739 SMILES Strings for M1 family aminopeptidase

Compound Name
SMILES String
CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N
COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1
COc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2OC)CC1
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1
CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2ncccc2c1
CS(=O)(=O)N1CCC(CC1)C(=O)c1cccc(Cl)c1
Fc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc3OCOc3c2)c1
CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
CCOc1cc(cc(Cl)c1O)C1C2C(=O)CCCC2=NC2=C1C(=O)CCC2 |c:20,22|
Cc1ccsc1C(N(C1CC1)C(=O)c1csnn1)C(=O)NC1CCCCC1
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1
Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Fc1ccccc1CNC(=O)CN1CCC(CC1)NC(=O)c1ccccc1
O=C(NCc1ccccc1)N1CCC(CC1)NC(=O)c1ccco1
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CS(=O)CC(=O)Nc1ccc2OCOc2c1
CC(=O)Nc1ccc2nc([nH]c2c1)-c1ccccn1
Fc1ccc2n(nnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)CCC2CCCC2)cc1
[H]C12CC([H])(C=C1)C(C2C(=O)NCc1ccccn1)C(=O)Nc1cc(OC)ccc1OC |c:5,TLB:9:8:2:6.5,THB:19:7:2:6.5|
O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)C1CCC1
Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
O=C(CN1c2ccccc2C(=O)N2CCCCC2C1=O)N1CCCc2ccccc12
COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
CCC(C)(C)NC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1ccccn1
CS(=O)(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
CCCCOc1ccc(cc1)CC(=O)NO
CCCCc1nc(NCCNC(=O)c2ccco2)c(C#N)c2CC(C)(C)SCc12
Oc1ccc(Cl)cc1NC=C1C(=O)CC(CC1=O)c1ccco1 |(3.91,-3.81,;5.24,-4.58,;5.24,-6.12,;6.57,-6.89,;7.91,-6.12,;9.24,-6.89,;7.91,-4.58,;6.57,-3.81,;6.57,-2.27,;7.91,-1.5,;7.91,.04,;6.57,.81,;5.24,.04,;6.57,2.35,;7.91,3.12,;9.24,2.35,;9.24,.81,;10.58,.04,;8.68,4.45,;8.05,5.86,;9.2,6.89,;10.53,6.12,;10.21,4.61,)|
Clc1ccc2[nH]c(=O)c(CN3CCOCC3)c(-c3ccccc3)c2c1
CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
CCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCCOC)c1=N
Oc1c(Cl)cc2c3CCCc3c(=O)oc2c1CN1CCOCC1
Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
Oc1c(Cl)cc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
CN(C)c1oc(nc1C#N)-c1cccs1
Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
CN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
Cc1ccc(cc1CNC(=O)c1ccco1)-c1nn(C)c(=O)c2ccccc12
CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
Cc1c(O)c(CN2CCCCC2)cc2c3CCCc3c(=O)oc12
CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
COc1ccccc1C1CC(=Nc2nc(nn12)-n1c(O)ccc1O)c1ccc(Cl)cc1 |c:11|
CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
CC1CCCN(Cc2c(O)c(Cl)cc3c(C)c(C)c(=O)oc23)C1
CCCC(C)C1(CC)C(=O)NC(Nc2ccccc2OC)=NC1=O |c:21|
CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12
CCCCCCC(=O)N(O)c1cc(O)n(c1O)-c1ccccc1
CC(C)OCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
Cc1c(O)c(CN2CCCC2)cc2c3CCCc3c(=O)oc12
CCCCc1cc(=O)oc2cc(C)cc(OCc3nnn[nH]3)c12
Cc1cc(OCc2nnn[nH]2)c2c3CCCCc3c(=O)oc2c1
CC(O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O
OC(=O)C1CCC(CNC(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1 |(3.08,-6.86,;4.41,-6.09,;5.75,-6.86,;4.41,-4.55,;3.08,-3.78,;3.08,-2.24,;4.41,-1.47,;4.41,.07,;5.75,.84,;5.75,2.38,;4.41,3.15,;7.08,3.15,;7.08,4.69,;5.75,5.46,;5.75,7,;4.41,7.77,;7.08,7.77,;8.41,7,;9.79,7.82,;11.19,7.03,;12.52,7.8,;11.19,5.42,;9.79,4.63,;8.41,5.46,;5.75,-2.24,;5.75,-3.78,)|
CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O
Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
CCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12
O=C(NCCN1CCOCC1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1
COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1
O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C#N)c1nc2ccccc2[nH]1
Oc1ccc(C=c2sc(=C(C#N)c3nnc4CCCCCn34)n(CC=C)c2=O)cc1
CSc1ncc(Cl)c(n1)C(=O)C(C#N)c1nc2c(C)cc(C)cc2c(=O)[nH]1
O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
COC(=O)CN1C(=O)C2(C(C#N)C(=N)Oc3[nH]nc(-c4cccs4)c23)c2ccccc12
Clc1ccc(cc1)-n1c(SCC(=O)NCC2CCCO2)nc2CCSc2c1=O
CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
O=C(NCc1ccco1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
ONC(=O)Cc1ccsc1-c1ccccc1
OC(=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)sc1nc(cn21)-c1ccccc1
Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCc1ccccc1
O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)NCc1ccco1
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1CCCO1
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)no1
O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1
CC(=O)Nc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
O=C(Nc1cccs1)Nc1ccccn1
O=C(NCc1cccs1)C1CCN(CC1)S(=O)(=O)c1cccs1
COc1ccccc1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(Br)cc2)cc1
Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
COc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1
O=C1CCCc2nc(SCc3ccccc3)c(cc12)C#N
COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)CS(=O)(=O)Cc1ccccc1
CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C(C)C)c1=N
