732 SMILES Strings for Intestinal-type alkaline phosphatase

Compound Name
SMILES String
CC(C)CCNc1ncnc2n(Cc3ccccc3Cl)nnc12
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
OC1CN=C2Sc3ccccc3N2C1 |t:3|
O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
c1ccc(nc1)-c1cccc(n1)-c1ccccn1
COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc2C(=O)NC(=O)c12
CCC1CCCCN1C1Sc2ccc(cc2NC1=O)C(=O)OC
CC(C)CCNC(=O)C1CCN(CC1)C(=O)N(C)C
Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccco1
CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
CCCCCCCn1c2ccccc2n(CC(=O)c2ccco2)c1=N
O=C(CSc1nnc[nH]1)NCCc1ccccc1
Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1
C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Clc1cccc(NC2=NC(=S)N(CC#N)C22CCCCC2)c1 |t:7|
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1 |w:7.7|
COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O |w:13.15|
CCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1 |t:6|
Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Cc1nc(NC(=O)CSc2nc3cc4OCOc4cc3cc2C)sc1C
Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|
Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O |w:10.10|
CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1 |w:8.8|
CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
COc1ccc(NC(=S)NNC(=O)c2nnn(c2C)-c2ccccc2)cc1
Fc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12
Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O |w:3.2|
Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1
Cc1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n23)c(C)c1
CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O |w:15.16|
CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1 |w:8.8|
COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|
COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2[nH+]c3ccccc3c(=O)[n-]2)c1
O=C(NN=Cc1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1 |w:3.2|
Oc1ccccc1C=NNC(=O)C(=O)NCCCN1CCOCC1 |w:8.9|
CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1 |w:15.14|
Oc1ccccc1C=NNC(=O)c1cc(n[nH]1)-c1ccc2OCOc2c1 |w:8.9|
O=S(=O)(N1CCCC1c1cccs1)c1ccccc1
CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1=O
CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
[H][C@]12C(O)C[C@](C)(CC1(C)C)CC21C[C@H](O)CC(C)(C)C1 |TLB:13:12:8.7:2.4,THB:3:2:12.11:8.7,20:12:8.7:2.4|
CCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc12
CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O |w:7.7,14.13|
Cc1ccc(O)c(c1)N=CCC(=O)c1ccc(F)cc1 |w:8.8|
Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(OC)c1OC
CC(C)N1CC(CC1=O)C(=O)Nc1ccc(NC(C)=O)cc1
NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12
COc1ccc(Cc2cc(O)n(c2O)-c2ccc(C)cc2)cc1
Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1 |w:9.9|
Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:15.16|
COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
Fc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
CN1CCN(CCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O |w:14.15|
COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2cccc(OC)c2)c1
Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
Brc1ccc(OCC(=O)NCCCn2ccnc2)cc1
COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc2OCOc2c1
Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1 |w:9.10|
CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1 |(3.08,-2.31,;4.41,-3.08,;5.75,-2.31,;5.75,-.77,;4.41,,;7.08,,;7.08,1.54,;5.75,2.31,;5.75,3.85,;7.08,4.62,;8.41,3.85,;8.41,2.31,;7.08,6.16,;7.08,7.7,;8.62,6.16,;5.54,6.16,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;5.75,-6.93,;5.75,-5.39,)|
Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
Brc1c(OCC(=O)N2CCCCC2)ccc2ccccc12
COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
CC(=NNC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1 |w:2.2|
CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1 |w:10.10|
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1
Fc1ccc(cc1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Cc1ccc(cc1C)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
CCc1nnc(NC(=O)CSc2nnc(C)c(=O)n2N)s1
CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
COc1ccc2nc(N3CCC(O)CC3)c(cc2c1)C#N
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc12
Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
Nc1c(cc(Cl)c2nonc12)N1CCCC1
CCOP1(=S)N(C)C(=Nc2c1c(C)nn2CCC#N)c1ccc(F)cc1 |c:7|
O=C(C(C#N)c1ccccn1)c1ccco1
