465 SMILES Strings for C-C chemokine receptor type 6

Compound Name
SMILES String
CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23|
COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23|
COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:21.21|
CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:20.21|
Oc1c(C=NCc2ccncc2)sc2ccccc12 |w:4.4|
CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)cc2)o1
COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Fc1cccc2sc(Nc3nnc(o3)-c3ccco3)nc12
Oc1cc(Sc2nnc(o2)-c2ccccc2O)c(O)n1-c1ccccc1
Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Oc1cc(Sc2nnnn2C2CCCCC2)c(O)n1-c1ccccc1
CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
COc1ccc(cc1)-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13|
[#6]-[#6]-[#6]-[#6](=O)-[#7]1-c2ccccc2\[#6](=[#6]-2\[#16]-[#6](-[#6](=O)-[#8]-[#6])=[#6](-[#16]-2)-[#6](=O)-[#8]-[#6])-[#6](=S)C1([#6])[#6] |c:20|
CC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(N)=S |w:17.19,c:5|
Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
C1CCC(CC1)c1ccc2n3CCCNC4CCCc(c34)c2c1
Clc1ccc(OC(=O)c2ccco2)c2ncccc12
Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|
O=C(N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N)c1ccccc1
O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
[H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7]-[#6]-3=O)\[#6]2=[#6](/c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1 |c:2,TLB:11:6:13:2.3,THB:8:7:13:2.3|
S=C(Nc1ccccc1)c1ccccn1
COc1ccc(NC(=S)NC(NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cccc(Cl)c1 |t:1|
CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:5|
O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)c1ccccc1
Cc1cc(ccc1NC(=S)NC(=O)Cc1ccccc1)[N+]([O-])=O
CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:5|
CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|
Oc1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:23|
[H]C12CC3([H])CC([H])(C1)CC(CCC(C)=NNC(N)=S)(C2)C3 |w:15.16,TLB:8:1:21:6.9.5,8:6:21:1.20.2,THB:5:6:20:3.21.2|
COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
COc1ccccc1C(=O)NC(N)=Nc1nc2ccccc2o1 |w:13.14|
COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
CS(=O)(=O)c1cc(c(Sc2nc3ccccc3[nH]2)c(c1)[N+]([O-])=O)[N+]([O-])=O
COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)c1O |w:9.9|
C=CCN(CC=C)C(=S)NC(=O)c1ccc(cc1)-c1ccccc1
CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
CCCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)C(F)(F)F
[O-][N+](=O)c1cc(cc(c1-n1nnc2ccccc12)[N+]([O-])=O)C#N |(11.73,-1.32,;10.22,-1.63,;9.74,-3.1,;9.19,-.49,;9.67,.98,;8.64,2.12,;7.13,1.8,;6.65,.34,;7.68,-.81,;7.2,-2.27,;8.1,-3.51,;7.2,-4.75,;5.75,-4.28,;4.41,-5.05,;3.08,-4.28,;3.08,-2.74,;4.41,-1.97,;5.75,-2.74,;5.19,.82,;4.87,2.33,;4.04,-.21,;9.12,3.59,;9.6,5.05,)|
[O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccn1
Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1nccs1
[O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9|
FC(F)(F)c1cnc(c(Cl)c1)-n1ccnc1SCC(=O)c1ccc(Cl)cc1
FC(F)(F)c1cnc(c(Cl)c1)-n1ccnc1SCC(=O)c1ccc(Br)cc1
Cc1cccc(NC(=S)NN=Cc2ccc(s2)[N+]([O-])=O)c1 |w:10.9|
CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)C(F)(F)F
Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C=CC1=O |c:16|
CC(=NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1)c1ccccn1 |w:2.2|
Cc1cc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1C
Fc1ccc(cc1)C(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)scc1-c1ccc(C)o1
CCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Cc1cc(C)cc(c1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
CCOc1ccc(cc1)C(=O)NN=Cc1cccc2cccnc12
Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1ccc(Cl)c2cccnc12
Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|
[O-][N+](=O)c1cc(ccc1Oc1ccccc1C(=O)Nc1ccccc1Cl)C(F)(F)F
