280 SMILES Strings for Mucolipin-3

Compound Name
SMILES String
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)C1CC1
Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCCC1
COc1cccc(CN(Cc2ccco2)C(c2nnnn2C(C)(C)C)c2ccc(F)cc2)c1
CC1(C)CCCC2=C1Cc1c(C2)c(O)n(c1O)-c1ccccc1 |c:6|
COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
CC1CCCC(C)N1C(=O)CN1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCC1
COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(Cl)ccc1OC
COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
Cc1cc(C)cc(c1)N1C(SCC1=O)c1cccs1
CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCOCC1
COCn1cc(c2cc(OCC=C)ccc12)S(=O)(=O)c1ccc(C)cc1
Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Cc1nn(c(OC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
Fc1ccc(cc1)S(=O)(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
C[N+](C)(C)C\C=C1\COCO1
Cc1onc(c1C(=O)Nc1cccc(c1)-c1nc2ncccn2c1C)-c1ccccc1Cl
O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1)C(C)(C)C
Cc1nc(NC(=O)c2csc3ccccc23)sc1C
CN(C)S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1Cl
CC(C)N(Cc1nc(no1)-c1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1
COc1ccc(cc1Br)S(=O)(=O)N1CCC(C)CC1
COc1ccc(c(C)c1C)S(=O)(=O)NC1CCCCC1
CC(c1ccccc1)c1cc(C)c(C)c(CN2CCOCC2)c1O
Clc1ccc(c(Br)c1)S(=O)(=O)N1CCCCC1
CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
COc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
Cc1cc(C)n(n1)-c1nc(C)nc(NCc2ccccc2)n1
O=S(=O)(N1CCCCC1)c1ccc2ccccc2c1
COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2C)c(OC)c1OC
Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 |t:1|
COc1ccc(OC)c(c1)S(=O)(=O)N1CCCc2ccccc12
CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccccc2)c2ccc(C)cc12 |t:1|
O=S(=O)(c1ccccc1)C1(CCCC1)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1C(=S)SCC1(C)C
COC(=O)C1=CCCN(C)C1 |t:4|
[H][C@@]12C[C@@](O)(CCN1C[C@@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
Cc1ccc(c2nsnc12)S(=O)(=O)NC1CCCCC1
CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCCCCC1
Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccccc1
CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCCCCC1
COc1cccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
CSc1nsc(SC)c1C(=O)N1CCN(C1C(C)C)S(=O)(=O)c1ccc(C)cc1
Cc1cc(C)cc(c1)N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
CCOC(=O)c1c(C)nn(c1NCc1ccccc1)S(=O)(=O)c1ccccc1
CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1
CC(C)Oc1ccc(C=NNC(=O)C(CSCc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |w:9.9|
COc1ccc(OC)c(c1)N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
CC(C)C(COCc1ccc(cc1)C(F)(F)F)N1CCN(CCC1=O)S(=O)(=O)c1ccc(C)cc1
ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(Cc2ccccc2)C1=O |c:1|
CC(=C)Cn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
CCCCn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1 |w:6.5|
CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
CC(C)n1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
[O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O
CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 |w:6.5|
CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccc(C)cc2)c2ccc(C)cc12 |t:1|
CCOc1cc(ccc1F)S(=O)(=O)N1CCCCCC1
CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
CCOC(=O)CSc1nc2n(-c3ccccc3OC)c(=S)sc2c(=O)n1Cc1ccco1 |(4.18,5.39,;4.18,3.85,;5.52,3.08,;5.52,1.54,;4.18,.77,;6.85,.77,;6.85,-.77,;8.18,-1.54,;9.52,-.77,;10.85,-1.54,;12.31,-1.07,;12.79,.39,;11.76,1.54,;12.24,3,;13.74,3.32,;14.77,2.17,;14.29,.71,;15.32,-.44,;16.83,-.12,;13.21,-2.31,;14.75,-2.31,;12.31,-3.55,;10.85,-3.08,;9.52,-3.85,;9.52,-5.39,;8.18,-3.08,;6.85,-3.85,;5.52,-3.08,;5.36,-1.55,;3.85,-1.23,;3.08,-2.56,;4.11,-3.71,)|
COc1ccc(c(Cl)c1Cl)S(=O)(=O)NC1CCCC1
CC(C)N(C(C)C)C(=O)c1ccc(cc1)C(=O)c1c(C)cc(C)cc1C
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
CCN(CC)C(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
CN(CCOc1ccccc1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