COc1ccc(OC)c(c1)C1C2C(=O)CCCC2=NC(C)=C1C(=O)Nc1cccnc1 |c:19,22|
CN(C)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12
OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O
COC(=O)c1ccc(O)c(Sc2cc(ccc2O)C(=O)OC)c1
CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1
CCOC(=O)c1nc[nH]c1C(=O)Nc1ccncc1
CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
Cc1nnc(SCC(=O)N2CCC(CC2)c2noc3ccc(F)cc23)s1
Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCC1
O=C(NCc1ccc2OCOc2c1)C1CCCN(C1)S(=O)(=O)c1cccnc1
O=C(NCc1ccccc1)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
Brc1ccc2[nH]c(=O)c(CN3CCOCC3)c(-c3ccccc3)c2c1
O=C(N(C1CCCCC1)C1CCCCC1)c1cnc2SCCn2c1=O
OC(=O)c1c(NC(=O)c2cccs2)scc1-c1cccs1
[#6]-c1ccc(-[#8])c(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CC=C)c1=N
Brc1ccc2[nH]c(=O)c(NC(=O)CCN3CCOCC3)c(-c3ccccc3)c2c1
Cc1cc(ccc1OCCCC(=O)NO)Cl
CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
Cc1cc(=O)oc2cc3NCCOc3cc12
CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
[H][C@@]12Cc3ccc(Oc4c(O)c(OC)cc5CCN(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3
CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O
CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)[nH]2)sc2CCCCc12
COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13|
COc1cc(\C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(C2C(=O)CC(C)(C)CC2=O)C(=O)c2ccccc12 |w:10.10,t:13|
OC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1
O=Cc1cn(CC(=O)N2CCCc3ccccc23)c2ccccc12
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccco1
Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCCCC1
O=c1nc(nc(Nc2ccccc2)[nH]1)N1CCCCC1
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3OCOc3c2)cc1
CCCOc1ccc(cc1CSc1nc(O)cc(=O)[nH]1)C(C)=O
O=C(Cn1c(SCc2ccccc2)nc2ccccc12)N1CCOCC1
CC(N1C(=O)c2ccccc2C1=O)c1nc2ccccc2o1
Cc1nn(c(Cl)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:7.7,c:12|
[H]C12CC([H])(C=C1)C(C2C(=O)NCc1ccco1)C(=O)Nc1ccc(OC)cc1OC |c:5,TLB:9:8:2:6.5,THB:18:7:2:6.5|
Clc1ccc(CN=Nc2nnn[nH]2)cc1 |w:7.7|
Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2oc(cc(=O)c12)-c1ccccc1Cl
CCCSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1
Cc1ccc(cc1)C(=O)Nc1nc(=O)n(s1)C(=O)c1ccccc1Cl
CCSc1ncc(Cl)c(n1)C(=O)Nc1nnc(SCC=C)s1
OC(=O)CSc1nc(nc2c3ccccc3oc12)-c1ccc(Cl)cc1
CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccc(C)cc1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3C3CCCCC3)cc2)c1C
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(C)n1
Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O
CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C
CCOP(=O)(OCC)c1nc(\C=C\c2ccccc2)oc1NCc1ccc(OC)cc1
CC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3NC(=O)c4cccc1c34)c1ccccc21
CC(C)CN(CC(C)C)Cc1c(O)ccc2c(C)cc(=O)oc12
Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
Cc1ccc(NC(=O)Nc2cccs2)nc1
CCN(CC)C(=O)Cn1c2sc3CCCc3c2c(=O)n(-c2ccccc2)c1=O
COc1ccc(\C=C2\SC(=O)N(NS(=O)(=O)c3ccccc3)C2=S)cc1OC
Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:22|
CCOc1ccc(cc1)-n1c2nc(SCC(=O)N3CCC(C)CC3)[nH]c(=O)c2sc1=S
Cc1ccc(C)c(CSc2ncccc2C(O)=O)c1
CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
COc1cc(\C=C2\SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|
CN(C)Cc1c(O)c(Cl)cc2c3CCCCc3c(=O)oc12
CN(C)Cc1c(O)ccc2c3CCCCCc3c(=O)oc12
Brc1ccc(o1)C(=O)Nc1c(c2nc3ccccc3nc2n1CC=C)S(=O)(=O)c1ccccc1
COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCC(C)C3)c2oc1=O
COc1cccc(C2CC(=NN2S(C)(=O)=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1OC |c:9|
CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
CC(C)Oc1ccc(cc1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
COc1cc(Br)c(cc1OC)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1cccnc1
Cc1cc(nn1C)C(=O)NNC(=S)NCc1ccco1
Oc1c(C=NNC(=O)Cn2nc3ccccc3n2)cc(Cl)cc1[N+]([O-])=O |w:4.4|
Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]1
CC1=CC(N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1)c1ccc(Cl)cc1 |c:18,21,t:1|
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)NC1=NCCS1 |t:21|
CCCOc1ccc(cc1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
OP(=O)(c1nccn1-c1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccccc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCCC(c1ccccc1)c1ccccc1
CSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c(=O)[nH]1 |w:12.12|
Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\[NH+]=C\c1cc(Br)cc(OC)c1[O-]
CCOC(=O)c1c2CCCCCc2sc1N1N(O)c2cc(Cl)c(Cl)cc2NC1=O
Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
CS(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:8|
CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
O=C(NC1CCCCC1)NC1CCN(CC1)C(=S)NCc1ccco1
Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5F)nc4O3)c2c1
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)NCc1ccco1
O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1
Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1ccco1 |t:12|
Fc1ccccc1S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1
[O-][N+](=O)c1ccc(cc1)N1CC[C+](CC1)[N-]OC(=O)c1ccccc1
