714 SMILES Strings for Sentrin-specific protease 6

Compound Name
SMILES String
Brc1ccc(cc1)-c1cnc(o1)-c1cccs1
Cc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|
CN(C(=O)c1ccccc1)c1nc2ccccc2s1
CCCOc1ccc(cc1)-c1nnc(o1)-c1ccco1
O=c1n2CCCN=c2sc1=Cc1ccc2OCOc2c1 |c:6|
Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
CC(C)c1ccc(cc1)-c1nnn(CCC(O)=O)n1
Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1O
CCOc1ccc(OCc2ccc(o2)C(=O)OCc2ccccn2)cc1
Cn1c(cc2sccc12)C(=O)Nc1ccc2OCOc2c1
Cc1c(NC(=O)c2ccccc2N)cccc1C(O)=O
CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
C(Cc1ccccc1)Nc1ncnc2n(ncc12)-c1ccccc1
C=COC(=O)CSc1nc(ccc1C#N)-c1cccs1
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1 |t:13|
COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1
CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
COc1ccc(OC(=O)c2cc3ccccc3o2)cc1
Cc1ccc2oc(nc2c1)-c1ccco1
CCn1cnc2sc(cc2c1=O)-c1ccccc1
CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
Nc1nnc2CCCCc2n1
COC(=O)Nc1nnc(s1)-c1ccccc1Cl
Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1
Nc1c(cc(Cl)c2nonc12)N1CCCC1
Cc1ccnc2ccc(cc12)-c1nc2ccccc2o1
CCOC(=O)c1cc(n[nH]1)-c1cc2ccccc2o1
NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2CCCc12
Cc1ccc(s1)C(=O)OCC(=O)c1ccc(Cl)s1
COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1
Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12
c1csc(c1)-c1csc(n1)-c1cccs1
CSc1ncccc1C(=O)OCc1ccccc1
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Fc1cccc2sc(nc12)N1CCCCC1
Nc1nc2ccccc2n1N=Cc1ccc(Br)cc1
CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
Cc1ccccc1-c1nnc(SCc2ccccc2F)o1
O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)c1cccnc1
[O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
COc1cccc2sc(Nc3nc(cs3)-c3ccccn3)nc12
NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1
CN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccccc1
N(c1ccccc1)c1ncnc2c3ccccc3oc12
O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)N1CCOCC1
Cc1cccc(c1)-c1noc(n1)C1CCCCC1
Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
Oc1c(ccc2ccccc12)-c1cc(n[nH]1)-c1ccco1
Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Cl)c1
Fc1ccccc1CSc1nnc(o1)-c1ccccc1
Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1
CCOC(=O)c1sc(cc1N)-c1ccc(OC)cc1
Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8|
Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccco2)cc1
CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1
COc1ccc(cc1)-c1cc(O)cc(O)c1
Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
CC(C)(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
Brc1ccc(s1)C(=O)Nc1nc2CCCCc2s1
COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;13.85,-.45,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
Cc1occc1C(=O)Nc1nnc(s1)C1CCCCC1
Clc1ccc(COn2nnc3ccccc23)c(Cl)c1
C1CCC(CC1)c1noc(n1)-c1ccccc1
Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
Clc1ccc(s1)C(=O)Nc1nc2ccccc2s1
CC1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(C)c1
CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
Brc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1
Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1
CCOc1cccc(c1)-c1nc2cc(C)ccc2o1
CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
Clc1ccc2oc(nc2c1)-c1ccccc1
Cn1c(SCc2ccc(cc2Cl)C#N)nc2ccccc12
Cc1ccc(OCc2nc(no2)-c2ccccc2)c(C)c1
COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
COc1ccc(cc1)-c1noc(Cc2cccs2)n1
COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
OC(=O)c1ccc(OC2CSC2)cc1
CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
CCO\C=C1/C(=O)N(C(=O)c2ccccc12)c1ccccc1
CCOC(=O)c1cc2ccc3ccccc3c2s1
COC(=O)c1sccc1NC(=O)CCC1CCCCC1
Cc1cc(C)n(n1)-c1cc(Oc2ccc(C)cc2)ncn1
CCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |w:11.12|
O=C(CCc1ccccc1)c1ccc2OCCCOc2c1
Oc1ccc(cc1)-c1nc2ccccn2c1NCc1ccco1
Cc1ccccc1-c1nc2cc(Cl)ccc2o1
Clc1ccc(NC(=O)Nc2nccs2)cc1
COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
O=c1oc(nc2sc3CCCCc3c12)-c1ccco1
Brc1ccc(o1)C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
Cc1ccccc1-c1nc2sc3CCCc3c2c(=O)o1
COc1ccc(cc1)-c1csc(NC(=O)c2ccco2)n1
Cc1ccc2oc(nc2c1)-c1ccccc1
ClCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
Clc1ccccc1OCc1ccc(o1)C(=O)OCc1ccccn1
Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
OC(=O)c1cccc(c1)-c1nnn(Cc2ccccc2Cl)n1
CC(=O)c1cccc2C(=O)C(Nc12)=C1Nc2ccccc2C1=O |w:10.10|
Cc1ccc(cc1)-n1cc2ccc(cc2n1)[N+]([O-])=O
Cc1ccccc1-c1nnc(o1)-c1ccccc1C
Fc1cccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)c1
Clc1ccccc1-c1ccc(o1)C(=O)Nc1ccccc1
COc1ccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)cc1
COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:8|
Brc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Cc1ccn2n(C(=O)c3ccccc3)c(=S)nc2c1
Cc1noc(CC=Nc2cccc(C)c2)c1[N+]([O-])=O |w:7.7|
Clc1ccsc1-c1csc(n1)-c1cccnc1
Cc1snc2sc(C(=O)c3ccc(C)cc3)c(N)c12
Clc1nnc(N=NCc2ccccc2)c2ccccc12 |w:5.4|
CSc1ccccc1NC(=O)c1cc(on1)C1CC1
COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
Cc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)n1N
Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C)c2)c1C |w:10.9|
O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1
Clc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
Fc1ccc(NC(=S)N2N=CCC2c2ccccc2)cc1 |c:9|
CCn1c(SCc2ccccc2Cl)nc2ccccc12
O=C(CSCc1ccccc1)N1CCc2ccccc12
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
CCSc1nnc(NC(=O)c2ccc(C)cc2)s1
O=C1N(CCSc2ccccc2)C(=O)c2ccccc12
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1
Oc1ccc2occ(C(=O)c3cccs3)c2c1
Cc1ccc(cc1)-c1noc(CSc2ccccc2)n1
COc1ccc(cc1)C(N)=NOC(=O)CSc1ccccc1 |w:10.11|
Cc1ccc(cc1C)C(=O)c1cc2ccccc2o1
CCCOc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1
COC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
Clc1ccc2oc(cc(=O)c2c1)-c1cccs1
CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccc(C)cc1C |w:4.3|
Cc1ccc2n3CCN(C4CCc(c34)c(=O)c2c1)C(=O)CCl
CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
Cc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1F
CCCSC(N)=NN=Cc1cc(C)ccc1O |w:4.3,7.6|
Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
COCC(C)n1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C
COc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
COc1cccc(Nc2nc(cs2)-c2ccc3OCCOc3c2)c1
CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C
Cc1ccc(Nc2ncnc3c4ccccc4oc23)cc1
Cc1csc(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)n1 |w:6.6|
CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Clc1ccccc1COC(=O)c1cccnc1Cl
CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
Cc1ccc(cc1)S(=O)(=O)NC(=NC(=S)Nc1ccccc1)c1ccccc1 |w:12.13|
O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1 |c:9,t:2|
CCN(CC)c1ccc(NC(=O)COC(=O)c2cccs2)cc1
CC(C)(C)NC(=O)COc1ccc(cc1)-c1ccccc1
CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
OC(c1nnc(o1)-c1ccccc1)c1ccc(OCc2ccccc2)cc1
Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1
FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Cc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
Nc1c(N=Nc2ccccc2F)c(=O)[nH]n1-c1ccccc1 |w:3.2|
Clc1ccc(cc1)-c1cc2ccccc2[nH]1
CCCCc1ccc(Nc2ncccc2C#N)cc1
[O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
Cc1nnsc1NC(=O)OCc1ccccc1Cl
NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
O=C(Nc1ccc(cc1)C#Cc1ccccc1)C1CC1
Cc1ccc(cc1)-c1cnn(c1N)-c1cccc(c1)[N+]([O-])=O
Cc1ccc(\C=C\c2nnc(o2)-c2cccs2)cc1
Cn1c2n(CC(=O)Nc3cccc(c3)-c3nc4ccccc4s3)cnc2c(=O)n(C)c1=O
Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|
CC1Cc2ccccc2N1C(=O)CSc1ncccc1-c1nc2ccc(C)cc2[nH]1
Clc1ccccc1-c1ccc(o1)C(=O)Nc1nccs1
COc1ccc(NC(=O)c2csc3CCCCc23)cc1
[O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
CC(=NOC(=O)c1ccc(Cl)cc1)c1nccs1
Fc1ccc(cc1)C(=O)ON=C1CCCc2ccccc12
Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