[H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#7]-[#6](=O)-[#6](-[#6]-[#6])-[#8]-c1cc(Cl)ccc1Cl)-[#6]-3=O)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:28:2.3,THB:26:6:28:2.3|
Brc1ccc(o1)C(=O)NC(=S)NNC(=O)c1cccs1
COc1ccccc1C1CN=NC11CCCc2ccccc2C1=O |c:11|
O=C1c2ccccc2CCCC11N=NCC1c1cccc2ccccc12 |c:14|
Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1
Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1Oc1cccc(c1)C(F)(F)F
O=S(=O)(\[#6]=[#6](\c1ccccc1)-c1ccccc1)c1ccccc1
Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C)C(C)(C)C
CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(C)C |c:5|
Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)C(C)(C)C
COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
CN(C)c1ncc(c(n1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
CC(C)COc1nc(C)cc(C)c1S(=O)(=O)c1c(C)cccc1C
COc1ccc2N(C(=O)CSc3nc4ccccc4s3)C(C)(C)CC(C)c2c1
Cc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
CN(c1cc(c(C)cc1C)S(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(C)cc1
CN(C)S(=O)(=O)c1cc(ccc1N1CCCCCC1)[N+]([O-])=O
COc1ccc(NS(=O)(=O)c2ccc(OC)c(c2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
CC(C)c1ccc(cc1S(=O)(=O)N1CCCCCC1)[N+]([O-])=O
CC1CCN(CC1)S(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
C(c1cccc2ccccc12)[n+]1csc2ccccc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1-c1ccccc1
COc1ccc(cc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)N1CCCCCC1
COc1ccc(cc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)N1CCCCCC1
CCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccc(F)cc1
CCOC(=O)c1c(CSc2ccc(C)cc2)oc2ccc(O)cc12
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1ccccn1
Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCCC1
CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(CC(C)=C)CC1)S(=O)(=O)c1ccc(C)cc1
CCNC(=S)N(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O
CC(C)N(C(C)C)C(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
CC(N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
OC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(c1ccccc1)c1ccccc1
COc1ccc(cc1NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C(C)(C)C
Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
CC(C)[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSC(=S)N(CC)CC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1-c1ccccc1
CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(c1)[N+]([O-])=O
CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)NC1CCCc2ccccc12
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2CCCc12
[H]C12CCC([H])(C1)C1C2ON=C1c1c(C)cc(C)cc1C |c:12,TLB:11:7:6:3.2,THB:9:8:6:3.2|
CC(C)(C)NC(=O)C12CCC(C(Br)Br)(C1Br)C2(C)C
COc1cc(C)nc(n1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
OC(=O)c1csc(N=NCc2ccc(Br)cc2)n1 |w:7.6|
Cc1ccc(NC(=O)c2cnc(N3CCN(CC3)c3ccccn3)c3ccccc23)c(Br)c1
COc1cc(c(C)cc1C)S(=O)(=O)N(C)C1CCCCC1
CCOc1ccc(c(C)c1C)S(=O)(=O)N1CCCCC1
COc1ccc(cc1Br)S(=O)(=O)N1CCCCCC1
Clc1ccc(Cl)c(c1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
Cc1ccc(N2CCN(CC2)S(=O)(=O)N2CCCCC2)c(C)c1
CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
CC1CCN(CC1)S(=O)(=O)c1ccc(C)cc1[N+]([O-])=O
Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O
CC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
CCC1CCCCN1S(=O)(=O)c1ccccc1[N+]([O-])=O
Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
O=S(=O)(N1CCCCCC1)c1ccc2ccccc2c1
COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
CCOC(=O)C1CCN(CC1)C(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1
COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1 |t:11|
Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-1\[#6](=[#6](/Cl)Cl)\[#6](=[#6]-1\[#16]-[#6]-[#6]-[#16]-1)\[#7+](-[#8-])=O
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(N2CCN(CC2)c2ccccn2)c(c1)[N+]([O-])=O |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
COc1ccc(cc1)N1C(c2ccccc2F)C(F)(F)C1=O
Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