[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2c(-[#6])cccc12
Clc1ccsc1-c1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
Sc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
[#6]-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2c(-[#6])cccc12
Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O
OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:12|
CCOc1cc(\C=C2/N=C(SC)SC2=O)cc(c1OC(C)=O)[N+]([O-])=O |t:8|
Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(O)c1
Fc1ccc(N2N=C(CC2c2ccco2)c2cccs2)c(F)c1 |c:6|
COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
CCOc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
Oc1c(Br)cc(Br)cc1C=NNC(=O)CP(=O)(c1ccccc1)c1ccccc1 |w:10.11|
[O-][N+](=O)c1ccc[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O
COc1ccc(C=O)cc1OCCOc1ccc(\C=C\C)cc1OC
OC(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N(c1ccccc1)c1ccccc1
NC(CC(O)=O)c1ccc(Br)cc1
COc1c[c-](C=[NH+]NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+]([O-])=O)c1=O |w:6.6|
Oc1ccc(Br)cc1C=NNC(=O)CN1CC(CC1=O)c1ccccc1 |w:9.10|
COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1 |w:8.8|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)s1 |w:21.21|
Cc1cccc(c1)C1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c13)c1ccccc1C2=O |c:9|
O=C(NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O)c1ccncc1 |w:4.3|
Nc1ccc(cc1)-c1nc2ccc(cc2s1)C(O)=O
OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
COc1cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(Br)cc1O
NC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Oc1nc(C=Cc2ccccc2OCC(=O)Nc2ccccc2)[nH]c(=O)c1[N+]([O-])=O |w:5.5|
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(ccc1O)[N+]([O-])=O
COc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)C(O)=O)cc1 |w:6.5|
Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O |c:22,28|
COc1ccc(C=NNC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 |w:7.7|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1nnc2ccccc2c1=O
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc4c(n3)[nH]c3ccccc43)cc2)c1C
[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
CCc1nnc(NC(=O)CSc2nnc(o2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1ccco1 |t:13|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)s1
COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+]([O-])=O)c1=O |w:6.6|
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)nc(OC)n1
Cc1ccc(cc1)S(=O)(=O)CCSc1cccc(c1)C(=O)Nc1ccccc1C(O)=O
COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+]([O-])=O)c1=O |w:6.6|
Cc1c(C(c2ccccc2Cl)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C
Fc1ccc(CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:5.4,c:9|
O=C(NN1C(Nc2ccccc2C1=O)c1ccccn1)c1ccccc1
CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12 |t:6,9|
Cc1ncc(C=O)c(CNNC(=O)c2ccc(Br)cc2)c1O
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12 |t:4,7|
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12 |t:4,7|
COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 |w:5.4,c:9|
Cc1ccc(cc1)S(=O)(=O)N(N=C1NS(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |w:11.11|
Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccncc1 |w:9.10|
CC1(C)OC2OC(C3OC(C)(C)OC3C2O1)C(=O)NN=Cc1cc(Br)ccc1O |w:19.21|
Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccco1 |t:13|
CC(=O)NS(=O)(=O)c1ccc(cc1)\N=c1/ssc2c1-c1ccc(C)cc1NC2(C)C
Cc1ccccc1C1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c13)c1ccccc1C2=O |c:9|
COCc1cc(C)n(CC(=O)NN=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)c(=O)c1C#N
O=C(Nn1c(nc2ccccc2c1=O)-c1ccccc1)c1cccs1
Oc1ccc(Br)cc1C=NNC(=O)C(N1CCOCC1)c1ccncc1 |w:9.10|
Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3cccs3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Cc1cccc(c1)-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12
CN(C)c1oc(\C=C\c2ccccc2)nc1C#N
OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
Cc1c(N2C(C(C(=O)c3ccc(Cl)cc3)C(=O)C2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(F)c1)c1ccccc1 |c:12|
Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c1
Cc1ccc(NC(=S)NNc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1C
Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(C)cn1
Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1Cl |w:9.10|
CCN1C(=S)NC(=O)C(=CNNC(=O)c2ccncc2)C1=O |w:9.9|
CNC(=S)NNC1=c2ccccc2=NC1=O |c:6,13|
COc1ccc(cc1CSc1nc2cc(ccc2c(=O)n1Cc1ccccc1)C(O)=O)C(C)=O
COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCC1
CCOC(=O)N1CCN(CC1)C(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1
CN1\C(S\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C1=O)=N/c1ccc(Cl)c(c1)C(O)=O
Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:11.11|
Cc1ccc(cc1)C(=O)c1coc2cc(c(O)c([N+]([O-])=O)c12)[N+]([O-])=O
NC(=O)NN=Cc1cc(Br)ccc1O |w:4.3|
O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1
CNc1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1
Cc1cc(=O)[nH]c(N=NCc2c(O)n(-c3ccccc3)c(=O)c3ccccc23)n1 |w:8.8|
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
[O-][N+](=O)c1cccc(\C=C\C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c1
COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)n1N
CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Oc1ccc(cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)S(=O)(=O)N1CCCCC1
Cc1ccc(cc1)-c1cc(-c2nnc(S)o2)c2ccccc2n1
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Cc1ccccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12
COc1ccc(NC(=O)CSc2nc3nc(cc(c3c(=O)[nH]2)C(F)(F)F)-c2cccs2)c(OC)c1
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1
COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)OC(C)C(=O)N2CCCC2)cc1Cl
COc1ccc(cc1OC)-c1n[nH]c2OC(=N)C(C#N)C3(C(=O)N(CC(O)=O)c4ccccc34)c12
COc1ccccc1N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Oc1ccc(Br)cc1C=NNC(=O)c1cccc(c1)N1CCCC1=O |w:9.10|
Clc1cccc(NN=C2C(=O)Nn3c2nc2CCCc2c3=O)c1
OCCCC(=O)NN=Cc1cc(Br)ccc1O |w:7.6|
[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OC)-c1ccc(cc1)C(C)(C)C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
CCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccco1
Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccccc1 |w:9.10|
CCC1=NN2C(S1)=NC(=O)\C(=C/c1c(C)nn(c1Cl)-c1ccccc1)C2=N |c:7,t:2|
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cccc(Cl)c1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
OC(=O)COc1ccc(C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1
Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N=Cc1ccc(OCC(O)=O)cc1
CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(OCC(O)=O)c(OC)c1 |w:11.12,20.22|
CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,20.22|
Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccc(Br)o1 |t:12|
COc1cccc(\C=C(\C#N)c2ccc(F)cc2)c1OCc1cccc(c1)C(O)=O
CCOC(=O)COc1ccc(Br)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+]([O-])=O |w:14.14|
Nc1ccc(cc1)-c1nc2ccc(N)cc2s1
Cc1cc(cnc1N)-c1ccc(s1)C(O)=O
O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O |c:26|
COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O
[#6]-c1cccc2c(-[#6])nc(\[#7]=[#6](\[#7])-[#7])nc12
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12
O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)c2ccccc2)=NC1=O |c:25|
Nc1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
Nc1nonc1C(=O)NN=Cc1cc(Br)ccc1O |w:9.9|
[#6]-c1cn2c(-[#7])c(\[#6]=[#6]-3/[#6]=[#6](Cl)-[#6](=O)-[#6](Cl)=[#6]-3)c(=O)nc2s1 |c:15,t:9|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1 |w:20.19|
COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(c1O)[N+]([O-])=O
COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1csc(C)n1
Cc1ccc(c(C)c1)S(=O)(=O)NN=C1NS(=O)(=O)c2ccccc12 |w:12.12|
Cc1c(N2C(C(C(=O)c3ccc(Br)cc3)C(=O)C2=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
O=C(NN1C(Nc2ccccc2C1=O)c1ccco1)c1ccccc1
C\C(Cl)=C/CN1C(=O)C(=NNC(N)=S)c2ccccc12 |w:9.9|
Cc1nc(N)nc(N)c1\C=C\C(C)(C)c1ccc(Cl)cc1
[O-][N+](=O)c1cccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)c1 |w:9.8|
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C(=O)NN=Cc1ccccc1
Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
COc1ccc(cc1)C(=O)NNC(=O)CSc1nnc(-c2ccc(O)cc2)n1C
CCOC(=O)NN1C(=O)c2ccccc2NC11CCCC1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
COc1ccc(OC)c(c1)C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(O)c2ccccc2oc1=O
Cc1ccc(cc1)-c1csc2ncnc(SCc3ccc(cc3)C(O)=O)c12
O=C(NN1C(Nc2ccccc2C1=O)c1ccoc1)c1ccccc1
O=C(NN1C(=O)c2ccccc2NC11CCCCC1)c1ccccc1
CCn1c(C)cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)c1C
O=C(CSc1nnc2c(n1)[nH]c1ccccc21)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C)cc2)cc1
Oc1ccc(Cl)cc1C=NNC(=O)c1ccccc1Br |w:9.10|
OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
CN1C(=O)S\C(=C\c2cccn2-c2cccc(c2)C(O)=O)C1=O
OC(=O)c1cccc(c1)N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)N4CCCc5ccccc45)nnc3c2c1
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)Cc2ccc(F)cc2)o1
OC(=O)Cc1sc(N[N-][CH+]c2ccc(o2)-c2ccc(Cl)c(c2)[N+]([O-])=O)nc1O
OCCN(CCO)CCCNc1cccc2C(=O)c3ccccc3C(=O)c12
CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
CC(=O)N1C(=O)C(=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c2ccccc12 |w:6.26|
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Oc1ccc(cc1[NH+]=N[c-]1c(=O)[nH]c(=O)[nH]c1=O)[N+]([O-])=O |w:7.7|
CC(NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1)c1ccccc1
OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:16.17|
O=C1N(CCCc2n[nH]c(=S)n2-c2ccccc2)C(=O)c2cccc3cccc1c23
CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
CC1(C)Cc2oc3ccc(NS(=O)(=O)c4ccc(cc4)C(O)=O)cc3c2C(=O)C1
OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1
NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
CC(CCc1sccc1N=Nc1c(O)ccc2ccccc12)CC(O)=O |w:9.9|
OC(=O)CCCc1sccc1N=Nc1c(O)ccc2ccccc12 |w:11.11|
Nc1nc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
Cc1nnc(=O)[nH]c1N=NCc1cccs1 |w:8.8|
Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CS(=O)CC(=O)Nc1ccc2OCOc2c1
N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)no1
Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
OC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nc3ccccc3s2)c1
Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1
CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2)cc1
[H]C12C=CC([H])(C3CC13)C1C2C(=O)N(N=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O |c:2,TLB:31:9:6.8:3.2,7:8:9.10:3.2,THB:11:10:6.8:3.2,7:6:9.10:3.2|
CCOc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 |c:24,t:15|
CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:8.8|
CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(CN=Nc2nc(O)c(CC(O)=O)s2)c1 |w:21.22|
COc1cc(\C=C2/SC(=NC2=O)c2ccccc2)cc(Cl)c1O |c:8|
CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccccc2)C=CC1=O |c:27,t:3|
CCOC(=O)C1C(=O)C(SC1=Nc1ccc(C)cc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,19.21|
Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccccc1 |t:12|
CCCCN(CCCC)Cc1c(O)ccc2c3CCCc3c(=O)oc12
O=C(Oc1c(oc2ccccc2c1=O)-c1ccco1)c1cccnc1
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=S)Nc2ccccc2)o1 |w:15.16|
CC(NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1CC=C)c1ccccc1
COC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
COc1c[c-](\C=C(/C#N)c2[nH]c3cc(C)ccc3[nH+]2)cc([N+]([O-])=O)c1=O
CCOC(=O)C1C(=O)C(SC1=Nc1ccccc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,18.20|
COC(=O)Cc1cc(=O)oc2cc(O)ccc12
CCOc1c[c-](\C=[NH+]\NC(=O)c2cccs2)cc([N+]([O-])=O)c1=O
CCOc1cc(cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1O)[N+]([O-])=O
COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c(C)s2)-c2ccccc2)[nH]c(=O)c1C#N
Fc1ccc(CNC(=O)CCC2CCCN(C2)C(=O)c2ccc3cc[nH]c3c2)cc1F
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O |w:13.14|
Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O |w:19.21|
Cc1cccc(NC(=O)N(CC2COCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)c1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)s1
COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)cc1C(O)=O
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccccc1C(O)=O
OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:11|
COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)NCc1ccc2OCOc2c1
CC1(C)CC(=O)C2=C(C1)c1c(NC2c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)ccc2ccccc12 |c:6|
COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
CC(C)CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN
CCOC(=O)C(C=NC(N)=Nc1nc2ccccc2o1)C(=O)OCC |w:10.10,7.7|
CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1
CN1CCN(CC2=c3oc(=O)c(cc3C=CC2=O)=C2C=CCC=N2)CC1 |w:18.25,c:6,15,21,24|
COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
Oc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c([O-])c3ccccc3oc2=[OH+])c(=O)oc2ccccc12
COC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccc(C)cc2)C=CC1=O |c:27,t:2|
OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1
Cc1oc2cc(c(O)c([N+]([O-])=O)c2c1C(=O)c1ccc(Br)cc1)[N+]([O-])=O
OC(=O)c1ccccc1-c1ccc(\C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)o1
OC(=O)c1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1
OC(=O)COc1ccccc1C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(c1)-c1nc2ccccc2o1
COc1ccc(C=C2SC(S)=NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 |w:6.5,c:10|
Cc1ccc(cc1)C(=O)NC1CCN(CC(=O)Nc2cccc(c2)[N+]([O-])=O)CC1
Fc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
[O-][N+](=O)c1c(C=Cc2ccccc2OCC(=O)Nc2ccccc2)[nH]c(=O)[nH]c1=O |w:6.6|
Cc1ccc(cc1C)-n1nnnc1SCC(=O)NC(C(O)=O)(c1ccccc1)c1ccccc1
CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1
Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2cccs2)CC1
[H]C12CC([H])(C=C1)C(C2C(=O)NCc1cccnc1)C(=O)Nc1cc(OC)ccc1OC |c:5,TLB:9:8:2:6.5,THB:19:7:2:6.5|
O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)c1cccs1
OC(=O)Cn1cc(\C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c2ccccc12
CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
Cc1ccc(S\C([C-](Cl)Cl)=C(/c2[nH]c3ccccc3[nH+]2)[N+]([O-])=O)cc1
Fc1cccc(CNC(=O)C2CCN(CC2)C(=O)c2sccc2-n2cccc2)c1
CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(SCc3ccco3)o1)C2=N |w:14.15,c:10,t:5|
CCCN(CCC)C(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1
CCOP(=O)(OCC)c1nc(oc1N1CCCCC1)-c1cccc(c1)[N+]([O-])=O
CCc1ccc2oc(c\c(=[NH+]/c3cccc(c3)C(O)=O)c2c1)-c1ccc(OC)cc1
Oc1ccccc1N=Nc1ccccc1O |w:7.7|
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)cc1
CCOC(=O)N1CCN(CC1)c1c(NCc2ccccc2Cl)c(=O)c1=O
OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccccc2[N+]([O-])=O)C(Cl)(Cl)Cl)c1
CCCCN(CC)C(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1
OC(=O)C(Cc1ccccc1)N=Cc1c(O)c2ccccc2oc1=O |w:11.11|
O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCC=C)c(OC)c1)C2=N |w:14.15,c:10,t:5|
CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
CC(C)CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:18|
CCc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
CC(C)N1C(=O)S\C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
Cc1cccc(C)c1-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19,(3.08,.16,;4.22,1.19,;3.9,2.7,;5.05,3.73,;6.51,3.25,;6.83,1.75,;8.3,1.27,;5.69,.72,;6.01,-.79,;4.98,-1.94,;5.75,-3.27,;7.26,-2.95,;7.42,-1.42,;8.75,-.65,;10.08,-1.42,;10.08,-2.96,;8.75,-3.73,;11.42,-3.73,;12.75,-2.96,;14.21,-3.43,;15.11,-2.19,;14.21,-.95,;12.75,-1.42,;11.42,-.65,;11.42,.89,;14.69,.52,;15.17,1.98,;16.15,.04,;13.22,.99,)|
Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccccc1Br |w:9.10|
O=C(COc1ccccc1\C=C1/SC(=O)NC1=O)Nc1ccccc1
Cc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1
OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1O
Clc1ccccc1CN=CC1Sc2ccccc2NC1=O |w:8.8|
CC(N=Nc1nc(cs1)C(O)=O)c1ccccc1 |w:2.1|
CCCn1c(nc2cc(C)c(C)cc12)-c1ccc[nH]c1=O
CCC(C)(C)NC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1nccs1
Fc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)NCc1ccco1
Nc1nonc1C(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12
Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccccc3C(O)=O)c12
Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1
Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1
Nc1cccc2[nH]c(nc12)C(F)(F)F
[#6]-[#6]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2ccccc12
Oc1ccc(Cl)cc1N=CC(C1OC(=O)c2ccccc12)[N+]([O-])=O |w:8.8|
Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(C)c(C)c1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(o1)-c1cccc(c1)C(O)=O
OC(=O)c1ccccc1C=NNC(=O)c1cc(n[nH]1)-c1ccc2CCc3cccc1c23 |w:10.11|
NNC(=O)Cn1c(nc2ccccc12)-c1nonc1N
[O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1 |w:9.9|
CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)S(=O)(=O)CC)C=CC1=O |c:25,t:3|
Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1cccc(O)c1)c1ccc(cc1)C(O)=O
OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 |w:12.11|
Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccccc1)c1ccc(cc1)C(O)=O
Cc1cc(C)n(CC(=O)NN=Cc2cc(Br)cc(c2O)[N+]([O-])=O)n1 |w:10.9|
Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(o1)-c1ccccc1C(O)=O
Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1Cl
COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
COc1cc(OC)c(NC(=O)c2ccc3c(SCC(O)=O)c4CCCCc4nc3c2)cc1Cl
COc1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)cc([N+]([O-])=O)c1=O
[O-][N+](=O)c1ncn(CC(=O)N\[NH+]=C\[c-]2cc(Cl)ccc2=O)n1
Cc1ccc(C)c(c1)N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Brc1ccc2NC(=O)\C(=C3/SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)c2c1
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |t:1|
OC(=O)c1ccc(cc1)-c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)o1 |w:13.13|
CC(=O)NNC(=O)c1sc(=S)n2c1[nH]c(=O)c1sccc21
CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:17|
CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:16|
[O-][N+](=O)c1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)ccc1=O
O=C(NCC1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)NCc1ccccc1
CC(=O)c1ccc(s1)-c1cccs1
Clc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1
Fc1ccc(NC(=O)COc2ccccc2\C=C2/SC(=O)NC2=O)cc1
CCOC(=O)c1cc(nc2[nH]c(=O)[nH]c(=O)c12)-c1cccc(c1)[N+]([O-])=O
Nc1c(cnc2c(cnn12)-c1ccc(Cl)cc1)C(O)=O
Oc1ccc(Cl)cc1N=Cc1c[nH][nH]c1=O |w:8.8|
Oc1c(C=NNC(=O)c2cccnc2)c2ccccc2c(=O)n1-c1ccccc1Cl |w:4.4,(5.75,1.93,;7.08,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;7.08,-1.93,;5.75,-2.7,;4.41,-1.93,;5.75,-4.24,;4.41,-5,;4.41,-6.54,;5.75,-7.32,;7.08,-6.54,;7.08,-5,;9.75,2.7,;11.13,1.87,;12.52,2.66,;12.52,4.27,;11.13,5.06,;9.75,4.24,;8.41,5,;8.41,6.54,;7.08,4.24,;5.75,5,;4.41,4.24,;3.08,5,;3.08,6.54,;4.41,7.32,;5.75,6.54,;7.08,7.32,)|
CC(NC(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1
CCC1CCCCN1C(=S)NC(=O)c1cccs1
CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)CC1
COc1ccc(cc1)-c1c\c(=N/CCC(O)=O)c2cc(C)ccc2o1
COc1ccc(cc1)-c1c\c(=[NH+]/CCCCCC(O)=O)c2cc(C)ccc2o1
O=C(NN=C(Cc1ncc[nH]1)c1ccccc1)c1ccncc1 |w:3.2|
Cc1nnc(NC(=O)c2ccc3ccccc3n2)s1
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Cc1ccc(o1)C(=O)Nc1scc(c1C(O)=O)-c1ccccc1
CCN(CC)c1ccc(cc1NC(=O)c1cccnc1)S(=O)(=O)N(CC)CC
Cc1ccc(c(C)c1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14,(4.41,6.16,;5.75,5.39,;5.75,3.85,;7.08,3.08,;8.41,3.85,;8.41,5.39,;9.75,6.16,;7.08,6.16,;9.75,3.08,;9.75,1.54,;8.41,.77,;11.08,.77,;11.08,-.77,;9.75,-1.54,;9.75,-3.08,;11.08,-3.85,;11.08,-5.39,;9.75,-6.16,;8.41,-5.39,;8.41,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;4.41,-3.08,;5.75,-3.85,;5.75,-5.39,;12.42,1.54,;13.79,.72,;15.19,1.51,;15.19,3.11,;13.79,3.9,;12.42,3.08,;11.08,3.85,;11.08,5.39,)|
OC(=O)C\C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1
Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14|
CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
CNC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C
OC(=O)c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(Br)ccc1Br |c:8,17|
CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
COc1cc(C=Nn2c(O)csc2=S)cc(Br)c1O |w:6.6|
CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccccc1
Cc1[nH]c2ccccc2c1\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O
COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)Nc1ccc2nc(SC)sc2c1
CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
OC(=O)COc1ccccc1CN=Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(Cl)cc1 |w:13.14|