[O-][N+](=O)c1cc(ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1)C(F)(F)F
[O-][N+](=O)c1cc(Cl)ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCCC1
CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O |c:7|
CCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1
ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
CC1=NN(C(=O)\C1=C\NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34)c1ccccc1 |t:1|
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
FC(F)Oc1ccc(cc1)N1C(=O)C=CC1=O |c:14|
CC1C(N(C)C(C(C)C1(O)C#Cc1ccccc1)c1ccccc1)c1ccccc1
CC(=NNC(=S)Nc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
Cc1ccc(NC(=O)c2cc(ccc2Cl)N2C(=O)C=CC2=O)cc1C |c:19|
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
CC(C)C(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Cc1ccc(cc1)C(CCN(Cc1ccccc1)C(=O)c1ccco1)c1ccco1
CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)NN=Cc1ccccn1
[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7](-[#6]-[#6])-[#6](=S)-[#7](-[#6]-[#6])-[#6]-1=O
[O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:17|
Cc1ccc(C)c2sc(NC(=O)c3nc4ccccc4s3)nc12
COc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)s2)o1
CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O
CCCCn1c(N)c(C(=S)NC(=O)CC(C)(C)C)c(=O)n(C)c1=O
O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12 |w:12.13,c:10|
CCCCn1c(N)c(C(=S)NC(=O)CC(C)C)c(=O)n(C)c1=O
O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
[O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccccn2)c1 |w:10.9|
O=C(Cc1ccccc1)Nc1cccc(c1)N1C(=O)C=CC1=O |c:21|
CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
O=C(NC(=S)N(CCc1ccccc1)CCc1ccccc1)c1ccco1
O=C(NNC(=O)c1ccccc1)c1cc(nn1-c1ccccc1)-c1ccccc1
CC1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1
[O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)Nc1nnc(s1)C1CC1
Brc1cccc(c1)C(=O)NC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1
Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Cc1ccc(Oc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
[O-][N+](=O)c1c[c-](Cc2ccccc2)cc(\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1=O
CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
CN(C)CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
[O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
CNCc1ccccc1Sc1cc(O)ccc1O
[O-][N+](=O)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
[O-][N+](=O)c1cccc(\C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)c1
[O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2nnn[nH]2)c1 |w:10.9|
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NN1C(=O)c2cccc3cccc(C1=O)c23 |w:15.17|
Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
CN(C)c1nc(Nc2ccc(F)cc2)nc(N=NCc2ccccc2O)n1 |w:16.16|
Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1 |c:25|
COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
CCOc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
CS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)CC(=O)OCc1ccccc1
Oc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
CC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Cc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1
CC(C=CC1=C(C)CCCC1(C)C)=NNC(=O)c1ccncc1 |w:13.14,3.3,c:4|
Cc1cc2nc(sc2cc1C)-n1c(O)c[nH]c1=S
[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=O)Nc2ccccc2)c1 |w:10.10|
O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
[#6]-c1c(-[#7]\[#7]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c(=O)n(-c2ccccc2)n1-[#6]
CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3|
Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
Fc1ccc(Cc2cnc(s2)N2C(=N)SCC2=O)cc1
Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
[O-][N+](=O)c1ccc2C(=O)N(Cc3cccnc3)C(=O)c3cccc1c23
CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
CC1SC(=N)N(C1=O)c1ncc(Cc2ccc(C)cc2)s1
Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Oc1cc(cc2cccnc12)[N+]([O-])=O
FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
Cc1ccc(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1
COc1ccc(cc1)N1C(=S)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O |w:15.16,17.18|
COc1ccc[c-](C[NH+]=Nc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(n2)N2CCCC2)c1=O |w:9.9|
OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|
Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-[#6](=S)-[#7]-[#6]-[#6]-c1ccccc1
CCc1ccccc1OCC(=O)Nc1nc(cs1)-c1cccnc1
Cc1cc(C)c(OCC(=O)Nc2nc(cs2)-c2ccccn2)c(C)c1
CCN(CC)CCNC(=S)NC(=O)c1cn(nc1-c1ccc(OC)cc1)-c1ccccc1
Cc1ccc(C)c(c1)-c1csc(NC(=O)c2cnccn2)n1
[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:15.15|
[#6]C([#6])([#6])[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-[#6](=S)-[#7]-[#6]-c1ccccc1
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
CCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(F)cc2)n1 |w:13.13|
COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2cccc(-[#8]-[#6]-c3ccccc3)c2n1 |w:4.3|
COC(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1Cl |w:15.16,5.4|
CC(C)c1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
CN1C(=O)C(C2CC(N=N2)c2ccc(Cl)cc2)C(=O)N(C)C1=O |c:8|
Cc1cc(O)c(cc1O)-c1cc(O)c(C)cc1O
CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O
ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
COc1ccccc1N1C(=O)C=C(Sc2nc(C)cc(C)n2)C1=O |t:12|
Cc1nn2c(NCc3ccccn3)cc(C)nc2c1-c1ccc(Cl)cc1
CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(C(C)CC)C1=O |w:10.9|
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2cc3ccccc3cc12
CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccco1
CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
COCCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C(C)c1ccc(O)cc1 |w:21.23,4.3|
NC(SCC=C)=N[NH+]=C[c-]1cc(Br)cc([N+]([O-])=O)c1=O |w:7.6,1.0|
Cc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
O=C(CSc1cccc2cccnc12)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1cc(C)nc(NNC=C2C(=O)CC(CC2=O)c2ccc(F)cc2)n1 |(5.75,-8.44,;5.75,-6.9,;4.41,-6.13,;4.41,-4.59,;3.08,-3.82,;5.75,-3.82,;7.08,-4.59,;8.41,-3.82,;8.41,-2.28,;9.75,-1.51,;9.75,.03,;11.08,.8,;12.42,.03,;11.08,2.34,;9.75,3.11,;8.41,2.34,;8.41,.8,;7.08,.03,;10.52,4.44,;12.06,4.44,;12.83,5.78,;12.06,7.11,;12.83,8.44,;10.52,7.11,;9.75,5.78,;7.08,-6.13,)|
O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Cc1nc(c(C#N)c(C)c1[N+]([O-])=O)S(=O)(=O)c1ccccc1
COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl |c:8|
[H][C@]12C[C@@]3(CC[C@]4(C)C(=CCC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]45C)[C@]3([H])C[C@@]1(C)CO)C(=O)O2 |c:8|
[O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Oc1ccc[c-](C[NH+]=Nc2ccc(cc2)[N+]([O-])=O)c1=O |w:8.8|
Clc1ccc(OC(=O)c2cccnc2)c2ncccc12
CCN(CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc12
Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
ClC1=C(NC(=O)c2ccccc2)C(=O)C(Cl)=C(NC(=O)c2ccccc2)C1=O |c:1,t:16|
CN(N=Cc1cc(Br)cc(Br)c1O)c1cccc(n1)C(F)(F)F |w:2.1|
CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl |w:2.2|
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CN(C)CCSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1
CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
CN(C)C(CNc1ccc(cn1)C(F)(F)F)c1ccccc1
CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|
Cc1cccc(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)n1
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:14.15,t:12|
CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(Cl)c1
Clc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1
N(c1n[n+](c(\C=C\c2ccccc2)s1)-c1ccccc1)c1ccccc1
OC(=O)c1ccc(cc1)N=NC=CCc1ccc(o1)[N+]([O-])=O |w:9.9,12.13|
Nc1c(cc(NC(=O)c2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