CN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccccc1C)S(=O)(=O)N1CCCCC1
COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1c(C)noc1C
CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C#N
COc1ccc(CCNC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
Clc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1Cl
CSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
CCN(CC)c1ccc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2cccs2)cc1
Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
CN(c1ccc(OCC(=O)Nc2nnc(s2)C2CC2)cc1)S(=O)(=O)c1ccc(C)cc1
CCc1nnc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)s1
CC1(C)Cc2cccc(Oc3ccc(cn3)S(=O)(=O)N3CCCCC3)c2O1
[H]C12CCCC([H])(C1Cl)C2S(=O)(=O)c1ccc(C)cc1 |(8.34,1.93,;7.25,.85,;3.24,-.4,;3.08,-1.93,;4.49,-2.55,;6.85,-.64,;7.27,-2.12,;6.11,2.36,;5.34,3.69,;9.67,-1.01,;11.16,-1.41,;10.76,-2.9,;11.56,.08,;12.65,-1.81,;13.05,-3.3,;14.53,-3.69,;15.62,-2.61,;17.11,-3,;15.22,-1.12,;13.74,-.72,)|
COC(=O)C1(C(C[N+]([O-])=O)c2ccco2)C(CNC1=O)c1ccccc1
CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)c1c(C)onc1-c1ccccc1
Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
COc1ccc(cc1)C(=O)CSc1nnn(n1)-c1cccc(NC(C)=O)c1
COc1ccc(CCN2C(=O)CS\C2=N/c2ccc(cc2)C(C)C)cc1OC
[H]C12CN(C([H])(C1)CCC2)S(=O)(=O)c1ccc(C)cc1 |THB:10:3:6:9.7.8|
O=S(=O)(Oc1ccccc1N1CCCCC1)c1ccccc1
COC(=O)c1ccc(Cl)cc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O
Clc1ccc(cc1)S(=O)(=O)c1csc(Br)c1NC(=O)c1ccccc1Cl
COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccccc1
COC(=O)c1cc(c(s1)C(F)(F)F)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCN(C(=O)c1cnc(OC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl
Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1 |(6.9,-2.18,;7.81,-.93,;9.35,-.93,;9.82,.53,;8.58,1.44,;7.33,.53,;5.87,1.01,;5.39,2.47,;3.85,2.47,;3.37,1.01,;4.62,.1,;4.62,-1.44,;6.16,-1.44,;3.08,-1.44,;4.62,-2.98,;3.29,-3.75,;3.29,-5.29,;4.62,-6.06,;4.62,-7.6,;5.95,-5.29,;5.95,-3.75,;8.58,2.98,;7.24,3.75,;7.24,5.29,;8.58,6.06,;8.58,7.6,;9.91,5.29,;9.91,3.75,)|
Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1 |(9.36,-2.28,;10.27,-1.04,;11.81,-1.04,;12.28,.43,;11.04,1.33,;9.79,.43,;8.33,.9,;7.85,2.37,;6.31,2.37,;5.84,.9,;7.08,-0,;7.08,-1.54,;8.62,-1.54,;5.54,-1.54,;7.08,-3.08,;8.41,-3.85,;8.41,-5.39,;7.08,-6.16,;5.75,-5.39,;5.75,-3.85,;4.41,-6.16,;3.08,-6.93,;5.18,-7.49,;3.64,-4.83,;11.04,2.87,;12.37,3.64,;12.37,5.18,;11.04,5.95,;11.04,7.49,;9.7,5.18,;9.7,3.64,)|
Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1 |(6.9,-1.41,;7.81,-.16,;9.35,-.16,;9.82,1.3,;8.58,2.21,;7.33,1.3,;5.87,1.78,;5.39,3.24,;3.85,3.24,;3.37,1.78,;4.62,.87,;4.62,-.67,;6.16,-.67,;3.08,-.67,;4.62,-2.21,;3.29,-2.98,;3.29,-4.52,;4.62,-5.29,;4.62,-6.83,;5.95,-4.52,;5.95,-2.98,;8.58,3.75,;9.91,4.52,;9.91,6.06,;8.58,6.83,;7.24,6.06,;7.24,4.52,)|
O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1N1CCCCC1
O=C1CCCN1CC#CCN1CCCC1
CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
FC(F)(F)c1c(CCN2CCOCC2)c(=O)oc2c3CCCN4CCCc(cc12)c34
[#6]-[#6](=O)-[#7]-1-[#6](=O)\[#6](-c2ccccc-12)=[#6]-1\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-1 |c:21,t:16|
CCOC(=O)C1CN(CCN1S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1
CCOC(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1ccc2OCOc2c1
CCOc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(F)cc1
COc1cc(OC)c(cc1OC)C(=O)NC1CCCCCC1
[H]C12OC3(C=C1)C(C2C(O)=O)C(=O)N1C3C(C)C(=O)CC1c1ccco1 |c:4|
CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ccc(F)cc1
FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
O=C(Nc1ccccc1)Nc1ccc2snnc2c1
Cc1cc(nc(NCc2ccccc2)n1)N1CCCCC1
COC(=O)C([CH+][N-]OCc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc(Cl)c1
CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)-c1ccccc1
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
[#6]\[#6](-c1c([n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c1=O)-c1ccccc1)=[#7+](/[#6])-[#6]
COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1
COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