COc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1
CNc1nnc(s1)-c1cc2ccccc2oc1=O
O=c1[nH]c(nc(-c2ccccc2)c1C#N)N1CCOCC1
Fc1ccc(NC(=O)CN2CCN(CC2)C(=O)N2CCCCC2)cc1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3OCOc3c2)c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)n1nc(C)cc1C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
C(N1CCC2(CC1)OCCO2)c1nnc(o1)-c1ccccc1
CCn1cnc2sc(C(O)=O)c(C)c2c1=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1nnc2SC(C)Cn12 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,5:3:11:6.9.8,THB:5:6:11:3.12.2|
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1cccnc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N
N#Cc1cc(Oc2ccccc2)c(cc1C#N)-n1nnc2ccccc12
FC(F)(F)c1cc(nc(SCC(=O)NCc2ccccc2)n1)-c1cccs1
COc1ccc(cc1)C1=Nc2cc(C)ccc2OC1 |t:9|
COc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1OC
Cc1ccccc1CNC(=O)c1ccccc1N
COc1ccccc1C1CN(N=C1c1cccs1)c1ccccc1 |c:12|
O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
Brc1ccc(cc1)-n1cnc2scc(-c3cccs3)c2c1=O
C(Cc1ccncc1)SCc1ccccc1
COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C
CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
Cc1cccc(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
CC(=O)Nc1cccc(c1)-c1csc(Nc2ccccn2)n1
CCOC(=O)c1c(NC(=O)Cn2cc(cn2)[N+]([O-])=O)sc2CCCc12
[O-][N+](=O)c1ccc(cc1N1CCCCC1)N1CCN(CC1)C(=O)COc1ccccc1Cl
CCCn1c(\C=C\c2ccccc2)nc2ccccc12
Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
Cc1ccc(NC(=O)c2ccncc2)cc1[N+]([O-])=O
O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
C\C(C=NNC(=O)CCn1nnc2ccccc12)=C/c1ccccc1
CC(C)(C)N=NCc1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 |w:4.3|
CCOc1cccc(OCCOCCOc2ccccc2C(C)=O)c1
CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
[#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1cc(C)on1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2F)c(=O)c1CCO
OC(=O)COn1c(nc2ccc(Cl)cc12)-c1ccc(Cl)cc1
CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
CC(=O)CCc1ccc(Oc2nc(nc3ccccc23)-c2cccnc2)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|
Cn1nnnc1N=NC(=NNc1ccccc1)c1ccccc1 |w:9.10,7.8|
COc1cc(\C=C2/SC(=S)N(N(C)c3ccccc3)C2=O)ccc1O
CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc12
Cc1ccc2c(c1)nnc1nnc(SCC(O)=O)n21
Cc1ccc(NCc2ccc(s2)[N+]([O-])=O)cc1
NC(=O)c1ccc(NC(=O)C2CCCC2)cc1
Oc1ccccc1\C=C\C(=O)c1ccco1
COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:8.7|
CCOc1ccc(NC(=O)CSc2nncn2C)cc1
CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |w:3.3|
CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc(cc(OC)c1OC)C(=O)NCC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Clc1ccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)cc1
COc1cccc(CNS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)c1
CC1CCCN(C1)S(=O)(=O)c1ccc2OCCN(C(C)=O)c2c1
Cc1cccn2c1nc1n(C3CCCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
COc1cc(\C=C\C(=O)OCC(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
COc1cc(Cl)ccc1OCc1cc(no1)C(=O)N1CCCCCCC1
CCCCOc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1CCN1CCOCC1
O=C(NC1CCCCCC1)c1ccc(cc1)-n1cnnc1
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
CN1CCN(CC1)C(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1
c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 |(12.56,9.29,;13.55,8.11,;13.02,6.67,;14.01,5.49,;11.5,6.4,;11.5,7.94,;10.17,8.71,;8.84,7.94,;8.84,6.4,;10.17,5.63,;10.17,4.09,;8.84,3.32,;7.46,4.14,;6.06,3.35,;6.06,1.75,;4.73,.97,;7.46,.95,;8.84,1.78,;10.17,1.01,;11.5,1.78,;12.88,.95,;14.28,1.75,;15.61,.97,;14.28,3.35,;12.88,4.14,;11.5,3.32,)|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
Oc1ccc(cc1O)-c1cn2CCSc2n1
CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O)C(O)=O
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|
COc1cccc(c1)C(C)NC(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2cccc(OC)c2)c1
[O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1 |w:4.3,c:8|
Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
NNC(=O)c1cc(O)c(O)c(O)c1
Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O |w:6.6|
CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
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,)|
OCCC(=O)c1ccc(O)cc1
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O
OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Nc1cc2nc3ccccc3oc2cc1=O
CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
c1cc(c(cc1CC(=O)O)O)O
Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