CC1(NC(=O)N(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(OC(F)F)cc1
OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1O)[N+]([O-])=O
OC(=O)C(=C/c1ccc(o1)-c1ccc(F)cc1)\c1ccccc1
COc1ccc(\C=C2/SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1 |c:19|
Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
COc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3ccccc23)c1C(O)=O
COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3o2)cc1
COC(=O)c1ccc(COc2ccccc2CN=Nc2cccc(c2)C(O)=O)cc1 |w:18.19|
Clc1cc(CN2CCOCC2)c(OC(=O)c2cccs2)c2ncccc12
CCOc1ccccc1Nc1nnc(SCC(=O)NC(Cc2c[nH]c3ccccc23)C(O)=O)s1
Clc1nc2cc3OCCOc3cc2nc1NS(=O)(=O)c1ccccc1
CCOc1ccc(cc1)-n1c(O)c(CN=Nc2nnc(C)c(=O)[nH]2)c2ccccc2c1=O |w:14.14|
OC(=O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O
CCN1C(=O)\C(=N/NC(=O)c2cccs2)c2ccccc12
FC(F)(F)c1cc(nc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c12)-c1cccs1
NC(=O)c1ccc(Oc2ccc3ccc(=O)oc3c2)c(c1)[N+]([O-])=O
COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O
Oc1ccc(cc1C(=O)OCC(=O)Nc1nc2ccccc2s1)S(=O)(=O)Nc1ccccc1Cl
O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1
Oc1ccc(O)n1-c1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:11|
Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
[O-][N+](=O)c1cc2OCOc2cc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O |w:12.13|
CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccccc2O)C1=O
CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O
COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC
CCOc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC
Cc1ccccc1-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:12.13,(8.41,-4.71,;9.75,-5.48,;9.75,-7.02,;11.08,-7.79,;12.42,-7.02,;12.42,-5.48,;11.08,-4.71,;11.08,-3.17,;9.75,-2.4,;8.41,-3.17,;9.75,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;5.75,4.53,;4.41,3.76,;3.08,4.53,;3.08,6.07,;4.41,6.84,;5.75,6.07,;7.08,6.84,;11.08,-.09,;11.08,1.45,;12.42,-.86,;12.42,-2.4,;13.75,-3.17,)|
O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N1c2ccccc2Sc2ccccc12
CC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O |c:4|
CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8|
COc1ccc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c(OC)c1
CCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccco1
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
CCCCN(CC)Cc1c(O)ccc2c3CCCc3c(=O)oc12
CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:14.30|
CCOC(=O)CC1N(CCNC1=O)c1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
CCCN1C(=S)S\C(=C/c2c(nc3c(C)cccn3c2=O)N2CCNC(=O)C2CC(=O)OC)C1=O
CCOC(=O)CC1N(CCNC1=O)c1nc2ccc(C)cn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
CCCN1C(=S)S\C(=C/c2c(nc3c(C)cccn3c2=O)N2CCNC(=O)C2CC(=O)OCC)C1=O
Cc1cc(C)n2nc(nc2n1)C(=O)NNC(=O)c1ccc(Cl)cc1
CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O
OC(=O)C(N1C(=S)S\C(=C/c2cccs2)C1=O)c1ccccc1
COc1ccccc1\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O
COc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c(C(O)=O)c1OC
Oc1ccc(Br)cc1C=NNC(=O)c1ccncc1 |w:9.10|
OC(=O)c1ccccc1NC(=O)CCCN1C(=S)S\C(=C/c2ccco2)C1=O
Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
Oc1ccc(Cl)cc1C=NNC(=O)c1ccncc1 |w:9.10|
CCOC(=O)CC1N(CCNC1=O)c1nc2ccc(C)cn2c(=O)c1\C=C1/SC(=S)N(C(C)CC)C1=O
Cc1nc(C)c(s1)C(=O)NN=Cc1cc(Br)ccc1O |w:10.10|
Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O
OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
COc1ccc(cc1)C(=O)Nc1cccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)c1
OC(=O)COc1ccc(Br)cc1CP(=O)(c1ccccc1)c1ccccc1
FC(F)(F)C(CC(=O)c1cccs1)=NNC(=O)c1ccncc1 |w:13.14|
C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
CN1CCN(CC1)c1c2CCCCc2nc2c(c(C)nn12)-c1ccccc1
COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O
COc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
Cc1ccc(cc1CNC(=O)c1ccccc1)-c1nn(C)c(=O)c2ccccc12
CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|
COc1cc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)ccc1O
Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:9.9|
C\C(\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O)=C/c1ccccc1
OC(=O)C(N1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O)c1ccccc1
CCC(=O)N1N=C(CC1c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O |c:5|
CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
CN(C)CCCNc1oc(\C=C\c2ccccc2)nc1C#N
CCN(CC)CCCNc1oc(\C=C\c2ccccc2)nc1C#N
O=C(NN=Cc1cccnc1)c1cc(n[nH]1)-c1ccccc1OCc1ccccc1 |w:3.2|
N#Cc1nc(\C=C\c2ccccc2)oc1NCCCN1CCOCC1
COCCNc1oc(\C=C\c2ccccc2)nc1C#N
COc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1cccnc1
Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1
CCOC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)C(C)(C)C |t:5|
CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1O |w:14.16|
COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(s2)S(=O)(=O)N2CCCC2)cc1
Cc1ccc(\C=C2/SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1 |c:18|
COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1 |w:11.11|