CNc1nc2cc(c(cc2nc1NC)[N+]([O-])=O)[N+]([O-])=O
CCN1C(=S)N\C(=C/c2ccc(cc2)N2CCCC2)C1=O
CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
CC(C)C=C1CCC(=Cc2ccc(cc2)N(C)C)C1=O |w:3.2,8.8|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
C(CC1=CCCCC1)Nc1ncnc2c3ccccc3[nH]c12 |t:2|
Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1)-c1ccccc1
CCOc1cc(C=C(C#N)c2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1
Clc1ccccc1NC(=S)NCCCc1ccccc1
Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1
COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
OC(=O)c1cc2OCCCOc2cc1Br
CCCCNC(=S)Nc1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1cc(NC(=O)Nc2ccccc2)ccc1F
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27|
Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(CN2CCOCC2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
CN1CCS\C1=C/C=C1\SC(=S)N(CC(O)=O)C1=O
CN1CCS\C1=C\C=C1/SC(=S)N(CC(O)=O)C1=O
N#C\C(=C/c1ccccn1)c1nc2ccccc2s1
COc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 |t:12|
COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
COc1ccccc1CC(=O)Nc1ccc(cc1O)[N+]([O-])=O
COc1cccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)c1
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1
COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O
CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
[O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1
CC(C)(C)S(=O)(=O)C(=NNc1ccc(Cl)cc1)C#N |w:8.8|
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O
CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C |w:4.4|
Cc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccc(C)cc2)no1
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2sc(=O)n(c2-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2ccccc2)-[#6]-1=O
CCN(CC)c1ccc(\C=C2/SC(=O)N(C(C)C)C2=O)o1
ClC(Cl)(Cl)C(=O)C(C#N)c1nc2ccccc2[nH]1
COc1cc(\C=C2/SC(=S)N(C2=O)c2cccnc2)ccc1O
COc1cc(N2CCCC2)c(OC)cc1\C=C1/SC(=O)N(C)C1=O
Oc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccncc1 |w:10.11|
CC(C)c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1CCc1ccccc1
[H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O |TLB:8:7:10.9:2,11:10:2:7.5,THB:6:5:10.9:2,30:9:2:7.5|
Cc1ccc(cc1NC(=O)Nc1cccc(F)c1)[N+]([O-])=O
CCN1C(=S)S\C(=C/C=C2\N(CC)c3cc(ccc3N2c2ccccc2)S(=O)(=O)N(C)C)C1=O
Oc1ccc(C=NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)cc1 |w:6.6,12.12|
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(CCc1ccccc1)c3=O
CCCc1ccc(cc1)C(=O)NC(=O)c1ccccc1O
COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Clc1ccc(NN=C(C#N)C(=O)C2CC2)cc1Cl |w:6.5|
Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccc(Cl)cc1
CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1
CN(C)c1ccc(C=C(C#N)C(=O)C2CC2)cc1 |w:7.6|
Cc1ccc(c(C)c1)-n1c(O)cc(N2CCSCC2)c1O |(5.79,-6.21,;5.79,-4.67,;7.12,-3.9,;7.12,-2.36,;5.79,-1.59,;4.46,-2.36,;3.12,-1.59,;4.46,-3.9,;5.79,-.05,;4.54,.85,;3.08,.38,;5.02,2.32,;6.56,2.32,;7.47,3.56,;6.84,4.97,;7.74,6.21,;9.28,6.05,;9.9,4.65,;9,3.4,;7.04,.85,;8.5,.38,)|
COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4
COc1ccccc1N1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccs1 |r|
COc1ccccc1N1CCN(CC1)[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1 |r|
CN1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
COc1ccccc1C1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
COc1ccccc1N2CCN(CC2)c3ccccc3NS(=O)(=O)c4ccccc4
COc1ccccc1N1CCN(CC1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
COc1ccccc1N2CCN(CC2)[C@@H]3CCCC[C@H]3NS(=O)(=O)c4ccccc4
COc1ccccc1N1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1 |r|
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(CC1)c1ccccc1)c1ccccc1 |r|
FC(F)(F)c1cccc(c1)N1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
Cc1ccc(CN2CCN(CC2)[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)cc1 |r|
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCC(CC1)c1ccccc1)c1ccccc1 |r|
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCc2ccccc2C1)c1ccccc1 |r|