CCOC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc12
OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|
Oc1ccc(cc1O)C(=O)CN1CCN(CC1)c1ccccc1F
Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1 |w:7.6|
Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1 |w:18.18|
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1
Cc1c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cnn1C
CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 |c:5,10|
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10|
Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
c1cc2c(cc1O)OC(=O)S2
CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
[O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
COc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
[H][C@@]12[C@@H](O)[C@@]3([H])[C@]4([H])[C@H](O)[C@@]([H])(C(=O)C5=C(O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(O)=C1C2=O |wU:1.0,wD:2.2,8.8,6.6,4.4,28.28,29.34,10.10,c:14,48,TLB:9:8:4.29:28.14.12,30:29:6.28:2,26:28:2:29.43.44,41:43:6.28:2,THB:10:29:6.28:2,8:6:2:29.43.44,45:44:6.28:2,14:28:2:29.43.44,(10.29,-2.42,;9.31,-1.56,;9.97,-.18,;11.5,-.06,;9.1,1.08,;7.86,.67,;8.62,-.39,;9.63,.45,;7.08,-.39,;6.92,-1.92,;6.61,1.08,;5.36,1.48,;5.66,-.12,;4.14,.08,;6.26,-1.52,;5.33,-2.8,;3.8,-2.65,;5.98,-4.25,;5.15,-5.49,;3.62,-5.38,;5.79,-6.84,;7.28,-6.97,;7.92,-8.37,;8.16,-5.76,;9.69,-5.93,;7.56,-4.39,;8.47,-3.09,;9.74,-3.96,;7.78,-1.66,;7.85,1.98,;9.19,2.75,;10.52,1.98,;9.19,4.29,;10.59,5.07,;11.91,4.29,;10.6,6.67,;11.94,7.44,;9.21,7.48,;7.83,6.66,;6.49,7.42,;7.85,5.06,;6.52,4.29,;5.19,5.06,;6.52,2.75,;6.67,-.21,;5.38,-1.04,)|
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1 |w:11.11|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(C)c1)N2Cc1ccc(OC)cc1
O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N1CCCCC1
Cc1cccnc1Nc1nc(cs1)-c1ccc(O)c(O)c1
CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Clc1ccc(NC(=O)NC2CCCCC2Cc2ccco2)cc1
CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
[H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1
Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Clc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
CC1NON=C1C(=O)NN=CC1=CC(=O)C(=O)C=C1 |w:9.9,c:4,18,t:12|
NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2ccccc2)c1
Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
Oc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)c(O)c1
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)o1
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:11.12|
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(F)c1)N2Cc1ccc(C)cc1
NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
[H]C12CCCC([H])(CC(C1)NC(=S)NCc1ccccc1)N2Cc1ccc(C)cc1
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1
Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
Cc1ccc(NC(N)=Nc2nc(C)cc(n2)N2CCCCC2)c(C)c1 |w:8.8|
Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
Oc1ccc(cc1-c1ccc(\C=C2/C(=O)NN(C2=O)c2cccc(Br)c2)o1)[N+]([O-])=O
NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O
FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1
CN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:12.13,1.0|
Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
COc1cc(OC)c2C(=O)CC(Oc2c1O)c1ccccc1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NNC1=c2ccccc2=NC1=O |c:16,23|
Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
C[N+](C)(C)C(Cc1ccccc1)C([O-])=O
Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
COc1cc(ccc1O)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Oc1ccc(CCN2C(=O)CNC2=S)cc1O
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-c3cc(-[#8])c(-[#8])cc3-c2c1-[#8]
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cccc(c3O)[N+]([O-])=O)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
CC(C)(C)c1ccc(O)c(c1)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|
OC(=O)CNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
Oc1cc(cc(O)c1O)C(=O)NN=Cc1cccnc1
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Cc1nn(CC=C)cc1CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Clc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
CCn1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c(C)n1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1
COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
CCCn1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
FC(F)Oc1ccc(NC(=S)NC2CCSc3ccccc23)cc1
OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
Cc1ccc(CNC(=S)NC2CCC(CC2)C(C)(C)C)cc1 |(4.41,-8.47,;4.41,-6.93,;3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,6.93,;7.08,8.47,;8.62,6.93,;5.54,6.93,;5.75,-4.62,;5.75,-6.16,)|
Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
S=C(NCc1ccccc1)NC1CCSc2ccccc12
COc1cc(C=NNC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1
Cc1cc(Cn2nc(cc2C(=O)NCc2cccc(c2)C(F)(F)F)-c2ccccc2)on1
CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
Cc1cc(O)c(Sc2nnc[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1
CCCCCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccncc1
COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
Oc1ccc(cc1O)C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c2c2CCCCCn12
[O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1
Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
CCc1cc(Cn2nc(cc2C(=O)NCc2cccc(Br)c2)-c2ccccc2)on1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
[O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccccc2)s1
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1
O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccccc1
CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1cc(Cl)cc(Cl)c1O
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Cl)cc1
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1
COc1cccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)c1
COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1
COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1OC
COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2F)cc1
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2cccc(F)c2)cc1
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1
NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2cccc(c2)[N+]([O-])=O)cc1
N[C@@H](Cc1ccccc1)C(O)=O
Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Oc1ccccc1\C=N\NC(=O)c1ccncc1
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
O=C(N\N=C\c1ccncc1)c1ccncc1
O=C(N\N=C\c1cccnc1)c1ccncc1
C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:14|
OP(O)([O-])=O
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Clc1ccc(C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c(Cl)c1
CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Fc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Clc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CCCCCCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CCCCCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Cc1ccc(c(C)c1)-n1c(cs\c1=N\NC(=O)c1cc2ccccc2oc1=O)-c1cc2ccccc2oc1=O |(6.52,-45.77,;7.43,-44.52,;8.97,-44.68,;9.87,-43.44,;9.24,-42.03,;7.71,-41.87,;7.93,-40.44,;6.8,-43.11,;10.15,-40.79,;11.69,-40.79,;12.17,-39.33,;10.92,-38.42,;9.68,-39.33,;8.21,-38.85,;7,-39.8,;5.6,-39.41,;4.45,-40.44,;5.28,-37.9,;6.42,-36.87,;6.1,-35.36,;7.24,-34.34,;6.93,-32.83,;5.46,-32.35,;4.32,-33.38,;4.64,-34.88,;3.49,-35.91,;3.8,-37.42,;2.66,-38.46,;12.6,-42.04,;14.13,-41.87,;15.03,-43.13,;16.56,-42.98,;17.45,-44.22,;16.82,-45.63,;15.29,-45.78,;14.39,-44.53,;12.86,-44.69,;11.97,-43.45,;10.46,-43.84,)|
COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O
COc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Cc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
CC(C)c1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
FC(F)(F)c1cc(=O)n2nc(NCC=C)sc2n1
CCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
CCCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
CCCCN(CCCC)c1nn2c(nc(cc2=O)C(F)(F)F)s1
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1ccccc1
Cc1ccc(cc1C)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
COc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
CCOc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
CCOc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Fc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
FC(F)(F)Oc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)C#N
[O-][N+](=O)c1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
COc1cccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)c1
CCCCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Cc1cc(C)cc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
CN(N)c1nn2c(nc(cc2=O)C(F)(F)F)s1
COc1cc(OC)cc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
FC(F)(F)c1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)-c1ccccc1
Fc1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Nc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