[H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CCCCc12
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1
CC(C)Cc1nnc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)s1
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
CC(Oc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccn1
C1=CC(=O)NC1=O
FC(F)(F)c1nc2cccc3cccc([nH]1)c23
Cc1ccc(O)c(c1)N=Nc1nccs1 |w:8.8|
CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]21C
CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)\C=C\c1ccccc1
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1OC |w:9.9|
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9|
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc12
COc1cc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)ccc1OCC=C |w:7.7|
CC(=O)Nc1ccc(Sc2ccc(o2)[N+]([O-])=O)cc1
Oc1c(Cl)c(N=CCc2ccccc2)c(O)c2ccccc12 |w:5.4|
[O-][N+](=O)c1ccc(N=[NH+]C[c-]2ccccc2=O)nc1 |w:7.6|
Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O |c:16,t:12|
CC(=O)OC1CCC2(C)C3CCC4(C)C(C\C(=C(/OC(C)=O)C(F)(F)F)C4=O)C3CC=C2C1 |c:32|
FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
[H]C12CC3([H])CC([H])(C1)C(C(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)C([H])(C2)C3 |TLB:10:9:5:1.8.2,THB:10:9:3.34.5:1.33.8,33:31:5:1.8.2,33:1:31.9.34:5,2:1:9:3.34.5,(1.92,.06,;2.25,1.56,;.74,1.49,;2.03,2.23,;3.04,1.07,;2.03,3.72,;3.32,4.46,;3.32,6,;2.25,3.17,;4.61,3.72,;5.69,4.81,;5.3,6.3,;7.18,4.41,;8.27,5.5,;9.76,5.1,;10.85,6.19,;12.37,5.95,;13.07,7.32,;11.98,8.41,;12.22,9.93,;13.66,10.48,;14.85,9.51,;13.9,12,;15.34,12.56,;15.58,14.08,;14.38,15.05,;14.62,16.57,;12.94,14.49,;12.7,12.97,;10.61,7.71,;9.23,8.41,;4.61,2.23,;6.08,1.78,;3.65,.83,;3.32,1.77,)|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
COCC(C)n1c(cs\c1=N/c1ccc(OC(F)F)cc1)-c1ccc2OCC(=O)Nc2c1
CN(C)c1c(cc(cc1[N+]([O-])=O)N1C(=O)C=CC1=O)[N+]([O-])=O |c:16|
Cc1cc(C)cc(c1)N1C(=O)C=CC1=O |c:12|
c1cc2c(ccc(c2nc1)O)Cl
Cc1c(cc(cc1[N+]([O-])=O)N1C(=O)C=CC1=O)[N+]([O-])=O |c:14|
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
CCOC(=O)c1cc(cc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O)[N+]([O-])=O
BrC1=C(C(=C(C1=O)c1ccccc1)c1ccccc1)c1ccccc1 |c:3,t:1|
COC(=O)C1C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC |c:33,t:23|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
CC(N=Nc1ccc2ccccc2n1)c1ccccc1O |w:2.1|
[O-][N+](=O)c1ccc[c-](C[NH+]=Nc2ccc3ccccc3n2)c1=O |w:10.10|
ClC1=CC(C=CC1N=O)=C(C#N)c1ccc(Cl)cc1 |w:3.2,c:4,t:1|
COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|
COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O |c:2,21|
CC(OC(C)=O)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(O)c(ccc1C2=O)-c1ccc2C(=O)C3=C(C(=O)CC(C)(O)C3C(C)OC(C)=O)C(=O)c2c1O |c:7,t:35|
CC1OC(CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9|
Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)c2c1
Brc1cn(CC2(CC(=C)C(=O)O2)c2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
CC1COCC(C)N1C1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
CN(C)c1ccc(Cc2cc3c(O)ccc(O)c3cc(Cc3ccc(cc3)N(C)C)c2=O)cc1
COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1
COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:22,t:4|
O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1 |t:17,21|
CCN1CCC(O)(\C=C\c2ccc(C)cc2)C(C1)C(=O)C=Cc1ccc(C)cc1 |w:20.21|
CCCCC=C1CCC(CN(C)C)C1=O |w:4.3|
COc1ccc(C=C2CCC(CN3CCOCC3)C2=O)cc1 |w:6.5|
COc1cccc(C=C2CCC(CN(C)C)C2=O)c1 |w:7.6|
CCC(=O)OCOc1ccc(C=C2CCC(CN(C)C)C2=O)cc1 |w:11.10|
CC[N+]1(C)CCC(O)(\C=C\c2ccccc2)C(C1)C(=O)C=Cc1ccccc1 |w:20.21|
CN(C)CC1CCCC(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O |w:9.9|
CN(C)c1ccc(\C=c2/c3cc(ccc3n3[n+](C)c(cc23)-c2ccccc2)[N+]([O-])=O)cc1
C\C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CCC34C)C2CC1(C)C |c:21|
CCOC(=O)c1cc(nc2c(O)cccc12)-c1ccccc1
[H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
Cc1cccc2C(=O)C(=O)N(CCCOc3ccc(cc3)C(C)(C)C)c12
CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3cccs3)c2C1
CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C/c1ccccn1
CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r|
COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r|
CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1 |r|
CC(C)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1
CCC(CC)(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H]3CCCc4ccccc34)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccccc4CCC3(C)C)c(=O)c2=O)c1O
COC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1 |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(CC(C)(C)C)c3ccccc3)c(=O)c2=O)c1O
CC(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCc4ccccc34)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccccc3)C(C)(C)O)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H]3CCOc4ccccc34)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCc4occc34)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCN(C)c4ccccc34)c(=O)c2=O)c1O
COc1ccccc1C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccccc3C)C(C)(C)C)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(N[C@@H]3CCCc4ccccc34)c(=O)c2=O)c1O |r|
CN(C)C(=O)c1cccc(Nc2c(NC3c4ccccc4CCC3(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(F)cc3F)C(C)(C)C)c(=O)c2=O)c1O
COc1cccc(c1)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3cccc(C)c3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)(C)C(C)(C)C)c(=O)c2=O)c1O
C[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C |r|
CN(C)C(=O)c1cccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(N[C@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r|
CN(C)C(=O)c1cccc(Nc2c(N[C@@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCc4sccc34)c(=O)c2=O)c1O
COC(=O)C(C)(C)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccco3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C(C)(C)C)c(=O)c2=O)c1O
C[C@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NCC(C)(C)C)c(=O)c2=O)c1O
CC(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C12CCC(CC1)CC2
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccccc3)C(C)(C)CO)c(=O)c2=O)c1O
CCC(C)(C)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C(C)(C)C)C(C)(C)C)c(=O)c2=O)c1O
CCC(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCCC3(C)C)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC3c4ccoc4CCCC3(C)C)c(=O)c2=O)c1O
CC1(C)CCc2occc2C1Nc1c(Nc2cccc(C(=O)N3CCOCC3)c2O)c(=O)c1=O
CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O
CCC(C)(C)C(C)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4occc4CCC3(C)C)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC3c4occc4CCC3(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3C=C(CCC3(C)C)c3ccoc3)c(=O)c2=O)c1O |c:17|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCC33CCCCC3)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC3CCCCC33CCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(CC3CCCCC3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCC33CCCC3)c(=O)c2=O)c1O
CCC1(CNc2c(Nc3ccc(Cl)c(c3O)S(=O)(=O)N(C)C)c(=O)c2=O)CCC1
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCC3)C3CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCC3)C3CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCC3(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C#C)C3CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CC4CCC3(C)C4(C)C)c(=O)c2=O)c1O
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)CCO)c(=O)c1=O
CCC(C)(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1
CC[C@@](C)(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1 |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)(C)C3CCCC3)c(=O)c2=O)c1O
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)Cc2ccccn2)c(=O)c1=O
