clc1cnn(CC(=O)NC2CCS(=O)(=O)C2)c(=O)c1Cl
O=C(OCc1cc(=O)n2c(n1)sc1ccccc21)c1ccc2c(c1)nc1CCCn1c2=O
CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Clc1cccc(c1)C(=O)NNc1ncnc2ccccc12
COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)c(OC)c1
Brc1ccc2nc(COC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc(=O)n2c1
Cc1ccc(cc1)-c1csc(n1)-c1c(O)cn(NC(=O)c2ccco2)c1N
CC=CC=CC(=O)C1[C@@H]2[C@@H]([C@@H](C(=O)C=CC=CC)[C@](C)(C1=O)C(=O)C2(C)O)[C@]1(C)OC(=O)C(C)C1=O |w:13.12,4.4,16.16,1.0,TLB:23:22:9.10:7.20,5:7:9.10:24.22,27:9:24.22:7.20,THB:26:24:9.10:7.20,25:24:9.10:7.20,21:20:9.10:24.22,11:10:24.22:7.20|
CCCCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)CO |c:24,t:4|
COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)nc3sc(C(O)=O)c(C)c23)n1
Cc1ccc(cc1C(=O)Nc1cccnc1)S(=O)(=O)N1CCCCC1
C1CCCN(CC1)c1nc2ccccc2c2ccccc12
CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
CCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)\C=C\C=C/C)C(N)=O)C1 |t:12|
[H]C12CC[N+](CC1)(CC2C(O)(c1ccccc1)c1ccccc1)C(C)C |THB:9:8:3.2:5.6,(6.05,3.28,;5.56,4.74,;1.72,3.05,;2.49,1.71,;5.16,3.25,;7.98,2.08,;8.38,3.57,;3.65,6.05,;4.99,6.82,;5.38,8.3,;6.87,7.91,;3.9,8.7,;3.5,10.19,;2.01,10.59,;.92,9.5,;1.32,8.01,;2.81,7.61,;5.78,9.79,;7.27,10.19,;7.67,11.68,;6.58,12.77,;5.09,12.37,;4.69,10.88,;4.76,1.76,;5.85,.68,;3.67,.68,)|
C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:15|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccn2)c1=O
O=C(NN=C\C=C/c1ccco1)c1ccccn1
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3)cc2)\C#N)c1
Cc1ccc2=NC(=O)C(NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)=c2c1 |c:29,t:4|
COc1ccc(\C=C(/C#N)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
Cc1ccc(cc1)-n1nc(cc1C(O)=O)-c1ccco1
Clc1c(sc2ccccc12)C(=O)Nc1ccnc(=O)[nH]1
Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccco3)c(cc1c2=O)C#N
COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)C2CCCCC2)cc1
CC(=C)CCOC(=O)C(CC(O)=O)NCc1ccco1
Clc1nc(Cl)nc(n1)-c1cn(-c2ccccc2)c2ccccc12
CC#CC#Cc1cccc(=O)o1
C[N+](C)(C)CCCN(Cc1ccc2OCOc2c1)C(=O)NC1CCCCC1
O=C1N=c2ccccc2=C1Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |c:9,t:2|
OC(=O)Cc1ccc(cc1)N=Nc1c(O)c(cc2ccccc12)C(O)=O |w:11.12|
CSc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(O)=O)cc1
CCCc1nc(no1)-c1cc2cc(C)ccc2[nH]c1=O
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
[O-][N+](=O)c1ccc(OCC(=O)Nc2nnc(s2)-c2cccnc2)cc1
OC(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCCC1
CN(C)C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3ccccc3Cl)c2c1
CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1
Clc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)o1
O=C(OCc1nnc(o1)-c1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccco1
Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1C1COc2ccccc2O1
CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1ccc[nH]1 |w:3.3|
CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(OC)cc1
CCCCC1(C)OC(=O)C(=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C(=O)O1 |(3.08,-7.77,;4.62,-7.77,;5.39,-6.43,;6.93,-6.43,;7.7,-5.1,;8.47,-6.43,;6.37,-4.33,;6.37,-2.79,;5.03,-2.02,;7.7,-2.02,;7.7,-.48,;9.03,.29,;10.44,-.34,;11.47,.81,;10.7,2.14,;9.2,1.82,;11.33,3.55,;10.42,4.79,;11.05,6.2,;12.58,6.36,;13.21,7.77,;13.49,5.12,;12.86,3.71,;15.02,5.28,;15.92,4.03,;15.64,6.68,;9.03,-2.79,;10.37,-2.02,;9.03,-4.33,)|
O=C1Nc2ccc3sc4ccccc4c3c2C1=O
OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1 |w:14.14|
Oc1cc(-c2ccc(cc2)[N+]([O-])=O)c2oc(=O)sc2c1
Clc1ncccc1NC(=O)c1ccc(=O)oc1
CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
OC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)o1 |w:13.13|
CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 |w:9.8|
Oc1cccc2C(=O)CC(=O)C(=O)c12
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCC(=O)NCc1ccco1
COc1cc(O)c(C(C)=O)c(CC(O)=O)c1
CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(O)=O
CC\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C2(C)CC2)C(N)=O)C1 |t:13|
Nc1cc(ccc1N1C(=O)CCCC1=O)[N+]([O-])=O
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
OC(=O)CSc1ncnc2c1sc1nc(c3CCCc3c21)-c1ccccc1
Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1)C(O)=O
Fc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1 |w:5.4,c:16|
CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12
Fc1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3OCOc3c2)cc1 |w:6.6|
OC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 |w:16.17|
CCCc1ccc(cc1)C(=O)NC(=O)c1ccccc1O
OC(=O)CCNc1ccc(Cl)cc1
COc1cc2nc(NC(=O)c3ccco3)sc(=O)c2cc1OC
Cc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12
O=c1n2N=C(CSc2nc2sc(cc12)-c1ccccc1)c1cccs1 |c:3|
CC(=O)c1sc(C(O)=O)c(-c2ccco2)c1-c1ccco1
Cc1scc(NS(=O)(=O)c2ccc(C)cc2)c1C(O)=O
Fc1ccc(cc1)C(=O)Nc1nc2ccsc2c(=O)s1
Clc1ccc(cc1)C(=O)Nc1nc2ccsc2c(=O)s1
Fc1ccc(C(=O)Nc2nc3ccsc3c(=O)s2)c(Cl)c1
COc1ccc(cc1)C(CC(=O)N1CCCC(C)C1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1ccc(cc1)C(CC(=O)N1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1cc(OC)c2ccc(=O)oc2c1C(CC(=O)N1CCCC(C)C1)c1ccc2OCOc2c1
COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
O=C1CCN(Cc2ccccc2)S(=O)(=O)c2ccccc12
COC(=O)C1C(NC(=O)N=C1COc1ccccc1)c1ccc2ccccc2c1 |c:9|
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
Cc1cc(nc2c(Br)c(nn12)C(O)=O)-c1ccccc1
CC(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccc(COc2ccccc2Cl)o1 |w:12.13|
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)C(O)=O)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
Fc1ccccc1NC(=O)c1cc(nc2ccccc12)-c1ccco1
CC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12
Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1O
Cc1ccc(C)c(OCCn2ccnc2)c1
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|
[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccccc1Br |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
CNc1[nH]c(=O)[nH]c(=O)c1N=Nc1cc(Cl)ccc1Cl |w:11.12|
O=S(=O)(Nc1ccccc1)c1cccc2nsnc12
Clc1ccccc1NS(=O)(=O)c1cccc2nsnc12
COC(=O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(=O)OC
CC[N+](C)(CC)CCC(C1CCCCC1)c1ccccc1
OC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1
CC(C)OCCOc1ccc2oc(cc(=O)c2c1)-c1ccco1
[O-][N+](=O)c1ccc(NN2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C1=O
OC(=O)c1ccc(COc2ccc(\C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1
OC(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
C[n+]1ccc(cc1)C(=O)NCc1ccccc1
COc1cc(NC(=O)c2ccc3C(=O)N(CCC(C)C)C(=O)c3c2)c(cc1OC)C(O)=O
NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
C[n+]1ccc(cc1)C(=O)Nc1ccccc1Cl
CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c1ccc(cc1)C#C)C(O)=O |c:5|
NN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
C[N+](C)(C)CCNC(=O)C1=C\C(=C/[NH+]=O)N(Cc2ccccc2)C=C1 |c:24,t:9|
[O-]S(=O)(=O)CCC[n+]1ccc(Oc2ccccc2)cc1
COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1
Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 |w:6.6|
COc1ccccc1OCCn1c(SCC(O)=O)nc2ccccc12
COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
COC(=O)c1ccc(cc1)C(=O)Nc1ccc2C(=O)NC(=O)c2c1
Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1Br |w:7.7|
CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
COc1cc(C=Cc2nc(O)c([N+]([O-])=O)c(=O)[nH]2)ccc1OCC=C |w:5.4|
Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
COc1cccc(c1)N1[C@@H](CC(O)=O)c2cc(ccc2S1(=O)=O)C(F)(F)F
COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
CC(C)CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3ccccc3Br)ccc12
CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
[H]C12Cc3ccc(OC)c4OC5C(O)C=CC1C5(CC[N+]2(C)C)c34 |c:14,TLB:9:23:16:20.18.19|
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
Cc1ccc(NC(=O)c2cc(n[nH]2)-c2ccc(C)c(C)c2O)cc1C
CCOc1ccc(C=NNC(=O)c2cc3c(OC)cccc3[nH]2)cc1
Cc1c(CC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
CCOC(=O)CN1C(=O)S\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Cn1c(SCC#C)nc2sc3CCCc3c2c1=O
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccccc1C(O)=O)C#N |w:11.13|
CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Cc1cc(=O)oc2cc(NC(=O)c3cccc(F)c3)ccc12
OC(=O)c1ccccc1-c1ccc(C=Nc2sc3CCCCc3c2C#N)o1
Cc1c(CC(=O)NCCCCCC(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
COc1ccc2c3ccc(OCc4ccc(cc4)C(O)=O)c(C)c3oc(=O)c2c1
OC(=O)c1cccc2c3ccccc3[c-](\N=[NH+]\c3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)c12
Cc1c(CC(O)=O)c(=O)oc2c(C)c(OCc3ccccc3Br)ccc12
Cc1c(cccc1-c1ccc(C=Nn2cnnc2)o1)C(O)=O
OC(=O)c1ccc(COc2ccc(\C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1
CCOc1ccc(CCNC(=O)C2CC(C)=CCC2C(O)=O)cc1OCC |c:15|
Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O)c(C)c3cc2c1C
Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12
CC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1
Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCCOc3cccc(OC)c3)c(OC)c1)C2=N |w:14.15,c:10,t:5|
Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)n1
Clc1ccc(C=NNC(=O)c2ccc3OCOc3c2)cc1
COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCCc1ccccc1
CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1
Cc1ccc(CCNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1
CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
COc1ccc(Oc2coc3cc(OC(C)C(O)=O)ccc3c2=O)cc1
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(c1)C(O)=O |w:4.3|
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
C=CCNC(=O)COC(=O)c1c2CCCc2nc2ccccc12
COC(=O)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1
COc1cccc2cc(oc12)-c1cc(=O)oc2cc(C)c(O)cc12
CC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCC2)cc1
CC1CCC(CC1)NC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1 |(20.8,4.54,;19.29,4.23,;18.27,5.37,;16.76,5.06,;16.28,3.59,;17.31,2.44,;18.82,2.76,;14.77,3.27,;14.29,1.81,;15.32,.66,;12.79,1.49,;12.31,.03,;10.85,-.44,;9.52,.33,;8.18,-.44,;8.18,-1.98,;9.52,-2.75,;10.85,-1.98,;12.31,-2.45,;13.21,-1.21,;14.75,-1.21,;6.85,-2.75,;6.08,-1.42,;7.62,-4.08,;5.52,-3.52,;5.36,-5.05,;3.85,-5.37,;3.08,-4.04,;4.11,-2.89,)|
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1
Cn1c(NN)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12
NC(=O)c1cc2ccccc2oc1=NNC(=O)c1ccccc1O
OC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCC(O)=O)c3)c(=O)n2C1c1ccccc1OC |c:5,t:8|
COc1ccc(cc1Cl)S(=O)(=O)c1c[nH]c(=S)[nH]c1=O
Oc1ccc(cc1NC(=O)CCN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O)[N+]([O-])=O
OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)c1
OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)cc1
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
COc1ccc(Nc2nnc(s2)-c2ccncc2)cc1Cl
Cc1ccc(cc1)-c1c(NCCc2ccccc2)c(=O)c1=O
Oc1ccc2cc(C(=O)c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc2C(=O)NC(=O)c2c1
NS(=O)(=O)c1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1
NS(=O)(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1
Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1O
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
COc1ccc(cc1)C(=O)NCC(=O)Nc1ccc(cc1)-c1ccccc1
CN(C)CCNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
OC(=O)c1ccc(\C=C2/N=C(OC2=O)c2ccc3OCOc3c2)cc1 |c:9|
Cc1cc(=O)oc2cc(NC(=O)c3ccc(OC(F)F)cc3)ccc12
CCCCNC(=O)COC(=O)c1c2CCCc2nc2ccccc12
OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Cc1ccc(Cl)cc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N
COc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(OC)c1
Cc1cc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)ccc1Br
Cc1ccc(C)c(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
COC(=O)c1ccc(C)c(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
COc1ccc(OC)c(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
Cc1csc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)n1
COc1cc(Cl)c(C)cc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3cccc(c3)C(F)(F)F)sc12
CCCSc1nnc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)s1
COc1ccccc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3cccc(F)c3)sc12
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)NCc1ccccc1
CCOC(=O)\C=C1/CN(CCC(C)C)S(=O)(=O)c2ccccc12
Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccc(Cl)cc1 |w:14.15|
Oc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH+]1
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccnc1
Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3ccccc3OCc3ccc(cc3)C(O)=O)C2=O)c1
Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
OC(=O)c1ccc(COc2ccccc2\C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1
OC(=O)c1ccc(COc2ccccc2\C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NC1CCCCCC1
Fc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
Cc1ccc(cc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1)C(O)=O
COc1cccc(c1)C(=O)c1cn(CC(=O)NCc2ccco2)c2nc(C)ccc2c1=O
CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)cc1
CC(=O)N1CCOc2ccc(cc12)S(=O)(=O)NCc1ccc(F)cc1
OC(=O)CN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
COc1cc(\C=C2\C(=O)NN(C2=O)c2ccc(C)c(Cl)c2)cc(c1O)[N+]([O-])=O
COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
Cc1ccc(NC(=O)N2CCC(CC2)NC(=O)c2cccc(C)c2)cc1
CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1
COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1 |w:5.4,c:12,t:9|
COc1ccccc1OCCOc1ccc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)cc1 |w:16.16,c:24,t:21|
OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
Fc1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1cccc(Cl)c1
Brc1ccc(\C=C\C=NNC(=O)c2ccc3OCOc3c2)cc1
Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc2ccccc2c1
CCSc1nnc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)s1
CC1=CCC(C(C1)C(=O)NC1CCCCC1)C(O)=O |t:1|
CCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
Oc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)S([O-])(=O)=O
Clc1ccccc1NC(=O)COc1ccc(cc1)-n1cnnn1
COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1
Brc1ccc(s1)-c1cc([nH]n1)C(=O)NN=Cc1ccccn1 |w:14.15|
Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccco1
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCCC1=CCCCC1 |t:18|
COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccccc1C |w:5.4,c:12,t:9|
Clc1cccc(NC(=O)COc2ccc(cc2)-n2cnnn2)c1Cl
COc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1
COc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(OC)cc32)cc1
Cc1ccc(NC(=O)CN2C(=O)CSc3ccc(cc23)S(=O)(=O)N2CCCCC2)cc1
CS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCCOc3ccccc3)cc1)C2=N |w:13.14,c:9,t:4|
COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:5.4,c:12,t:9|
CCOc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)cc1
COc1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Clc1ccc2nc(C(=O)N3CCc4ccccc4C3)c(CN3CCCC3)n2c1
COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OC(=O)c1ccco1 |w:5.4,c:12,t:9|
CC(C)c1ccc(\C=C2/SC(=O)N(CC(=O)NC3CS(=O)(=O)C=C3)C2=O)cc1 |c:22|
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)C(O)=O
CN(CC(=O)Nc1ccc(Br)cc1C)C(=O)Cn1c2ccccc2ncc1=O
Brc1cncc(c1)C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
Brc1cc(C=NNC(=O)c2cc3ccccc3o2)oc1Br
CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Brc1ccccc1C(=O)NNC(=O)c1ccc2nc[nH]c2c1
Cc1cc(ccc1NC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1C(O)=O
Cc1cc([nH]n1)C(=O)NN=CC=Cc1ccc(Br)cc1 |w:9.9,12.13|
OC(=O)c1ccc(NC(=O)CCN2C(=O)S\C(=C/c3ccc(Cl)cc3)C2=O)cc1
CC(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
COc1cc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc(OC)c1OC
CC(C)c1ccc(OC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)cc1
COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2cccn2C)cc1
C[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
COc1ccc2c3ccc(OC(C)C(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(O)=O)c(C)c3oc(=O)c2c1
CCCc1cc(=O)oc2cc(OCC(=O)NC(Cc3c[nH]c4ccc(O)cc34)C(O)=O)c(Cl)cc12
CC(C)C[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(CC1)C(O)=O |(16.53,.37,;16.52,-1.17,;15.18,-1.94,;13.85,-1.16,;13.85,.44,;12.46,1.23,;11.08,.41,;9.75,1.18,;8.41,.41,;7.08,1.18,;7.08,2.72,;5.75,3.49,;4.41,2.72,;3.08,3.49,;4.41,1.18,;5.75,.41,;8.41,-1.13,;7.08,-1.9,;9.75,-1.9,;11.08,-1.13,;12.46,-1.95,;17.85,-1.95,;17.85,-3.49,;19.19,-1.18,;20.52,-1.96,;21.86,-1.19,;23.19,-1.97,;24.52,-1.2,;24.53,.34,;23.2,1.11,;21.86,.35,;25.87,1.1,;27.2,.33,;25.87,2.64,)|
Brc1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)o1 |c:22,t:9|
Brc1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCCC4)=NN3C2=N)o1 |c:21,t:9|
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)o1 |c:31,t:18|
N=C1N2N=C(CC(=O)N3CCCC3)SC2=NC(=O)\C1=C/c1ccco1 |c:16,t:3|
Clc1c(C=NNC(=O)c2ccco2)sc(=O)n1Cc1ccc(Br)cc1
CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3cccnc3)cc2)cc1C
CC(=NNC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccccc2)cc1 |w:2.2|
O=C(CSc1nc2sccc2c(=O)[nH]1)N1CCN(CC1)c1ccccc1
CCc1ccc(OCc2cccc(c2)C(=O)NN=Cc2cnn(C)c2C)cc1 |w:17.17|
O=[#6](-[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
CN(C)C(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
CC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 |w:2.2|
FC(F)C(F)(F)COCc1ccc(cc1)C(=O)NN=Cc1ccc2OCOc2c1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1nn(ccc1=O)-c1ccccc1
[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1
COc1ccc(NC(=O)NNC(=O)c2ccc(cc2)-c2ccccc2)cc1
CCOC(=O)\C=C1/CN(C(C)c2ccccc2)S(=O)(=O)c2ccccc12
[O-][N+](=O)c1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N
Cc1cccc(c1)C(=O)Oc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1
[#8]-c1cc(-[#8])cc(c1)-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)c1
OC(=O)Cc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)cc1
C=Cc1ccc(cc1)C(=O)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1
Cn1c(SCC(=O)Nc2nncs2)nnc1C1CC1
Oc1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(cc3)N3CCOCC3)C2=O)cc1[N+]([O-])=O
Fc1ccccc1C=NNC(=O)c1cc2c(ccc3ccccc23)o1
