450 SMILES Strings for Hematopoietic prostaglandin D synthase

Compound Name
SMILES String
COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O
OC(=O)c1cnn(c1)-c1ccccc1
COc1ccccc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
COc1ccc(cc1OC)-c1cnn(c1N)-c1ccccc1
COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
CCOC(=O)c1cc(OC)c(nn1)-c1ccccc1
COc1ccc(C(=O)CBr)c2ccccc12
Cc1cc(C)c([nH]1)-c1cc[nH]n1
Cc1ccc(cn1)-c1cc[nH]n1
Oc1c(Cl)cc(Cl)cc1-c1cc[nH]n1
Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1
c1cc(n[nH]1)-c1cc(no1)-c1ccccc1
CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cc(ns3)-c3ccccc3)ccc2C)CC1
COC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1
Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
OC(Cn1c(CCCCCCC(O)=O)c(O)n(Cc2ccccc2)c1=O)C1CCCCC1
CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O |w:8.7,12.11,c:20|
CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](S2)[C@@H]1C\C=C/CCCC(O)=O |r|
OC(=O)C(CC=C(CCC1CCC(=O)C1)OCc1ccc(cc1)-c1ccccc1)N1CCOCC1 |w:5.4|
CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O
CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |r|
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
OC(CCn1c(CCCCCCC(O)=O)c(O)[nH]c1=O)C1CCCCC1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O |w:20.22|
c1cc(cc(c1)Cl)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O
COC(=O)CCC=C=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:12.11,(-.79,-17.87,;.54,-17.1,;1.88,-17.87,;1.88,-19.41,;3.21,-17.1,;4.55,-17.87,;5.88,-17.1,;7.21,-17.87,;8.55,-18.64,;9.88,-17.87,;11.21,-18.64,;12.62,-18.02,;12.94,-16.51,;14.41,-16.03,;14.73,-14.53,;13.58,-13.5,;16.19,-14.05,;16.51,-12.55,;17.98,-12.07,;18.3,-10.56,;19.76,-10.09,;20.9,-11.12,;20.58,-12.62,;19.12,-13.1,;13.65,-19.16,;15.18,-19,;12.88,-20.49,;11.38,-20.17,;10.23,-21.2,)|
OC(COc1cccc(c1)C(F)(F)F)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O |w:15.16,24.25|
OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |w:12.12|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 |r|
CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:11.12|
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |r|
CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC |w:8.7|
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCc3ccncc3)c2c1
Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCSCc3ccco3)c2c1
OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:10.9,15.14|
CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1 |w:2.1,12.12|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(O)=O |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCOCC1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCCC1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCC1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCCn2nc(C)nc2C)cc1 |c:2,4|
CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCCn2ccnn2)cc1 |c:2,4|
CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 |c:3,5|
CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1 |c:3,5|
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccc[nH]1
Cc1cc(C)c([nH]1)C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1
Cn1ccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1cccs1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccco1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccoc1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccno1
Cn1ccnc1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)C1CCCC1
O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccccc1
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(Br)cc2s1
Cc1cc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2cc1C
Cc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1
COc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(Cl)cc2s1