CCC(CC)(CC)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CCC(C)(Nc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](C3CCCCC3)c3ccccc3)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](C3CCCC3)c3ccccc3)c(=O)c2=O)c1O |r|
CCN(CC)C(=O)c1cccc(Nc2c(NC(c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O
CC(C)c1ccccc1Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)(C)c3ccccc3)c(=O)c2=O)c1O
CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccc(C)s1 |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](C3CCC3)c3ccccc3)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](C3CC3)c3ccccc3)c(=O)c2=O)c1O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](C(=O)NC3CC3)C(C)(C)C)c(=O)c2=O)c1O |r|
CNC(=O)[C@H](Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C |r|
CNC(=O)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCC3)c3ccccc3)c(=O)c2=O)c1O
COCCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CC=C)CCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCC(C)(C)CC3)c(=O)c2=O)c1O
CCC1(CCCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N2CCN(C)CC2)c(=O)c1=O
COCC1(CCCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCCC3)c3cccs3)c(=O)c2=O)c1O
CN(C)C(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCC3)c(=O)c2=O)c1O
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
COCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CC3)C3CC3)c(=O)c2=O)c1O
CCCC1(CC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CC3)C(C)(C)C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCC3)c3cccs3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCC3)c3ccc(C)cc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCC3)c3cccc(F)c3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCC3)c3c(F)cccc3F)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCCC3)C#C)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCCC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(Cc4ccccc4)CCC3)c(=O)c2=O)c1O
CC1(C)CCc2occc2[C@@H]1Nc1c(Nc2cccc(Cl)c2O)c(=O)c1=O |r|
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCC3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCC3)c3cccc(C)c3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCC3)c3ccccc3F)c(=O)c2=O)c1O
CN(C)C(=O)c1cccc(Nc2c(NC3(CCCC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1cccc(Nc2c(NC3(CCCC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCCC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1cccc(Nc2c(NC3(CCC3)c3ccccc3)c(=O)c2=O)c1O
CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(CCC3)c3ccccc3)c(=O)c2=O)c1O
CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
NC(=O)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(46,-48.4,;44.66,-49.17,;44.66,-50.71,;43.33,-48.4,;41.99,-49.17,;40.66,-48.4,;40.67,-46.86,;41.99,-46.09,;43.33,-46.86,;39.34,-46.09,;38,-46.86,;36.67,-46.08,;36.68,-44.54,;38,-43.78,;39.34,-44.54,;35.35,-43.77,;34.57,-42.43,;36.11,-42.43,;34.02,-44.54,;34.01,-46.08,;32.68,-46.84,;31.35,-46.07,;31.34,-44.53,;32.68,-43.77,;30.02,-46.84,;28.68,-46.07,;28.68,-44.52,;27.34,-43.76,;26.01,-44.53,;26.01,-46.07,;27.35,-46.84,;24.68,-43.76,;23.35,-44.53,;23.9,-42.42,;25.44,-42.42,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(nc2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.69,-11.44,;24.02,-10.67,;23.24,-9.33,;24.78,-9.33,;25.35,-11.44,;26.68,-10.67,;28.02,-11.43,;28.02,-12.98,;29.36,-13.75,;30.69,-12.98,;32.02,-13.76,;33.35,-12.99,;33.36,-11.45,;32.02,-10.68,;30.68,-11.45,;34.69,-10.69,;33.91,-9.34,;35.45,-9.34,;36.02,-11.46,;36.01,-13,;37.34,-13.77,;38.68,-13,;38.68,-11.46,;37.35,-10.69,;40.01,-13.78,;40,-15.32,;41.33,-16.09,;42.67,-15.32,;42.67,-13.77,;41.33,-13.01,;44,-16.09,;45.33,-16.85,;26.69,-13.76,;25.35,-12.99,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccn2)nc1 |r,wU:12.15,wD:9.8,(1.79,-42.97,;3.13,-42.2,;2.35,-40.86,;3.89,-40.86,;4.46,-42.97,;5.79,-42.2,;7.13,-42.96,;7.13,-44.51,;8.47,-45.28,;9.8,-44.51,;11.13,-45.29,;12.46,-44.52,;12.46,-42.98,;11.13,-42.21,;9.79,-42.98,;13.8,-42.21,;13.02,-40.87,;14.56,-40.87,;15.13,-42.99,;15.12,-44.53,;16.45,-45.3,;17.79,-44.53,;17.78,-42.99,;16.45,-42.22,;19.12,-45.3,;19.11,-46.85,;20.44,-47.62,;21.78,-46.85,;21.77,-45.3,;20.44,-44.54,;5.79,-45.29,;4.46,-44.51,)|
COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(OC)cc2)cc1
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2cccnc2)nc1 |r,wU:12.15,wD:9.8,(23.31,-36.62,;24.64,-35.85,;23.86,-34.51,;25.4,-34.51,;25.97,-36.62,;27.3,-35.85,;28.64,-36.61,;28.64,-38.16,;29.98,-38.93,;31.31,-38.16,;32.64,-38.93,;33.97,-38.17,;33.98,-36.63,;32.64,-35.86,;31.3,-36.62,;35.31,-35.86,;34.53,-34.52,;36.07,-34.52,;36.64,-36.63,;36.63,-38.17,;37.96,-38.95,;39.3,-38.18,;39.3,-36.63,;37.97,-35.87,;40.63,-38.95,;40.62,-40.49,;41.95,-41.26,;43.29,-40.49,;43.29,-38.95,;41.95,-38.18,;27.31,-38.93,;25.97,-38.16,)|
O=S(=O)([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccccc1 |r,wU:3.2,wD:6.9,(13.66,-27.41,;14.44,-28.76,;15.2,-27.41,;13.11,-29.53,;13.1,-31.07,;11.77,-31.83,;10.44,-31.05,;10.43,-29.52,;11.77,-28.75,;9.11,-31.82,;7.78,-31.06,;7.77,-29.51,;6.44,-28.74,;5.11,-29.51,;5.1,-31.06,;6.44,-31.83,;3.77,-28.74,;2.43,-27.97,;15.78,-29.53,;15.76,-31.07,;17.09,-31.84,;18.43,-31.08,;18.43,-29.53,;17.1,-28.76,;19.76,-31.85,;19.75,-33.39,;21.09,-34.16,;22.42,-33.39,;22.42,-31.84,;21.09,-31.08,)|
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N |r,wD:22.27,19.20,(44.92,-28.84,;44.92,-27.3,;46.25,-26.53,;46.25,-28.07,;43.59,-26.53,;42.25,-27.3,;40.92,-26.53,;40.93,-24.99,;42.25,-24.22,;43.58,-24.99,;39.6,-24.22,;38.26,-24.99,;36.93,-24.21,;36.94,-22.67,;38.26,-21.91,;39.59,-22.67,;35.61,-21.9,;34.83,-20.56,;36.37,-20.56,;34.27,-22.67,;34.27,-24.21,;32.94,-24.97,;31.61,-24.2,;31.6,-22.66,;32.94,-21.9,;30.27,-24.97,;28.94,-24.2,;28.93,-22.65,;27.6,-21.89,;26.27,-22.66,;26.27,-24.2,;27.6,-24.97,;24.94,-21.89,;23.6,-21.12,)|
Oc1ccc(cc1)S(=O)(=O)N1CCC(C1)Nc1ccc(cn1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C#N
NC(=O)c1cc(ccn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.47,-12.84,;21.14,-12.07,;21.13,-10.53,;19.81,-12.84,;18.47,-12.08,;17.15,-12.85,;17.14,-14.39,;18.47,-15.16,;19.81,-14.39,;15.82,-12.08,;14.48,-12.85,;13.15,-12.07,;13.16,-10.53,;14.49,-9.76,;15.82,-10.53,;11.83,-9.76,;11.05,-8.42,;12.59,-8.42,;10.5,-10.53,;10.49,-12.07,;9.16,-12.83,;7.83,-12.05,;7.82,-10.52,;9.16,-9.75,;6.5,-12.83,;5.16,-12.06,;5.16,-10.51,;3.82,-9.74,;2.49,-10.52,;2.49,-12.06,;3.83,-12.83,;1.16,-9.75,;-.18,-10.52,;.38,-8.41,;1.92,-8.41,)|
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCCC(CC1)Nc1ccc(cn1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cccc(n1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cc1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccc1
NC(=O)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.22,-7.98,;43.89,-8.75,;43.89,-10.29,;42.55,-7.98,;41.22,-8.75,;39.88,-7.98,;39.89,-6.44,;41.22,-5.67,;42.55,-6.44,;38.56,-5.67,;37.22,-6.44,;35.89,-5.66,;35.91,-4.12,;37.23,-3.36,;38.56,-4.12,;34.57,-3.35,;33.79,-2.01,;35.33,-2.01,;33.24,-4.12,;33.23,-5.66,;31.9,-6.42,;30.57,-5.65,;30.56,-4.11,;31.9,-3.35,;29.24,-6.42,;27.91,-5.65,;27.9,-4.1,;26.56,-3.34,;25.24,-4.11,;25.23,-5.65,;26.57,-6.42,;23.9,-3.34,;22.57,-4.11,;23.12,-2,;24.66,-2,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2C#N)nc1 |r,wU:12.15,wD:9.8,(1.94,-3.7,;3.28,-2.93,;2.5,-1.59,;4.04,-1.59,;4.61,-3.7,;5.94,-2.93,;7.27,-3.7,;7.28,-5.25,;8.61,-6.01,;9.95,-5.24,;11.28,-6.02,;12.61,-5.25,;12.61,-3.71,;11.28,-2.94,;9.94,-3.71,;13.95,-2.95,;13.17,-1.6,;14.71,-1.6,;15.28,-3.72,;15.27,-5.26,;16.6,-6.03,;17.93,-5.27,;17.93,-3.72,;16.6,-2.95,;19.27,-6.04,;19.26,-7.58,;20.59,-8.35,;21.93,-7.58,;21.92,-6.03,;20.59,-5.27,;20.59,-3.73,;20.57,-2.19,;5.94,-6.02,;4.61,-5.25,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2cccc(c2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.76,-58.96,;24.1,-58.19,;23.32,-56.86,;24.86,-56.86,;25.43,-58.96,;26.76,-58.19,;28.09,-58.96,;28.1,-60.51,;29.44,-61.27,;30.77,-60.5,;32.1,-61.28,;33.43,-60.52,;33.43,-58.98,;32.1,-58.2,;30.76,-58.97,;34.77,-58.21,;33.99,-56.86,;35.53,-56.86,;36.1,-58.98,;36.09,-60.52,;37.42,-61.29,;38.76,-60.53,;38.75,-58.98,;37.42,-58.21,;40.09,-61.3,;40.08,-62.84,;41.41,-63.61,;42.75,-62.84,;42.74,-61.29,;41.41,-60.53,;44.08,-60.52,;45.4,-59.74,;26.76,-61.28,;25.43,-60.51,)|
NC(=O)c1ccccc1-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.36,-51.96,;44.03,-52.73,;42.69,-51.97,;44.03,-54.27,;45.36,-55.04,;45.37,-56.59,;44.03,-57.35,;42.7,-56.58,;42.71,-55.04,;41.37,-54.27,;40.04,-55.04,;38.71,-54.27,;38.72,-52.73,;40.04,-51.96,;41.37,-52.72,;37.39,-51.95,;36.61,-50.61,;38.15,-50.61,;36.05,-52.72,;36.05,-54.26,;34.72,-55.03,;33.39,-54.25,;33.38,-52.72,;34.72,-51.95,;32.05,-55.02,;30.72,-54.25,;30.71,-52.7,;29.38,-51.94,;28.05,-52.71,;28.05,-54.25,;29.38,-55.02,;26.72,-51.94,;25.38,-52.71,;25.94,-50.6,;27.48,-50.6,)|
NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.89,-52.56,;21.56,-51.8,;21.55,-50.26,;20.23,-52.57,;20.23,-54.12,;18.89,-54.89,;17.56,-54.12,;17.57,-52.58,;18.89,-51.81,;16.24,-51.81,;14.9,-52.57,;13.57,-51.8,;13.58,-50.26,;14.91,-49.49,;16.24,-50.26,;12.25,-49.49,;11.47,-48.14,;13.01,-48.14,;10.92,-50.25,;10.91,-51.79,;9.58,-52.56,;8.25,-51.78,;8.24,-50.25,;9.58,-49.48,;6.92,-52.55,;5.58,-51.79,;5.58,-50.24,;4.24,-49.47,;2.91,-50.24,;2.91,-51.79,;4.25,-52.56,;1.58,-49.47,;.25,-50.24,;.8,-48.13,;2.34,-48.13,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccncc2)nc1 |r,wU:12.15,wD:9.8,(3.02,-35.92,;4.35,-35.15,;3.57,-33.82,;5.11,-33.82,;5.68,-35.92,;7.01,-35.15,;8.35,-35.92,;8.35,-37.47,;9.69,-38.24,;11.02,-37.46,;12.35,-38.24,;13.68,-37.48,;13.68,-35.94,;12.35,-35.16,;11.01,-35.93,;15.02,-35.17,;14.24,-33.82,;15.78,-33.82,;16.35,-35.94,;16.34,-37.48,;17.67,-38.25,;19.01,-37.49,;19.01,-35.94,;17.67,-35.17,;20.34,-38.26,;20.33,-39.8,;21.66,-40.57,;23,-39.8,;23,-38.25,;21.66,-37.49,;7.01,-38.24,;5.68,-37.47,)|
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2)nc1 |r,wU:12.15,wD:9.8,(25.18,-30.39,;26.51,-29.62,;25.74,-28.28,;27.28,-28.28,;27.85,-30.39,;29.18,-29.62,;30.51,-30.38,;30.52,-31.93,;31.85,-32.7,;33.19,-31.93,;34.52,-32.7,;35.85,-31.94,;35.85,-30.4,;34.52,-29.63,;33.18,-30.39,;37.19,-29.63,;36.41,-28.29,;37.95,-28.29,;38.52,-30.4,;38.51,-31.94,;39.84,-32.72,;41.17,-31.95,;41.17,-30.4,;39.84,-29.64,;42.51,-32.72,;42.5,-34.26,;43.83,-35.03,;45.16,-34.26,;45.16,-32.72,;43.83,-31.95,;29.18,-32.7,;27.85,-31.93,)|
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N |r,wU:19.20,wD:22.27,(22.94,-28.71,;22.94,-27.17,;24.27,-26.4,;24.27,-27.94,;21.61,-26.4,;20.27,-27.17,;18.94,-26.4,;18.95,-24.86,;20.27,-24.09,;21.6,-24.85,;17.62,-24.09,;16.28,-24.85,;14.95,-24.08,;14.96,-22.54,;16.28,-21.77,;17.61,-22.54,;13.63,-21.77,;12.85,-20.42,;14.39,-20.42,;12.29,-22.54,;12.29,-24.08,;10.96,-24.84,;9.63,-24.06,;9.62,-22.53,;10.96,-21.76,;8.29,-24.84,;6.96,-24.07,;6.95,-22.52,;5.62,-21.75,;4.29,-22.52,;4.29,-24.07,;5.62,-24.84,;2.96,-21.75,;1.62,-20.98,)|
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccc(c1)-c1ccccc1
Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
FC(F)(F)c1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2)nc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(C)cn1
[H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1Cl |r,TLB:10:8:25:4.2.3|
CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cncc(N3CCCC3)c2)C1
CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1
CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)|
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r|
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1