NC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(=O)Oc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1
OC(=O)c1ccc(C=NNC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2-c2ccccc2)cc1
Cc1c(OCC(=O)NCC2CCC(CC2)C(O)=O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 |(12.44,-3.11,;12.46,-1.57,;13.85,-.78,;15.18,-1.55,;16.52,-.79,;17.85,-1.56,;17.85,-3.1,;19.19,-.8,;20.52,-1.57,;21.86,-.81,;23.19,-1.58,;24.52,-.82,;24.53,.72,;23.2,1.5,;21.86,.73,;25.87,1.49,;27.2,.71,;25.87,3.03,;13.85,.83,;12.46,1.62,;11.08,.8,;9.75,1.57,;9.75,3.11,;8.41,.8,;7.08,1.57,;5.75,.8,;4.41,1.57,;3.08,.8,;3.08,-.74,;4.41,-1.51,;5.75,-.74,;8.41,-.74,;7.08,-1.51,;9.75,-1.51,;11.08,-.74,)|
Brc1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCCCC4)=NN3C2=N)o1 |c:22,t:9|
OC(=O)c1ccccc1C=NNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1
Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Oc1cc(O)cc(c1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1
CSCC[C@H](NS(=O)(=O)c1ccc(cc1)C(C)=O)c1nnc2ccccn12
Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
CCCC(NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
COc1ccccc1N\C(C)=[N+](/C)CCNS(=O)(=O)c1ccc(Cl)cc1
COc1cccc(N\C(C)=[N+](/C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
COc1ccc(N\C(C)=[N+](/C)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
C\C(Nc1ccc(F)cc1)=[N+](\C)CCNS(=O)(=O)c1ccc(Cl)cc1
COc1ccc(CN2CCNCC2)c(OC)c1OC
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(F)cc3)nnc2n1
CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2n1
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC(F)F)cc3)nnc2n1
CC(=O)Nc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)cc1
Cc1ccn2c(c1)nc(SCC(=O)NCc1ccc3OCOc3c1)nc2=O
Cc1ccn2c(c1)nc(SCC(=O)NCc1ccco1)nc2=O
Cc1ccn2c(c1)nc(SCC(=O)NCc1ccccc1)nc2=O
CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1ccn2c(c1)nc(SCC(=O)NCc1ccccc1Cl)nc2=O
Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)NCc2ccco2)o1
COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
COc1cc(\C=C2/SC(=S)N(CCCCC(O)=O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(c1)-n1cccc1
[O-][N+](=O)c1ccccc1OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1
CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)C=Cc1ccco1 |w:17.17,c:11|
CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cc(nc2ccccc12)-c1ccco1
COCCCN(C(=O)c1cc(nc2ccccc12)-c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Cc1ccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)nc1
COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1
CCc1ccccc1NC(=O)CNC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NNC(=O)Cc1csc(C)n1
Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C
CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccco2)c1
COc1ccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
CSc1cccc(c1)N1CC(CC1=O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
CN(CC(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1)S(=O)(=O)c1ccc(NC(C)=O)cc1
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
COCCN(C(=O)COC(=O)Cc1coc2cc3CCCc3cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc2nc[nH]c2c1
O=C(COc1ccc(cc1)C#N)Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1 |t:25|
Brc1cncc(c1)C(=O)OCC(=O)NCc1ccco1
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccccc2s1
COC(=O)C1CCN(CC1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(SC)c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccccc1OCC(=O)NC1(CCCCC1)C#N
C[N+]1(CC=C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(nc2ccccc12)-c1ccco1
CCOc1ccc(OCCCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
OCCNc1ccccc1C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1 |t:29|
Cc1cnc(cn1)C(=O)OCc1nc2ccsc2c(=O)[nH]1
CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cccc(c1)-n1cccc1
Brc1cccc(c1)C(=O)COC(=O)c1csc(NCC=C)n1
Nc1nc(cs1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19|
COc1cccc(C=Nn2c3nc4ccccc4nc3c3c2ncn(CC=C)c3=O)c1OC
Cc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1
C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C
CSc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1
CCOC(=O)c1c(C)c(sc1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
OC(=O)C1CCCCC1C(=O)Nc1cccc(Br)c1
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
C[Se]C[C@@H](N)C(O)=O
COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1
O=C(OCC(=O)c1ccc2OCC(=O)Nc2c1)C=Cc1ccco1 |w:18.20|
O=C(C1COc2ccccc2O1)N1CCN(CC1)S(=O)(=O)c1ccccc1C#N
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CC1
Cc1sc2ncnc(SCC(=O)Nc3ncccc3O)c2c1C
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NC1CCCCC1
CCc1ccc(Nc2nnc(SCC(=O)NC(=O)CN3CCCC3=O)s2)cc1
CC(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1
[O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(5.85,4.65,;5.85,3.11,;4.52,2.34,;7.18,2.34,;7.18,3.88,;8.52,4.65,;9.85,3.88,;9.85,2.34,;8.52,1.57,;8.52,.03,;9.85,-.74,;11.23,.08,;12.62,-.71,;13.95,.06,;12.62,-2.32,;13.95,-3.09,;11.23,-3.11,;11.21,-4.65,;9.85,-2.28,;8.52,-3.05,;7.18,-2.28,;5.81,-3.11,;5.82,-4.65,;4.41,-2.32,;3.08,-3.09,;4.41,-.71,;3.08,.06,;5.81,.08,;7.18,-.74,)|
CSc1ccc(\C=C(/C(O)=O)c2ccc(s2)S(=O)(=O)N2CCCC2)cc1
[O-][N+](=O)c1ncccc1OCC(=O)Nc1ncc(Cl)cc1Cl
Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)COc2ccccc2)C3=O)C(O)=O)s1 |t:7|
Cc1cc(=O)oc2cc(NC(=O)c3cc(F)ccc3F)ccc12
O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1C#N)c1cc2CCCc2s1
Nc1cc(ccc1Cl)C(=O)OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1
Fc1ccccc1Nc1nnc(SCC(=O)NC(=O)CN2CCCC2=O)s1
CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccco1
COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
Cc1cc(C(=O)COC(=O)c2cc(Cl)c(O)c(Cl)c2)c(C)n1C
Cc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c(C)c1
Cc1cccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c1C
Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCOc1ccccc1C
O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)Nc1ccc2ccccc2c1
Cc1ccc(cc1C)C(=O)OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1
Cl\C(C=NNC(=O)c1ccc2OCOc2c1)=C/c1ccccc1
COCCN(C(=O)c1cc(nc2ccccc12)-c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Cc1cc2c(SCC(=O)Nc3cccc(O)c3)ncnc2s1
FC(F)(F)c1ccccc1NC(=O)NC1(CCCCC1)C(=O)N1CCOCC1
O=C(NCCNCc1ccccc1)c1ccco1
COc1ccc(OC)c(NC(=O)CSc2ncnc3sc(C)cc23)c1
Cn1cnc(C(=O)N2CCc3ccccc3C2)c1C(=O)N1CCc2ccccc2C1
Cn1cnc(C(=O)N2CCN(CC2)c2ccccc2)c1C(=O)N1CCN(CC1)c1ccccc1
COc1cc2cnc(-c3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
COc1cc2c(C#CCO)c(oc(=O)c2cc1OC)-c1ccc(cc1)C#N
Fc1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1
COc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
Fc1ccc2cnc(-c3ccccc3)c(-c3cc(F)cc(F)c3)c2c1
CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccco1
O=C(\C=C\c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccccc1
Clc1ccc(cc1NC(=O)C1COc2ccccc2O1)S(=O)(=O)N1CCCCC1
CC1CCCC(C)N1C(=O)COC(=O)\C=C\c1ccc(Br)o1
IC1=CN2CCCC2CC1=O |t:1|
CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NN1CCOCC1
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1OC |w:9.9|
CN(C)C(CNC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccccc1
CC1CC(C)CN(C1)C(=O)COC(=O)\C=C\c1ccco1
O=C(OCC(=O)N1CCCCC1)\C=C\c1ccco1
Oc1ccccc1C(=O)OCC(=O)NCc1ccco1
COc1cc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl
CC1(C)N(C(=O)COc2ccccc2C#N)c2ccccc2NC1=O
NC(=O)c1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1
Brc1ccc(C=NNC(=O)CCNC(=O)c2ccccc2)o1
NC(=O)Cc1ccc(s1)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCCc2s1
COc1ccc(Br)cc1\C=C(/C(O)=O)c1ccc(s1)S(=O)(=O)N1CCCC1
CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Cn1nc(C(=O)Nc2ccc(cc2)-n2cnnn2)c2ccccc2c1=O
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)[NH+]=C1[N-]CCS1 |w:21.22|
Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C3(C)C)ccc12
OC(=O)c1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Nc1c([nH]c(=O)[nH]c1=O)C(=O)OCC(=O)Nc1cccc(c1)[N+]([O-])=O
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1
O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1sccc1C#N
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc12
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
COc1cc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)ccc1OCC=C |w:7.7|
CCCCC(CC)C[C@H]1[C@H](Oc2c(OC)cccc2C1=C)C(=O)OCC
CCCCCC[C@H]1[C@H](Oc2c(OC)cccc2C1=C)C(=O)OCC
CCOC(=O)C1(C)Oc2ccccc2C(C(=O)OC)=C1C(=O)OC |c:19|
C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc(c1)C#Cc1ccccc1 |c:3|
CCOC(=O)C1(C)N(C(=O)OC)c2ccccc2C(=C1C(=O)OC)c1ccc(OC)cc1 |c:19|
CCOC(=O)C1=C(C)c2ccccc2OC1(C(=O)OCC)c1ccccc1 |c:5|
CCOC(=O)\C=C1/CC(Oc2c(OC)cccc12)C(=O)OCC
CCOc1ccc(Nc2ccc(N)c(c2)S(O)(=O)=O)cc1
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
Brc1cc(coc1=O)C(=O)N1CCOCC1
Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1
CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
CCN1C(=O)[C@H]2[C@H]3CN=C(SCC4CC4)N3[C@](Cc3ccccc3)([C@H]2C1=O)C(=O)OC |t:8|
Cc1cc2ccccn2c1C(=O)c1ccc([NH+]=N[CH-]c2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O |w:16.17|
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O
O=C(COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12)NC1CCCC1
Nc1ccc(cc1)C(=O)Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O
Brc1ccc(s1)C(=O)Oc1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)cc1
Nc1ccc2cccc(O)c2c1
CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Fc1cc2sc(NC(=O)COC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nc2c(F)c1F
CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Cc1nnc(NS(=O)(=O)c2ccc(cc2)\N=N\c2ccc(N)nc2N)s1
Clc1ccc(cc1Cl)C(=O)NNC(=O)c1ccc2ccccc2c1
Clc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1
CCOC(=O)C(=O)Cc1cccnn1
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)OC(C)(C)C |t:5|
[O-][N+](=O)c1ccc([CH+][N-]NC(=S)N[N-][CH+]c2ccc(cc2)[N+]([O-])=O)cc1
CCOc1ccccc1C(=O)c1cc(O)c2ccccc2c1O
OC(=O)c1cccc2C(=O)N(C(=O)c12)c1ccc-2c(Cc3ccccc-23)c1
[H]C12CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC(O)(CC(O)C1C(O)=O)O2
OC(=O)Cc1cccc(=O)c(O)c1C(O)=O
Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Clc1sc(Cl)c2C(=O)C3OC(=O)NC3c12
CON=C(C(=O)NC1C2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |w:2.1,c:23|
CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
OC(C=O)C1OC(=O)C(O)C1O
CCOC(=O)N(O)c1ccc(C=Cc2ccccc2)cc1
COc1ccc(Cl)cc1C=CC=NNC(=O)c1ccncc1
CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCNC(=O)C1=Cc2ccccc2S1(=O)=O |t:22|
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1=CC2=C(CCC2)S1(=O)=O |t:20,22|
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOCCNC(=O)C1=Cc2ccccc2S1(=O)=O |t:24|
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCCc2s1