CC(=NOC(=O)c1ccccc1F)c1nccs1
COn1c(nc2ccc(Cl)cc12)-c1ccccc1
N(c1nnc(s1)-c1ccncc1)c1cccc2ccccc12
[O-][N+](=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Cc1cc(C)nc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
[O-][N+](=O)c1ccc(CSc2nc3ccccc3o2)cc1
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
C(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:2.2|
Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7|
O=C(Nc1ccc(Oc2ccccc2)cc1)\C=C\c1ccco1
COc1ccc2oc3ccc(OC)cc3c(=O)c2c1
CCOC(=O)c1ccccc1N=CCC(=O)c1ccccc1 |w:11.11|
On1n(nc([N+]([O-])=O)\c1=N/Cc1ccccc1Cl)-c1ccc2OCCOc2c1
[O-][N+](=O)c1cccc(c1)N=CCC(=O)c1ccco1 |w:9.9|
Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
Brc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
N=C1N2C(SCc3ccccc3)=NSC2=NC(=O)\C1=C/c1cccs1 |c:12,16|
NC(=O)c1ccccc1NC(=O)\C=C\c1c(Cl)cccc1Cl
COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1OC
NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |w:2.2|
[O-][N+](=O)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(C)cn2)n1
Clc1c(OC(=O)N2CCCCCC2)ccc2ccccc12
COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1OC |w:7.7|
COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1F
CCCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2ccccc2Cl)cc1 |w:9.9|
Fc1ccc(cc1)C(=O)COc1ccc(Cc2ccccc2)cc1
COC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1
Cc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1
Nc1c2CCCCc2nc2sc3CCCCCc3c12
Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
CCCCCc1ccc(nc1)-c1ccc(\C=C\C(O)=O)cc1
O=C1\C(Sc2ccccc12)=C\c1cccs1
COc1ccc(CN=Nc2cc(nc(n2)N(C)C)N(C)C)cc1 |w:8.8|
Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1
Cc1nc(NC(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccc2CCCc2c1
COc1c([c-](\C=C(/C#N)c2[nH]c3ccccc3[nH+]2)ccc1=O)[N+]([O-])=O
Cc1c(csc1-c1ccccc1)C(=O)Nc1ccccc1
C(c1ccccc1)n1nc(nc1-c1ccccc1)-c1ccccc1
Fc1cc(Br)ccc1NC(=O)Nc1cccs1
CC(C)CSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:5,8|
COc1ccc(\C=C2\CCc3ccccc3C2=O)cc1OC
Cc1ccc(C\N=c2/c(nn(-c3ccc4OCCOc4c3)n2O)[N+]([O-])=O)cc1
Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|
COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Cc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nc12
O=C(\C=C\c1ccccc1)n1cnnc1SC\C=C\c1ccccc1
COc1ccccc1N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
Brc1ccc(cc1)N(\C=C1/Sc2ccccc2C1=O)C(=O)c1ccco1
Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
OC(=O)c1ccc(COc2ccccc2[N+]([O-])=O)o1
COc1ccc(cc1OC)C(C)=NOCC(=O)Nc1nc2ccccc2s1
CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
Brc1cc(NC2OC(=O)c3ccccc23)c2ncccc2c1
CNC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
CC1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
COc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
Fc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
Clc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccccc1
CCOc1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
CC(C)(C)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1
CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1
CCCCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
Cc1cc(C)c[n+](c1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
Cc1cc(C)n(CCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1
CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
Cc1c(\C=C\C(=O)c2ccccc2O)cnn1C
FC(F)Sc1ccc(NC(=O)Cc2ccccc2F)cc1
CC(=NOC(=O)c1ccc(Br)cc1)c1ccccn1
O=C(Nc1ccc(cc1)N1CCCC1)\C=C\c1ccco1
COc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)N(C)C
Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
Brc1ccc(cc1)C(=O)NCCSc1ccccc1
Cc1ccc(C=NN=Cc2ccc(C)s2)s1
COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Fc1ccc(NC2=C(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
CN(C)C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)c1Cl
CN1C(=O)\C(=N/NC(=O)c2cc(C)oc2C)c2ccccc12