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(O)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(O)=O
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CN2CCOCC2)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2cncn2)C1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCN2CCOCC2)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2ccnn2)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=N)Nc1ccc(cc1)N1CCC(CCn2cncn2)CC1
Cc1nc(C)n(CCC2CCN(CC2)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cccn3C)cc2)n1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2cccn2)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCCn2cncn2)CC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCCn2ccnn2)CC1
CCn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCCCC1
CN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cccn2C)cc1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCCN1CCOCC1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCc1cccnc1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccc[nH]1
Cc1cc(C)c([nH]1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
Cn1ccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1cccs1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccco1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccoc1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccno1
Cn1ccnc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)C1CCCC1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccccc1
CC1C(=Cc2ccccc12)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 |c:2|
Fc1cccc(n1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1nc([nH]c1-c1ccc(nc1)-c1ccccc1)-c1ccccc1
Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1
Cc1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1ccccc1
COc1ccc(cc1OC)-c1ncc(cn1)-c1cnc([nH]1)-c1ccccc1
Fc1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccn1
c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
c1nc([nH]c1-c1cnc(nc1)-c1cccnc1)-c1cccnc1
c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccncc1
C(c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
C(=C/c1cccnc1)\c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C(Cc1cccnc1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C1CC(CCN1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C(N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
O=C(N1CCC(CC1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1)c1cccnc1
CC(C)(C)OC(=O)N1CCCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C1CNCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C(N1CCCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
OC(N1CCCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)C(F)(F)F
CNC(=O)N1CCCC(C1)c1nc(cn1C(=O)NC)-c1cnc(nc1)-c1ccccc1
FC(F)(F)C(=O)N1CCCC(C1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1
CC(C)(C)OC(=O)N1CCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
C1CC(CN1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Cn1cncc1-c1cnc(nc1)-c1ccccc1
C(c1ccccc1)n1cncc1-c1cnc(nc1)-c1ccccc1
C(c1ccccc1)n1cnc(c1)-c1cnc(nc1)-c1ccccc1
O(c1ccccc1)c1ncc(cn1)-c1cnc([nH]1)-c1ccccc1
C(c1ncc([nH]1)-c1cnc(Oc2ccccc2)nc1)c1ccccc1
O(c1ccccc1)c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
c1cc(n[nH]1)-c1cnc(nc1)-c1ccccc1
c1coc(n1)-c1cnc(nc1)-c1ccccc1
c1ccc(cc1)-c1ncc(cn1)-c1nnn[nH]1
C(c1ccccc1)n1c(cnc1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1nc([nH]c1-c1ccccc1)-c1cnc(nc1)-c1ccccc1
c1c(n[nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1nc(oc1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1nc(oc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1
c1sc(nc1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1
c1c(n[nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
CCOC(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