CN(C)CCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
CCc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Brc1ccccc1\C=C1/NS(=O)(=O)c2ccccc2C1=O
Clc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Cc1ccccc1\C=C1/NS(=O)(=O)c2ccccc2C1=O
COc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
O=C1\C(NS(=O)(=O)c2ccccc12)=C\c1ccccc1
COc1ccccc1\C=C1/NS(=O)(=O)c2ccccc2C1=O
COc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)cc1
Brc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Brc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)cc1
Clc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)cc1
Clc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c(Cl)c1
Fc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)cc1
Oc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
C1CN2C[C@@H](N=C2S1)c1ccccc1 |r,c:5|
Fc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Fc1cccc(F)c1\C=C1/NS(=O)(=O)c2ccccc2C1=O
COc1ccc(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
COc1ccc(cc1Br)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
COc1cc(Br)c(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
COc1ccc(C2NS(=O)(=O)c3cccc4c(ccc2c34)N(C)C)c(OC)c1OC
COc1ccc(c(c1)S(=O)(=O)Nc2cc3ccccc3nc2)OC
Oc1ccc(cc1O)C(=O)Cn1ccnc1
Cc1cnn(CC(=O)c2ccc(O)c(O)c2)c1
Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Oc1ccc(cc1O)C(=O)Cn1cnc2ccccc12
Cc1nccn1CC(=O)c1ccc(O)c(O)c1
CCc1nccn1CC(=O)c1ccc(O)c(O)c1
Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
Cn1c2nc[nH]c2c(=O)n(C)c1=O
CC(C)C[C@@H](C(=O)N)N
[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
CC(C)C[C@@H](C(=O)O)N
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OP(O)(=O)c1ccccc1S
Brc1ccc(cc1)-c1nnc2sc(nn12)-c1ccoc1
CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1cc(OC)nc(OC)n1 |w:14.16|
CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1 |w:14.16|
CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:14.16|
CCOC1Oc2ccc(Br)cc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:15.17|
CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1 |w:14.16|
CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1 |w:15.17|
CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O |w:16.18|
CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O |w:16.18|
Brc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
Fc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
O=c1c(coc2ccccc12)C1Nc2ccccc2S(=O)(=O)N1
CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:16.18|
CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:16.18|
CCOC1Oc2ccc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17|
CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17|
CCOC1Oc2ccccc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:14.16|
CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18|
CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18|
CCOC1Oc2ccc(Br)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:15.17|
CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:15.17|
CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:14.16|
Nc1ccc2sc(cc2c1)C1CN2C=CSC2=N1 |c:15,19|
[O-][N+](=O)c1ccc2sc(cc2c1)C1Cn2ccs[c+]2[N-]1
C1CN2CC(N=C2S1)c1cc2ccccc2s1 |c:5|
C1C(N=C2SC=CN12)c1cc2ccccc2s1 |c:5,t:2|
COc1cccc(CNC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
Cc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Clc1ccccc1NC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
O=C(CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
Fc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Oc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
O=C(NCCc1ccc2OCOc2c1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Clc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Clc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
FC(F)(F)c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Oc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Fc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)c1
Fc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Clc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccccc1
FC(F)(F)c1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCCc1ccc2OCOc2c1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCc1ccc2OCOc2c1
Fc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccc2OCOc2c1
Oc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1O
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1cccc(c1)C#N
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCc1ccc2OCOc2c1
COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccc(cc1)C#N
COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(Nc1ccc2OCOc2c1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
Cc1ccc(C)c(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(Nc1ccc(cc1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
O=C(Nc1cccc(c1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(CNC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
COc1ccc(CNC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
Nn1c(n[nH]c1=S)-c1ccncc1
Fc1cc(Cl)ccc1-c1nn2c(nnc2s1)-c1ccncc1
Fc1ccc(cc1Cl)-c1nn2c(nnc2s1)-c1ccncc1
c1coc(c1)-c1nn2c(nnc2s1)-c1ccncc1
c1cc(co1)-c1nn2c(nnc2s1)-c1ccncc1
CCOc1ccc(Cc2nn3c(nnc3s2)-c2ccncc2)cc1
Oc1ccc(OCc2nn3c(nnc3s2)-c2ccncc2)cc1
Cc1ccccc1OCc1nn2c(nnc2s1)-c1ccncc1
COc1ccc(OCc2nn3c(nnc3s2)-c2ccncc2)cc1
Fc1ccc(OCc2nn3c(nnc3s2)-c2ccncc2)cc1
Fc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccncc1 |t:8|
C1Sc2nnc(-c3ccncc3)n2N=C1c1ccc(cc1)-c1ccccc1 |c:15|
C1Sc2nnc(-c3ccncc3)n2N=C1c1cccc2ccccc12 |c:15|
[O-][N+](=O)c1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccncc1 |t:10|
Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1ccncc1 |t:9|
NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
C1C(N=C2SC=CN12)c1cc2ccccc2o1 |c:5,t:2|
OC(Cn1ccsc1=N)c1cc2ccccc2o1
N=c1sccn1CC(=O)c1cc2ccccc2o1
COC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
COC1Oc2ccc(F)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
COC1Oc2ccc(F)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COC1Oc2ccc(F)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
COC1Oc2ccc(C)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
COC1Oc2ccc(C)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COC1Oc2ccc(C)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
COc1ccc(Cn2c(-c3ccc(C)cc3)c(Br)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(OC)cc3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
COc1ccc(cc1)C(C)n1c(cc(=O)c2cc(ccc12)[N+]([O-])=O)-c1ccc(C)cc1
CCCCCc1cc(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
COc1ccc(Cn2c(-c3ccc(C)cc3)c(c(=O)c3cc(ccc23)[N+]([O-])=O)C(F)(F)F)cc1
Cc1ccc(cc1)-c1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
CCCCCc1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
Cc1ccc(cc1)-c1cc(=O)c2cc(N)ccc2[nH]1
COc1ccc(cc1)-c1c([nH]c2ccc(N)cc2c1=O)-c1ccc(C)cc1
Cc1ccc(cc1)-c1[nH]c2ccc(NC(=O)C(F)(F)F)cc2c(=O)c1-c1ccc(C)cc1
CCCCCc1c(Br)c(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
CCc1ccc(cc1)-c1c(-c2ccc(C)cc2)n(Cc2ccc(OC)cc2)c2ccc(cc2c1=O)[N+]([O-])=O
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3cc(C)cc(C)c3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
CC(c1ccccc1)n1c(-c2ccc(C)cc2)c(Br)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C(F)(F)F)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccccc3C=O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |(41.76,-40.13,;43.1,-40.89,;44.43,-40.12,;44.42,-38.57,;45.75,-37.8,;47.09,-38.57,;48.42,-37.8,;48.41,-36.26,;49.76,-35.48,;51.09,-36.25,;51.09,-37.79,;52.42,-38.55,;53.76,-37.78,;55.09,-38.54,;53.75,-36.23,;52.41,-35.47,;49.75,-33.93,;51.09,-33.16,;52.42,-33.93,;53.75,-33.15,;53.75,-31.61,;52.4,-30.85,;51.08,-31.62,;49.74,-30.86,;49.73,-29.32,;48.4,-33.15,;48.39,-31.61,;47.06,-33.94,;45.73,-33.17,;44.4,-33.94,;44.4,-35.49,;45.73,-36.26,;47.07,-35.49,;43.07,-33.17,;43.07,-31.64,;41.73,-33.95,;47.1,-40.11,;45.77,-40.88,)|
CCCCCc1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O
CCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
CCCCCCCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1[N+]([O-])=O
Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(Cl)cc3)c(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
Cc1ccc(cc1S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12
Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cccc(c3)[N+]([O-])=O)ccc12
Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12
Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
Cc1c(Cl)c(=O)oc2cc(OS(C)(=O)=O)ccc12
Cc1cc(=O)oc2c(c(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12)[N+]([O-])=O
CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
CCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)c1ccc(CCC)cc1
CCCCCCCCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CCCCCCCC
CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
CCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC