240 SMILES Strings for Glutathione S-transferase Mu 1

Compound Name
SMILES String
Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
N(c1ccccc1)c1cccc(Nc2ccccc2)n1
CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
CN1CCN(CC1)c1ccc(N)cc1
COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
COC(=O)c1sc2nc[nH]c(=O)c2c1C
COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2)n1
CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|
CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
COc1ccccc1Nc1nc(cs1)-c1c(C)nc2ncccn12
OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(O)=O)cc1
COc1ccc(OC)c(Nc2nc(cs2)-c2sc(N)nc2C)c1
COc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1
Cc1cccc(c1)S(=O)(=O)c1c(N)n(N=Cc2cccnc2)c2nc3ccccc3nc12 |w:14.14|
Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1 |w:14.16|
COc1cc2CCn3c(cc(NC4CCCCCC4)nc3=O)-c2cc1OC
COc1cc2CCn3c(cc(NC4CCCCCCC4)nc3=O)-c2cc1OC
COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O
CSc1nc2ccc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)cc2s1
O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
O=C(Cn1ccc2ccc(cc12)C#N)N1CCCc2ccccc12
COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1cccc(F)c1
COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1
CCCc1nc2oc3c([nH]cnc3=O)c2c2CCCCc12
O=C(NCc1cccnc1)c1cccn2c1nc1ccsc1c2=O
Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
COc1ccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC |w:7.7|
CCOc1cccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c1
Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15|
COc1ccc(cc1)-c1c2CCCc2nc2sc3c([nH]c(C)nc3=O)c12
COCCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
O=C1N(CCc2c[nH]c3ccccc23)\C(S\C1=C/c1ccc(o1)N1CCOCC1)=N\c1ccccc1
Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Clc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(o2)N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
Oc1ccc(CN=Nc2nc3ccccc3c(=O)[nH]2)cc1 |w:7.7|
COC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:11.11|
CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
[#6]-[#6]-[#8]-c1ccc2-[#7](-[#6])-[#6](=O)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:12.12|
NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|
CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1[N+]([O-])=O |w:17.18|
CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC |w:7.7|
COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3OCCOc3c2)ccc1O |w:6.6|
CC(C)(C)NC(=O)CC\[N+]([N-][CH+]c1ccc(o1)[N+]([O-])=O)=C1\[N-]S(=O)(=O)c2ccccc12
O=c1[nH]cc(C=NN=Cc2ccccc2)c(Nc2ccccc2)c1C#N |w:6.6,8.8|
N=c1oc2ccc3ccccc3c2cc1-c1nc(cs1)-c1ccccc1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1 |w:17.18|
Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1 |w:13.13|
Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(C1CCCCC1)c3=O
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Fc1cccc(c1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
O=C(CNC(=O)Cc1ccccc1)N\N=C1/C(=O)N(Cc2ccc3OCOc3c2)c2ccccc12
CCOc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1OCC
CCOC1=CC(=Cc2sc(=O)[nH]c2N)C=CC1=O |w:6.6,c:15,t:3|
NS(=O)(=O)c1ccc(CCN2C(=S)S\C(=C\c3ccc(Cl)cc3)C2=O)cc1
Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C |c:8,16|
NC(=S)NNC1=c2cc(F)c(F)cc2=NC1=O |c:5,14|
[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1 |w:8.8,c:18|
Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
COc1cc(CN=Nc2ncnc3sc4CCCc4c23)ccc1O |w:7.7|
CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
[O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O |w:5.4,c:17|
COc1ccc(cc1)C(=O)NN=c1oc2ccccc2cc1C(N)=O |w:11.11|
Cc1cc2[nH+]c3c(cn(C)c4ccccc34)c2cc1C
Cc1ccc(O)c(c1)\[NH+]=C\c1c[c-](Cc2ccccc2)cc([N+]([O-])=O)c1=O
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1)C(O)=O
Oc1ccc(C=NNC(=S)NN=Cc2ccc(O)cc2)cc1 |w:6.6,11.10|
COc1cc(cc(Br)c1O)C(=S)NCc1ccccc1
COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc1CCCCc1c2=O |w:9.10|
OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccc(Cl)cc2)o1 |w:14.14|
COc1ccc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C(O)=O
Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)N4CCCc5ccccc45)nnc3c2c1
COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:16.15|
Oc1cccc(NC(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1
O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1 |w:3.2,18.19|
Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12 |w:8.7|
COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
Oc1c(CN2CCOCC2)ccc2ccccc12
COc1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1 |w:3.3|
CCOC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(Br)cc1
[O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)OCC(=O)NC1CC1
Oc1ccc(cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)S(=O)(=O)Nc1ccccc1Cl
Brc1cccc(c1)-c1cc([nH]c(=O)c1C#N)-c1ccco1
O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12
Cc1ccc(cc1)-c1csc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c12
COc1ccc2c(C)nc(N=C(N)NS(=O)(=O)c3ccc(C)cc3)nc2c1 |w:10.9|