NS(=O)(=O)c1cccc(NC(=O)CSc2nc3nc(cc(c3c(=O)[nH]2)C(F)(F)F)-c2cccs2)c1
CC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:1.0|
OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 |w:14.14|
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1cccs1
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1nc2ccccc2[nH]1
Cc1cccc(n1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:12.13|
[O-][N+](=O)c1cccc(\C=C2\SC(NS(=O)(=O)Cc3ccccc3)=NC2=O)c1 |c:23|
[H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)Nc2ccc(cc2)C(O)=O)C1=O |TLB:6:5:10.9:2,27:9:2:7.5,THB:11:10:2:7.5,8:7:10.9:2|
Oc1ccc2occ(C=C3SC(S)=NC3=O)c(=O)c2c1 |w:8.7,c:12|
Clc1ccccc1Cc1nn2c(nc1=O)sc(=C1C(=O)N(CC=C)c3ccccc13)c2=O
Brc1ccc2=NC(=O)C(NNc3nnn[nH]3)=c2c1 |c:16,t:4|
Oc1ccc2occ(\C=C3\C(=O)N=C4SC=CN4C3=N)c(=O)c2c1 |c:15,t:12|
COC1=C\C(=C\c2c(N)n3c(nc2=O)sc2cc(ccc32)S(C)(=O)=O)C=CC1=O |c:28,t:2|
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NN=Cc1ccccc1
OC(=O)Cc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O |(3.91,.29,;5.24,1.06,;5.24,2.6,;6.57,.29,;7.91,1.06,;9.24,.29,;9.24,-1.25,;10.58,-2.02,;10.58,-3.56,;9.24,-4.33,;7.91,-3.56,;7.91,-2.02,;6.57,-1.25,;10.58,1.06,;11.95,.24,;13.35,1.03,;14.68,.26,;13.35,2.63,;11.95,3.43,;10.58,2.6,;9.24,3.37,;7.91,2.6,;6.57,3.37,)|
CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccccc3OCC(O)=O)s2)cc1
COc1ccc(NC(=S)NNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:23.25|
[H][C@@]12N(CC=C)c3ccccc3[C@@]11C[C@H](N(C(=O)OCCC#C)C1=NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:26,32|
OC(=O)c1ccc(cc1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|
OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 |w:15.17|
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S\C(=C/c2cccs2)C1=O
O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
OC(=O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
Cc1nccc(n1)-c1cccc(NN=C(C#N)C(=O)c2ccccc2)c1 |w:13.13|
Nc1ccccc1Sc1ccc(cc1[N+]([O-])=O)C(=O)c1ccccc1C(O)=O
Cc1csc(NC(=O)COCC(O)=O)c1-c1nc2ccccc2s1
Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)Nc2c(C)onc2-c2ccccc2)c1
Cc1csc(NC(=O)CSCC(O)=O)c1-c1nc2ccccc2s1
Cc1ccc2Nc3c(Nc2c1C)c(=O)c3=O
NC(=O)c1sc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccsc1
Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
NCCNC(=O)Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO
CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1
ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1
CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
NC(C(=O)NO)c1ccc(cc1)-n1cccn1
NC(C(O)=O)c1ccc(cc1)-n1cccn1
CC(C)(C)OC(=O)NC(C(O)=O)c1ccc(cc1)-n1cccn1
Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1
CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1
ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1cccc2ccccc12
ONC(=O)C(Cc1ccccc1)C(=O)NCCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)N1CCc2ccccc2C1
CC(C)CC(C(=O)NO)C(=O)NCCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1cccc(c1)-c1ccccc1
CC(C)CC(C(=O)NO)C(=O)NCc1cccc2ccccc12
CC(C)CC(C(=O)NO)C(=O)N1CCCc2ccccc12
CC(C)CC(C(=O)NO)C(=O)NCCCCc1ccccc1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCc2ccccc2C1
ONC(=O)C(Cc1ccccc1)C(=O)NCCCCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1ccc(F)cc1
CC(C)CC(C(=O)NO)C(=O)NCc1ccc(F)cc1
On1c2ccccc2cc(C(=O)NCc2ccc(F)cc2)c1=O
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)NCCCCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)NCCCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
ONC(=O)C(Cc1ccccc1)C(=O)NC1Cc2ccccc2C1
ONC(=O)C(=C\c1ccccc1)\C(=O)NCc1ccc(F)cc1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1cccc(Oc2ccccc2)c1
ONC(=O)C(Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1
Cc1ccccc1CNC(=O)C(Cc1ccccc1)C(=O)NO
CC(C)CC(C(=O)NO)C(=O)NCc1ccccc1
On1c2ccccc2cc(C(=O)NCCCCc2ccccc2)c1=O
ONC(=O)C(=C/c1ccccc1)\C(=O)NCCCCc1ccccc1
ONC(=O)C(=C/c1ccccc1)\C(=O)NCc1ccc(F)cc1
ONC(=O)C(Cc1ccccc1)C(=O)NCc1ccccc1
ONC(=O)C(Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
CC(C)CC(C(=O)NO)C(=O)NCc1ccc(Cl)cc1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)NCc1ccccc1
CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)NCc1ccc(Cl)cc1
CC(C)CC(C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1
CC(C)CC(C(=O)NO)C(=O)NCc1cccc(Oc2ccccc2)c1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCC(Cc2ccccc2)CC1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)NCCCc1ccccc1
ONC(=O)C(Cc1cccc(Oc2ccccc2)c1)C(=O)NCc1ccc(cc1)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
CCCC[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O |r|
N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |r|
N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
COc1ccc(C[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc2ccccc2c1)C(O)=O |r|
CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CC(C)CC(C(=O)NO)C(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC(C)C
CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)C(N)C(=O)NO
OC(=O)CCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
NCCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1