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ncc(cc1Cl)C(F)(F)F
CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc1sccc1C#N
COc1ccc(CN=Nc2nncc3ccccc23)c(OC)c1 |w:8.8|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccc(F)cc1
O=Nc1ccc(NOC(=O)c2ccccc2)cc1
Clc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2CCCc2c1
Cc1ccc(cc1)-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1N
COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C
Clc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
CN(c1ccccc1)c1ccc(C=NN2CCOCC2)cc1 |w:13.14|
CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
Clc1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1
N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
CSc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
COC(=O)c1ccc(nc1C)-c1ccc(F)cc1
Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2
CCOc1ccc(C=NNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O
O=[#6]-1-[#6]=[#6]\[#6](=[#6]\[#6]-c2ccnc3ccccc23)-[#6]=[#6]-1 |c:2,19|
CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |w:3.3|
Nc1cc(Cl)nc(N=NCc2c(O)ccc3ccccc23)n1 |w:8.8|
COc1ccc(cc1)C(N)=NOC(=O)Cc1cccs1 |w:10.11|
Cc1ccc(COc2ccc(CN=O)cc2)cc1
Oc1c(Cl)c(N=CC=C)c(O)c2ccccc12 |w:5.4|
[#6]-[#8]-c1ccc(-[#7]\[#6](-[#6])=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-[#6]
Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl
OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O |c:26|
COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
Oc1ccc(cc1)-n1nnnc1SCC(=O)Nc1sccc1C#N
Cc1ccc(OCc2nc(no2)-c2cccs2)c(c1)[N+]([O-])=O
CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Cc1ccc(C=NOC(=O)c2nn(C)cc2Cl)cc1
CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Cc1ccc(SCC(=O)Nc2cc(ccc2O)[N+]([O-])=O)cc1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
CNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
Oc1ccccc1C=Cc1noc(n1)-c1ccccc1O |w:8.9|
FC(F)(F)c1nnc(NC(=O)c2ccc(Br)s2)s1
O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
Oc1ccccc1-c1csc(n1)-c1ccccc1
COc1cccc(c1)-c1nc(=S)c2CCCCc2o1
CC(=O)c1sc(N=NCc2ccccc2O)nc1C |w:6.5|
Oc1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Brc1ccc(s1)C(=O)Nc1ccc2CCCc2c1
CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O |w:9.9|
Cc1nc(Nc2ccc(cc2)C(O)=O)sc1-c1ccccc1
CCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
COc1ccccc1NC(=O)CCSc1ccc(C)cc1
COc1cccc(NC(=O)c2csc3CCCCc23)c1
Oc1ccccc1C(=O)NC(=O)\C=C\c1ccc(Br)cc1
COc1cccc(NC(=O)C(=S)NC2CCCCC2)c1
COc1cccc(c1)-c1nc2ccc(cc2o1)[N+]([O-])=O
COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
Nn1c(SCc2ccccc2)nc2n(ncc2c1=O)-c1ccccc1
COc1ccc(C)cc1NC(=O)Nc1cccc(C)c1
[O-][N+](=O)c1cccc(c1)-c1cn2ccccc2n1
CCCCCc1ccc(nc1)-c1ccc(OC)cc1
Cn1c(nc2ccccc12)C(=Cc1ccc(O)cc1)C#N |w:11.13|
COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O
Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
Cc1c(cccc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ccc(N2CCCCC2)c2nonc12
CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
Nc1ccc(Br)c2cccnc12
[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
CCOC(=O)C(=C\c1ccc(cc1)N1CCCCC1)\C#N
CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
CCOC(=O)\C=C(/C)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
CC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1
Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1
Cc1ccc(OCc2nc(no2)-c2ccccc2)cc1
CCOC(=O)c1sc(Nc2ccccc2Cl)nc1C
Brc1ccccc1NC(=O)Nc1cccs1
Brc1ccc(CN=Nc2ccccn2)cc1 |w:7.7|
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O |t:2|
COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
[O-][N+](=O)c1ccc([N-]\N=[NH+]\c2ccccc2)cc1
CC(C)(C)c1ccc(NC(=O)c2ccccc2)c(c1)[N+]([O-])=O
CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1 |w:10.10|
COc1ccc2c(C#N)c3ccccn3c2c1
CCOC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1
Cc1ccc(O)c(c1)C1=Nc2ccccc2C1(C)C |t:9|
Clc1ccc(CSc2nc3ccsc3c(=O)[nH]2)cc1
Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
CCC(=O)N(C(C)C)c1c(O)c2ccccc2c(O)c1N=C
Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F
[O-][N+](=O)c1cccc(CN=Nc2ccccn2)c1 |w:10.10|
CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12 |w:6.25|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NC(=O)NCc1ccccc1
CN(C)c1ccc(cc1)C(=O)\C=C\c1ccccc1
COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(OC)c2)c1C |w:10.9|
O=C(\C=C\c1cccs1)c1ccc(cc1)N1CCOCC1
O=C(CSc1ncnc2ccccc12)c1cccs1
COC(=O)c1ccc(cc1)\N=N\c1ccccc1
Clc1cccc(OCn2nnc3ccccc3c2=O)c1
CSc1ncccc1C(=O)OCc1ccccc1Cl
O=C1CC(\C=C\c2ccccc2)=Nc2ccccc2N1 |c:12|
N(c1nc2ccccc2s1)c1ccccc1
CC(OC(=O)c1ccc(s1)[N+]([O-])=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
O=c1n2CCCc2nc2sc(cc12)-c1ccccc1
Fc1ccccc1SCc1nnc(o1)-c1ccccc1Br
Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
CCO\C=C1\C(=O)N(C(=O)c2ccccc12)c1ccc(OC)cc1
Cc1cccc(c1)N=Nc1cnc(N)s1 |w:7.7|
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1
[O-][N+](=O)c1ccc(=O)[c-](c1)C1CC(N=[NH+]1)c1ccccc1F |c:14|
CCN(CC)c1ccc(C=NNC(=O)c2ccoc2C)c(O)c1 |w:10.10|
CCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:6.6|
CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccccc2F)c2ccccc12 |w:10.11|
OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:10.11|
Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)Nc1cccnc1
CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O
COc1cccc(OCc2cc(CN=Nc3ccc(cc3)C(O)=O)ccc2OC)c1 |w:14.14|
CC(C)c1ccc(Nc2[nH]nc(C)c2[N+]([O-])=O)cc1
Cc1ccc(NC(=O)COc2cccc(\C=C3/SC(=S)N(CCC(O)=O)C3=O)c2)cc1Cl
Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccccc3F)CC2)cc1
Fc1ccc(cc1)C(=O)n1n2ccccc2nc1=S
CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:11|
Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O
Cl\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
Br\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
Cc1cc(C(=O)NN=C\C(Cl)=C\c2ccccc2)c(C)o1
Cc1cccc(c1)C(=O)n1n2ccc(C)cc2nc1=S
Brc1c(nc2-c3ccccc3Cn12)-c1ccccc1
CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
Cn1cc(\C=C\C(=O)c2ccccc2)c2ccccc12
CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1
CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|
C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
ClCCCC1C(=O)C(=O)c2ccccc2C1=O
CC(C)OCCC=Nc1c(Cl)c(O)c2ccccc2c1O |w:7.7|
OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
COc1ccc(cc1)-c1cc2ccccc2[nH]1
NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
Fc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
CCOc1ccc(C=C2CCc3ccccc3C2=O)cc1
CCOC(=O)Nc1ccc2nc(sc2c1)N1CCCCCC1
[O-][N+](=O)c1ccc(\C=C2/CCc3ccccc3C2=O)cc1
Nc1ccc(C=Cc2ccc3ncccc3c2)cc1
CN(C)c1ccc(cc1)\N=N\c1cccc2ccoc12
COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1 |(3.45,13.18,;3.45,11.7,;4.73,10.96,;4.73,9.48,;3.45,8.74,;2.13,9.54,;.79,8.78,;.79,7.24,;2.13,6.48,;3.45,7.27,;4.73,6.53,;6.01,7.27,;7.34,6.48,;8.68,7.24,;8.68,8.78,;7.34,9.54,;6.01,8.74,;9.95,9.52,;9.95,11,;11.23,11.74,;12.51,11.01,;12.51,9.53,;11.24,8.79,)|
Cc1cc(N=NCc2ccc3OCOc3c2)nc2ccccc12 |w:4.3|
CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
Clc1ccccc1NC(=O)Nc1ccc(Br)cc1
COc1nc(C)ccc1-c1noc(n1)-c1cccs1
Cc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1 |w:6.6|
CCOC(=O)NNc1ccc2nonc2c1[N+]([O-])=O
Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1 |w:13.14|
OC(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
CC(C)NC(=O)c1ccc2c3OCc4cc(Cl)ccc4-n3nc2c1
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
Cc1cc(O)c(cc1C)-c1cc([nH]n1)C(=O)Nc1cccnc1
O=C1N=C(Nc2ccccc2)SC1=Cc1c[nH]c2ccccc12 |w:13.15,t:2|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1
OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cc(Cl)ccc1Cl |w:9.9|
[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1 |w:10.10|
NC(=N[N-][CH+]c1ccc(cc1)[N+]([O-])=O)c1nonc1N |w:2.2|
CC1Cc2cc(C=C3SC(S)=NC3=O)ccc2O1 |w:6.5,c:10|