O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccco1)c1ccccc1
COCCN1C(=S)S\C(=C/c2ccc(cc2C)N2CCCC2)C1=O
COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S |w:13.13,10.9|
COc1ccc(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)cc1OC
CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
Oc1ccc(CN=Nc2nnc3c(n2)[nH]c(=O)[nH]c3=O)cc1 |w:7.7|
Clc1nn2c(nc3ccccc3c2=O)c2ccccc12
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
CC(C)c1cc(NCc2ccccn2)n2c(nc3ccccc23)c1C#N
O=C(C[n+]1cccc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1
COc1ccc([CH+][N-]NC(=O)c2ccncc2)cc1Cn1nc(c(Br)c1C)[N+]([O-])=O
CC(=O)Nc1ccc(Nc2ccc3n(C)c(=O)cc4-c5ccccc5C(=O)c2c34)cc1
[O-][N+](=O)c1ccc2c(c1)c(nc1nncn21)-c1ccccc1
O=C(NCc1cccs1)c1cccn2c1nc1ccsc1c2=O
O=c1c2ccccc2nc2ccc(NCc3cccs3)nn12
Nc1c(cc(cc1[N+]([O-])=O)-c1c[nH]cn1)[N+]([O-])=O
COc1ccc2oc(=NNC(=O)c3cccs3)c(cc2c1)C(N)=O |w:8.8|
O=C(C=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)c1ccccc1 |w:3.3,c:14|
CN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:10|
OCCN(N=Cc1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
CN(N=Cc1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
COc1cc2nc(=S)[nH]c(NC3CCCCCC3)c2cc1OC
Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(cc1)C(O)=O
O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
CCOc1ccccc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
NC(=S)NNC1=c2cc(Br)cc(Br)c2=NC1=O |c:5,14|
CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccc(Cl)cc2Cl)c1N
CSc1nc(Cc2ccccc2)cc(=O)[nH]1
CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCC1
COc1cc2nc(=S)n(Cc3ccccc3Cl)c(N)c2cc1OC
COc1ccc(cc1)N=CCc1nc(SC)nnc1C |w:8.8|
Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
CC(C)(C)c1ccc(cc1)C(=O)CC(Sc1ccc(Cl)cc1)C(O)=O
COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1CC=Nc1cc(C)cc(C)c1 |w:23.25|
Nc1nc(=O)c2C(C3=C(Nc2[nH]1)c1ccccc1C3=O)c1cccc2ccccc12 |c:7|
COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
O=C(Cc1ccc(Nc2[nH]c(=S)nc3ccccc23)cc1)NC1CCCCC1
COc1cc2nc(=S)[nH]c(NCC=C)c2cc1OC
COc1cc2nc(=S)[nH]c(NCCc3ccc(C)cc3)c2cc1OC
COc1cc2nc(=S)[nH]c(Nc3ccc(NC(C)=O)cc3)c2cc1OC
OC(=O)c1cc(cc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1)C(O)=O
CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
COc1ccc(cc1)-c1cc(O)c(nn1)C(=O)c1ccc(C)cc1
CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12 |w:6.25|
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
[O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc2nccnc2c1
OCCNc1nn2c(nc3ccccc3c2=O)c2ccccc12
COc1cccc2cc(oc12)-c1cc[nH]c(=S)n1
COc1ccc(Cn2c(N)c3cc(OC)c(OC)cc3nc2=S)cc1Cl
O=c1c2ccccc2nc2c3ccccc3c(NCc3cccnc3)nn12
CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1 |w:11.10|
[O-][N+](=O)c1cccc(c1)C(=O)N[N-][C+](c1ccccc1)c1ccccn1
Cn1c(SCCOc2ccccc2F)nc2ccccc2c1=O
[O-][N+](=O)c1ccc2c(c1)ncn(Cc1ccccc1C(F)(F)F)c2=O
COc1ccc(cc1OC)-c1csc(n1)-c1c(O)cn(C(C)C)c1N
Fc1cccc(Nc2ncnc3n[nH]cc23)c1
COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)CC1
COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nc2ccccc2[nH]1
OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
COc1ccc(cc1NC(=O)COc1cccnc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1
COc1cc(CN=Nc2nc(C)nc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|
Cc1nc(N=NCc2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1 |w:4.3|
Nc1nc(N2CCN(CC2)C=O)c(C#N)c(CC#N)c1C#N
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
CCOc1cc(C=NNC(=O)c2cc(nc3ccccc23)-c2cccnc2)ccc1O |w:7.7|
COc1ccc(cc1NC(=O)c1ccc(o1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
CCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:6.5|
CC(C)NC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:7.6|
NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NCCC(O)=O)C(O)=O
NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O
CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O
c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NC(C(O)=O)c1ccccc1
Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1
C[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N\N=C\c1ccc(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c(c1)[N+]([O-])=O)C(=O)N\N=C\c1ccc(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c(c1)[N+]([O-])=O |r|
CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:21|
[#6]-[#8][C@]1([#6])[#8]-[#6@H]-2-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]=[#6](-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#6@@H]-2-[#8][C@@]1([#6])[#8]-[#6] |r,t:13|
CCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 |r,t:8|
[#6]-[#8][C@]1([#6])[#8]-[#6@H]-2-[#6@@H](-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]=[#6](-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#6@@H]-2-[#8][C@@]1([#6])[#8]-[#6] |r,t:18|
CO[C@]1(C)O[C@H]2[C@@H](OC\C=C\c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:18|
CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc(cc3)-c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:23|
CCCCCCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 |r,t:12|
CCCCCCCCCCO[C@H]1CC(COC(C)=O)C(=O)C(=O)[C@H]1O |r|