COC(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
OC(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
CN1CCN(CC1)C(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
Fc1cccc(c1)-c1nc(cs1)-c1cnc(nc1)-c1ccccc1
c1sc(nc1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
C(c1nc(cs1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
C1CC(CCN1)c1nc(cs1)-c1cnc(nc1)-c1ccccc1
CC(C)(C)OC(=O)c1csc(n1)-c1cnc(nc1)-c1ccccc1
OC(=O)c1csc(n1)-c1cnc(nc1)-c1ccccc1
COCCCNC(=O)c1csc(n1)-c1cnc(nc1)-c1ccccc1
O=C(NCCN1CCOCC1)c1csc(n1)-c1cnc(nc1)-c1ccccc1
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1 |r|
O=C(NCc1ccccc1)c1ccc(nc1)-c1cccs1
O=C(N1CCC2(CCc3ccccc23)CC1)c1ccc(nc1)-c1cccs1
OC(=O)c1ccc(CNC(=O)c2ccc(nc2)-c2cccs2)cc1
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)c2ccc(nc2)-c2cccs2)c2ccccc12
O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(nc1)-c1cccs1
C[C@H](NC(=O)c1ccc(nc1)-c1cccs1)c1ccc2ccccc2c1 |r|
O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc(nc1)-c1cccs1
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(C=O)s1 |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(Cl)s1 |r|
Cc1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(=O)c1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1sccc1Cl |r|
Cc1csc(c1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1ccsc1-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1)C(N)=O
C[C@H](NC(=O)c1ccc(nc1)-c1cc(C)cs1)c1ccc2ccccc2c1 |r|
CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccn2)c1
C[C@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O |r|
C[C@@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O |r|
Cc3nn(c2ncc(C(=O)N[C@@H]1CC[C@@H](C(C)(C)O)CC1)cn2)c4cc(F)ccc34
Cc3nn(c2ncc(C(=O)N[C@@H]1CC[C@@H](CC(C)(C)O)CC1)cn2)c4cnccc34
Cc3nn(c2ncc(C(=O)N[C@@H]1CC[C@@H](OCC(C)(C)O)CC1)cn2)c4ccccc34
CS(=O)(=O)CCCO[C@@H]4CC[C@@H](NC(=O)c3cnc(n2nc(C(F)F)c1ccccc12)nc3)CC4
Cc4nn(c3ncc(C(=O)NC12CC(C(C)(C)O)(C1)C2)cn3)c5cc(F)ccc45
CC(C)(O)[C@@H]4CC[C@@H](NC(=O)c3cnc(n2nc(C(F)F)c1ccncc12)nc3)CC4
Cc3nn(c2ccc(C(=O)N[C@H]1CC[C@H](OC(C)(C)CO)CC1)cc2)c4ccccc34
Cc3nn(c2ccc(C(=O)N[C@H]1CC[C@H](C(C)(C)O)CC1)cn2)c4ccccc34
CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc(-n3nc(Cl)c4ccccc43)nc2)CC1
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)cn2)c2ccccc12
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](C)CC3)cn2)c2ccccc12
CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc(-n3nc(Cl)c4ccccc43)nc2)CC1
COc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)cn2)c2ccccc12
Cc1nn(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cn2)c2cc(F)ccc12
Cc1nn(-c2ccc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cn2)c2cc(F)ccc12
Cc1nn(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cn2)c2c(F)cccc12
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)cn2)c2cccc(F)c12
CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc(-n3nc(C(F)(F)F)c4ccccc43)nc2)CC1
Cc1nn(-c2ccc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cn2)c2cccc(F)c12
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2F)c2ccccc12
Cc1nn(-c2ncc(C(N)=O)cc2F)c2ccccc12
Cc1nn(-c2ccc(C(=O)N[C@H]3CC[C@H](OC4CCS(=O)(=O)CC4)CC3)cn2)c2cc(F)ccc12
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cn2)c2c(C#N)cccc12
CC[C@H]1CC[C@H](NC(=O)c2cnc(-n3nc(C)c4ccc(F)cc43)nc2)CC1
Cc1nn(-c2ncc(C(=O)NC3CCCCC3)cn2)c2c(F)c(F)ccc12
Cc1nn(-c2ncc(C(=O)NC3CCCCC3)cn2)c2c(F)c(F)ccc12
Cc1nc([C@H]2CC[C@H](NC(=O)c3cnc(-n4nc(C)c5ccc(F)cc54)nc3)CC2)no1
Cc1nn(-c2ncc(C(=O)NC3CCCCC3)cn2)c2cnccc12
CC(=O)N1CCC[C@@H](NC(=O)c2cnc(-n3nc(C(F)F)c4ccccc43)nc2)C1
Cc1nn(-c2ncc(C(=O)N[C@H]3CC[C@@](C)(O)CC3)cn2)c2cc(F)ccc12
CC(C)(O)C(=O)N1CCC(NC(=O)c2cnc(-n3nc(C(F)F)c4ccc(F)cc43)nc2)CC1
CC(C)(O)C12CC(NC(=O)c3cnc(-n4nc(C(F)F)c5ccccc54)nc3)(C1)C2
COCCCNC(=O)c1nc(no1)-c1cccc2[nH]ccc12
CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