OC(=O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
C(N=Nc1ccccc1)c1nc2ccccc2s1 |w:2.2|
Fc1cccc(F)c1-c1nc(no1)-c1ccc(Cl)cc1
C1C2CCc3ccccc3C2=NN1c1ccccc1 |c:12|
CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc(F)cc1
Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Cc1noc(C)c1-c1nc(no1)-c1cccc(C)c1
COC(=O)c1sc(cc1N)-c1ccc(Cl)cc1
OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
N(c1nnc(o1)-c1cccc2ccccc12)c1ccccc1
FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17|
COc1cccc(c1)-c1nnc(o1)-c1ccccc1[N+]([O-])=O
OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
O=c1[nH]c(cc2ccccc12)N1CCOCC1
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
CCCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
CC(=C)c1sc(nc1C)-c1ccc(Cl)cc1
CC(N=O)c1ccc2ccc3ccccc3c2c1
Cc1ccc(o1)C(=O)Nc1nc2ccc(Cl)cc2s1
Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Cc1cccc(C=NN=Cc2cccc(C)c2)c1
OC(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Nc1ccccc1C#Cc1ccc(cc1)[N+]([O-])=O
O=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
c1cc2cccccc2c1\N=N\c1ccccc1
Cc1[nH][nH]c(=O)c1N=Nc1ccc(Br)c(Cl)c1 |w:7.7|
Clc1ccc(cc1)C(=O)CC=Nc1ccccc1C#N |w:11.12|
CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cccc(C(O)=O)c2C)C1=O
OC(=O)C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1
CCOc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
Fc1ccccc1COc1ccc(cc1)C(=S)N1CCCC1
Fc1ccc(COc2ccc(cc2)C(=S)N2CCCC2)cc1
S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1
COc1ccc(cc1)-n1nc2cc(N)c(Br)cc2n1
CCCC1CCC(=CC1=O)c1ccc(OCC)cc1 |c:6|
COc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
Cc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Cc1cccc(c1)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
Cc1ccc(cc1C)C(=O)Nc1cccc2cccnc12
COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl
Brc1ccc(NN=Nc2ccccc2)cc1 |w:7.7|
Fc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
Cc1cc(C)n2nc(cc2n1)-c1cccc(Br)c1
Cc1cc(C)nc(Nc2nc(cs2)-c2ccccc2)n1
COc1cc(OC)cc(c1)C(=O)Nc1ccc(Nc2ccccc2)cc1
COc1cccc(c1)C(=O)Oc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1OC |w:17.18|
CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ccccc2c1
CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
Oc1ccc(Cl)cc1N=Nc1ccccc1 |w:9.10|
COc1ccc(C=NN2CCN(CC2)c2ccccc2OC)cc1Br
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=O)N(CC#C)C2=O)o1
Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1
Clc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1
Cc1ccc(NC(=O)c2ccc3OCOc3c2)cc1Cl
COc1cccc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
Cc1ccc(N=Cc2c(O)c3ccccc3oc2=O)c(C)c1 |w:5.4|
COCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
CC(C)c1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Brc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
N=c1oc2ccccc2cc1C(=O)Nc1ccccc1
CC(C)(C)c1ccc(cc1)C(=O)NCCOc1ccccc1
Cc1ccnc(Nc2nc(cs2)-c2ccccc2)c1
Cc1nc(C)c(s1)-c1csc(Nc2ncccc2C)n1
CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
Cc1nc(N=NCc2ccc3OCOc3c2)sc1C |w:4.3|
Cc1ccnc(Nc2nc(cs2)-c2ccc(F)cc2)c1
OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)[N+]([O-])=O)c1
CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
CCc1ccc2oc(nc2c1)-c1ccc(NC(C)=O)cc1
CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
Cc1cc(ccc1F)-c1csc(Nc2ccccn2)n1
CCSc1nsc(NC(=O)Nc2ccccc2F)n1
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(c1)C(O)=O |w:13.14|
Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
Cc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
Clc1cccc(NC(=O)N2CCc3ccccc3C2)c1
COc1ccccc1N1CCN(CC1)\N=C\c1ccc(cc1)[N+]([O-])=O
Clc1ccccc1NC(=O)Nc1cccc2cccnc12
COc1ccc(cc1OC)C(=O)Nc1ccc2ccccc2c1
Clc1ccc(NC(=O)c2ccco2)cc1Cl
CN(C)c1ccc(CN=Nc2nc(C)c(s2)C(C)=O)cc1 |w:9.9|
CCOc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(O)c(O)c1)C#N |w:11.13|
Brc1cccc(c1)C(=O)Nc1ccc2ncccc2c1
[O-][N+](=O)c1cccc(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1 |w:10.10|
CN1C2ON(C)CC[C@@]2(C)c2cc(O)ccc12
Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
Cc1ccc(C)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
CC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12
OC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
O=c1c2ccccc2oc2ccc(cc12)-c1ccc2[nH]ccc2c1
COc1ccc(cc1)C(=O)ON=C(N)c1ccc(OC)c(OC)c1 |w:11.11|
Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccccc1
Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
Cc1cccc(c1)-c1cc2nc(cc(=O)n2[nH]1)-c1ccccc1
COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(F)cc1
CCOC(=O)c1ccc(nc1C)-c1ccc2CCCc2c1
Cc1cccc(OCc2cc(no2)-c2ccccc2)c1C
CSc1ccccc1-c1nc(no1)-c1ccncc1
c1cn(cn1)-c1ccc(cc1)-c1ccc2ccccc2n1
Clc1ccccc1NC(=O)Nc1ccc2nccnc2c1
Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
CC(=O)Nc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:9.9|
Cc1cccc(Nc2nc(cs2)-c2ccc(F)c(C)c2)n1
Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
COc1cccc(C=C2CCC(C3CCCC3)C2=O)c1 |w:7.6|
Cc1ccccc1-c1nc(no1)-c1ccc(Br)o1
CCOC(=O)\C=C\c1ccc2oc3ccccc3c(=O)c2c1
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
CCOc1cccc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|
COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl
[O-][N+](=O)c1ccc(cc1)N=[NH+]C[c-]1ccccc1=O |w:9.9|
CCN(CC)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
C[N+](=N[N-]c1cccc(c1)[N+]([O-])=O)c1ccccc1 |w:2.2|
Cc1ccc(Nc2nc(cs2)-c2cccnc2)cc1C
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1C(F)(F)F |w:11.12|
COc1ccc(NC(=O)n2ncc3cc(Cl)ccc23)cc1OC
CN(C)c1ccc(CN=Nc2nc3ccccc3o2)cc1 |w:9.9|
N(c1nc(ns1)-c1ccccc1)c1ccccc1
OC(=O)c1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccccc2F)cc1
CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1 |w:6.6|
Brc1ccc(s1)C(=O)Nc1ccc(Br)cn1
COc1ccc(cc1)C(=O)CNc1ccccc1Br
O=C(Cc1nc2ccccc2[nH]1)c1cccs1
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
O=C(CCCc1ccccc1)c1ccccc1
Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
Cc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1
Cc1ccc(NC(=O)c2cccc3cccnc23)cc1
Cc1csc(NC(=O)c2ccc(Br)s2)n1
COc1ccccc1-n1c(O)cc2ccccc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(OC)cc1 |w:6.6|
COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
Oc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12
[O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
COc1ccc(-c2cc(n[nH]2)-c2ccc(C)cc2)c(O)c1
COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(F)cc1
COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:9|
COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cn1
Fc1ccccc1NC(=O)Nc1nc2ccccc2[nH]1
CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1
Cc1ccccc1-n1c(O)cc2ccccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C
O=C(c1ccccc1)c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccco2)c1
Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc2OCOc2c1
Cc1ccc(cc1)S(=O)(=O)NC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1 |w:12.13|
Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc1cccc(c1)C(O)=O
Cc1ccc(cc1Cl)C(=O)Nc1ccc2OCOc2c1
Cc1nn(c(C)c1CCC(=O)Nc1ccc(C)c(F)c1)-c1ccc(nn1)N1CCCCC1
COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1cccc(c1)C(O)=O
CN(C)c1ccc(cc1)\N=N\c1cccc(C)c1
COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
CCOc1ccc2nc(NC(=O)CSc3cnn[nH]3)sc2c1
Clc1ccc(-c2cc(no2)C(=O)N2CCCCCC2)c(Cl)c1
Clc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1
OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc23)c1
COc1cccc2oc3cc(ccc3c(=O)c12)-c1ccc2[nH]ccc2c1
Brc1cccc(\C=C2/SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)c1
CCc1sc(cc1Br)C(=O)Nc1ccc2OCCOc2c1
Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NCCCN2CCOCC2)C1=O
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(O)cc2O)cc1 |w:11.12|
Cc1c(oc2ccccc12)C(=O)Nc1ccc(C)cn1
CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1
OC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1
Cc1c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cccc1C(O)=O
COc1ccc(COC(=O)c2c(C)nn(c2Cl)-c2ccccc2)cc1
CCCCc1ccc(NC(=O)Nc2cccnc2)cc1
COc1ccc(C)cc1NC(=O)Nc1ccc2CCCc2c1
COc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
COc1ccc(cc1)C(N)=NOC(=O)C1CCCCC1 |w:10.11|
Oc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
CCOc1ccccc1NC(=O)Nc1ccc2CCCc2c1
Fc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
COc1cccc(c1)C(=O)OCC(=O)c1ccc(Br)s1
Cc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc12 |t:12|
Cc1ccc(cc1)-c1cc(no1)-c1ccccc1
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
Cc1nc2cc(NC(=O)c3ccc(Br)s3)ccc2s1
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccccc2)c1C
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18|
CC1CCCN(C1)C(=O)c1ccc(o1)-c1ccccc1Cl
Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
CC(=O)Nc1ccc(C(=O)COC(=O)C2CCCCC2)c(F)c1
COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccc(F)cc1
COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCCc1ccccc1
COc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(OC)c1
COc1ccc(C(=O)COC(=O)c2ccccc2O)c(OC)c1
CCc1ccc(cc1)-c1csc(NC(=O)C2=COCCO2)n1 |t:16|
Cc1ccc(s1)C(=O)COC(=O)c1ccc(Cl)c(N)c1
COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl
O=C(OCc1ccccc1C#N)c1ccc2OCCOc2c1
COc1ccc(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
COc1ccc(cc1)-c1cn(CCC(O)=O)c(C)n1
Fc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Cc1cc(no1)-n1c(C)cc(C(=O)COc2ccc(F)c(F)c2)c1C
[O-][N+](=O)c1ccc(s1)C(=O)OCc1nnc(o1)-c1ccccc1
COc1cc(Cl)c(NC2=CC(=O)C(=O)c3ccccc23)c(OC)c1 |t:8|
Clc1cccc(c1)-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1
COc1ccc(cc1)-c1cc2ccc(OC)cc2cn1
COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1
C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
Fc1ccc2cnc(cc2c1)-c1ccccc1F
Fc1ccc2cnc(cc2c1)C1=CCCCC1 |t:13|
COc1ccc(cc1)-c1cc2cc3OCOc3cc2cn1
C1Oc2cc3cnc(cc3cc2O1)-c1ccsc1
COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1
CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ccc(s1)[N+]([O-])=O |c:11|
COc1cc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc(OC)c1OC
CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
Clc1ccccc1C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NNC(=O)c1ccccc1
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1ccc[nH]1
COc1ccc(C=CC(=O)OCC(=O)c2ccccc2F)cc1 |w:6.5|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
COc1ccc(cc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
OC(=O)CN(NC(=O)c1ccc(CNC(=O)c2cccc(c2)C(O)=O)cc1)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r|
OC(=O)c1cccc(c1)C(=O)NCc1ccc(cc1)C(=O)NNC(=O)[C@H]1O[C@@H]1C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r|
NC(=O)CNC(=O)c1ccc(cc1)C(=O)NNC(=O)[C@H]1O[C@@H]1C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r|
NC(=O)[C@H](CC(O)=O)NC(=O)c1ccc(cc1)C(=O)NNC(=O)[C@H]1O[C@@H]1C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r|
OC(=O)c1cccc(c1)C(=O)NCc1ccc(cc1)C(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12
C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r|
C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])c(c1)N(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c2ccccc2cc2ccccc12 |r|
COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(25.46,-.06,;26.8,-.83,;28.13,-.06,;28.13,1.48,;26.79,2.25,;29.46,2.25,;29.46,3.79,;30.79,1.49,;32.13,2.25,;33.46,1.48,;33.46,-.05,;32.14,-.83,;30.79,-.06,;29.47,-.83,;29.47,-2.37,;34.79,2.25,;36.13,1.48,;37.47,2.26,;38.8,1.49,;40.13,2.26,;38.81,-.05,;37.46,3.79,;38.79,4.57,;36.13,4.55,;34.79,3.79,;33.46,4.56,;36.13,6.09,;37.46,6.86,;37.46,8.42,;36.12,9.19,;36.12,10.73,;37.45,11.5,;34.8,8.42,;33.46,9.18,;33.46,10.72,;34.79,6.86,;33.46,6.09,)|
CC(C)C[C@H](NC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r|