CN(C)CCCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
CC(C)(O)c1nc(no1)-c1ccc(CNC(=O)c2cnc(nc2)-c2ccccn2)cc1
COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Fc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
O=C(CCc1cccnc1)Nc1cncc(c1)-c1cccc2[nH]ccc12
CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
O=C(Nc1cncc(c1)-c1cccc2[nH]ccc12)[C@@H]1CCC(=O)N1 |r|
O=C(Cn1cnnn1)Nc1cncc(c1)-c1cccc2[nH]ccc12
O=C(CCN1CCCCC1)Nc1cncc(c1)-c1cccc2[nH]ccc12
Cn1cncc1CC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(Oc2ccccc2)nc1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCCC1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCC1
CN(C)c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCOCC1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCNCC1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCNC(=O)C1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1cc[nH]c(=O)c1
COc1cc(ccn1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1cccc(=O)[nH]1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccc(=O)[nH]c1
NC(=O)c1ccc(nc1)-c1cccc(F)c1
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccccc1
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O
COc1ccc(cc1)C(=O)c1cccs1
Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S(O)(=O)=O
O=C(c1cccs1)c1ccccc1
C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1
c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O
NC(=O)C(CCC(O)=O)NC(=O)c1cccc(c1)-c1cccc(O)c1
NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1
NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1O)-c1cccc(O)c1
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1cccc(O)c1
NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccc(O)c1
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(s1)-c1cccc(O)c1
NC(=O)C(Cc1ccc(O)cc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
NC(=O)C(Cc1ccccc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1
CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O
NC(=O)CNC(=O)c1ccc(s1)-c1cccc(O)c1
Oc1cccc(c1)-c1nc(cs1)C(=O)NC(c1ccccc1)c1ccccc1
Nc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Oc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
O=C(NCCN1CCOCC1)c1ccc(cc1)-c1nccc2ccccc12
O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccccn1
Cc1cc2ccccc2c(n1)-c1ccc(cc1)C(=O)NCCN1CCOCC1
Oc1ccc2ccccc2c1-c1ccc(cc1)C(=O)NCCN1CCOCC1
OCc1ccc2ccccc2c1-c1ccc(cc1)C(=O)NCCN1CCOCC1
NCc1ccc2ccccc2c1-c1ccc(cc1)C(=O)NCCN1CCOCC1
COc1ccccc1N1CCN(CC1)C(=O)c1ccc[nH]1
O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccccc1
Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
COc1ccc2n(NC(=O)c3cnc(nc3C)-c3ccccn3)cc(C)c2n1
CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(nc2C)-c2cccc(F)c2)c1
Cc1nc(ncc1C(=O)Nn1ccc2c(cccc12)C(F)(F)F)-c1ccccn1
Cc1cn(NC(=O)c2cnc(nc2C)-c2ccccn2)c2ccc(F)nc12
Cc1cn(NC(=O)c2cnc(nc2C)-c2ccccn2)c2ccc(F)cc12
CC(C)(CO)NS(=O)(=O)c1cccc(CNC(=O)c2cnc(nc2)-c2cccc(F)c2)c1
Cc1nc(ncc1C(=O)Nn1ccc2c(cccc12)C(F)(F)F)-c1ncccn1
O=C(Nc1ccc(cc1)N1CCCC1=O)c1cnc(nc1)-c1ccccn1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1
COc1ccc2cc(cnc2c1)C(=O)NCCN1CCNC1=O
COc1ccc2cc(cnc2c1)C(=O)NC(C)c1ccncn1
COc1ccc2cc(cnc2c1)C(=O)NCc1ccn[nH]1
COc1ccc2cc(cnc2c1)C(=O)Nc1nccs1
c1ccc2c(c1)cc(cn2)C#N
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:15.16,wD:17.20,(25.64,-23.98,;26.97,-24.75,;28.31,-23.98,;28.31,-22.44,;29.64,-21.67,;30.97,-22.43,;32.3,-21.66,;33.64,-22.42,;33.65,-23.97,;32.31,-24.74,;30.98,-23.98,;29.64,-24.76,;34.96,-21.64,;34.95,-20.1,;36.3,-22.4,;37.63,-21.62,;38.02,-20.14,;39.51,-20.52,;40.98,-20.56,;40.44,-19.25,;39.12,-22.01,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC)ccc2c1 |r,wU:7.10,wD:4.3,(81.55,-36.7,;80.22,-37.47,;78.88,-36.71,;78.87,-35.17,;77.55,-37.49,;76.21,-36.72,;74.88,-37.5,;74.9,-39.04,;76.23,-39.8,;77.56,-39.03,;73.57,-39.82,;72.23,-39.06,;72.22,-37.52,;70.91,-39.84,;70.92,-41.39,;69.58,-42.16,;68.25,-41.39,;66.91,-42.17,;65.58,-41.4,;64.24,-42.17,;62.91,-41.4,;65.58,-39.86,;66.91,-39.09,;68.25,-39.85,;69.57,-39.08,)|
COc1ccc2cc(cnc2c1)C(=O)NC1(C)CCNC1=O
CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(60.01,-18.28,;60.78,-19.61,;61.55,-18.27,;62.13,-20.38,;59.46,-20.39,;58.12,-19.63,;56.79,-20.41,;56.81,-21.94,;58.14,-22.71,;59.47,-21.93,;55.48,-22.72,;54.14,-21.96,;54.13,-20.42,;52.82,-22.74,;52.83,-24.29,;51.49,-25.06,;50.16,-24.3,;48.83,-25.08,;47.49,-24.31,;46.16,-25.07,;44.83,-24.3,;43.61,-23.6,;44.57,-22.72,;43.32,-24.88,;47.5,-22.76,;48.82,-21.99,;50.16,-22.75,;51.48,-21.98,)|
Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1
FC(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r|
FC(F)(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:15.16,wD:17.19,(25.64,-23.98,;26.97,-24.75,;28.31,-23.98,;28.31,-22.44,;29.64,-21.67,;30.97,-22.43,;32.3,-21.66,;33.64,-22.42,;33.65,-23.97,;32.31,-24.74,;30.98,-23.98,;29.64,-24.76,;34.96,-21.64,;34.95,-20.1,;36.3,-22.4,;37.63,-21.62,;38.02,-20.14,;39.51,-20.52,;40.27,-19.18,;41.05,-20.51,;39.12,-22.01,)|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:15.16,wD:17.19,(25.93,-15.18,;27.27,-15.96,;28.6,-15.19,;28.6,-13.64,;29.93,-12.87,;31.27,-13.64,;32.59,-12.86,;33.93,-13.62,;33.94,-15.17,;32.6,-15.95,;31.27,-15.18,;29.94,-15.96,;35.25,-12.84,;35.24,-11.3,;36.59,-13.6,;37.92,-12.82,;38.31,-11.34,;39.8,-11.72,;41.13,-10.94,;39.42,-13.21,)|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:15.16,wD:18.23,(2.46,-40.3,;3.79,-41.07,;5.13,-40.3,;5.13,-38.76,;6.46,-37.99,;7.8,-38.75,;9.12,-37.98,;10.46,-38.74,;10.47,-40.29,;9.13,-41.06,;7.8,-40.3,;6.46,-41.07,;11.78,-37.96,;11.77,-36.42,;13.12,-38.72,;14.45,-37.94,;14.43,-36.4,;15.76,-35.63,;17.1,-36.39,;17.11,-37.93,;15.78,-38.7,;18.43,-35.61,;18.43,-34.07,;19.75,-33.29,;20.95,-32.58,;21.26,-33.85,;19.99,-31.7,)|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)OCC(C)(C)O |r,wU:15.16,wD:18.23,(2.05,-27.36,;3.38,-28.14,;4.72,-27.37,;4.72,-25.82,;6.05,-25.05,;7.38,-25.82,;8.71,-25.04,;10.05,-25.8,;10.05,-27.35,;8.72,-28.13,;7.38,-27.36,;6.05,-28.14,;11.37,-25.02,;11.36,-23.48,;12.71,-25.78,;14.04,-25,;14.01,-23.47,;15.35,-22.69,;16.69,-23.45,;16.69,-24.99,;15.37,-25.77,;18.02,-22.68,;18.01,-21.14,;19.34,-20.35,;20.88,-20.35,;20.11,-21.69,;19.34,-18.82,)|
COc1ccc2cc(cnc2c1)C(=O)NC1CC2(C1)CC(C2)C(C)(C)O |(1.86,-17.99,;3.19,-18.77,;4.53,-18,;4.53,-16.45,;5.86,-15.68,;7.2,-16.44,;8.52,-15.67,;9.86,-16.43,;9.87,-17.98,;8.53,-18.76,;7.2,-17.99,;5.86,-18.77,;11.19,-15.65,;11.17,-14.11,;12.53,-16.41,;13.86,-15.63,;15.34,-16.02,;15.74,-14.52,;14.24,-14.14,;17.22,-14.92,;17.62,-13.43,;16.13,-13.03,;18.95,-12.66,;18.17,-11.32,;19.72,-11.32,;20.29,-13.43,)|
COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)c1nccs1
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CNC(=O)C1 |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@@H]1CNC(=O)C1 |r|
COc1ccc2cc(cnc2c1)C(=O)NC1CCc2ccccc12
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1[C@H](O)CNC1=O |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CONC1=O |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCOC1 |r|
COc1ccc2cc(cnc2c1)C(=O)N[C@H](C)C(N)=O |r|
COc1ccc2cc(cnc2c1)C(=O)NC1CCCNC1=O
COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)S(C)(=O)=O
COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)C(C)=O
COc1ccc2cc(cnc2c1)C(=O)NC1CCCCC1
COc1ccc2cc(cnc2c1)C(=O)NCc1cc[nH]c(=O)c1
COc1ccc2cc(cnc2c1)C(=O)NCc1cncnc1
COc1ccc2cc(cnc2c1)C(=O)NCc1ccncn1
COc1ccc2cc(cnc2c1)C(=O)NCc1nnn[nH]1
COc1ccc2cc(cnc2c1)C(=O)NCc1cn(C)cn1
COc1ccc2cc(cnc2c1)C(=O)NCc1ccn(C)n1
COc1ccc2cc(cnc2c1)C(=O)Nc1cc([nH]n1)-c1ccccc1
COc1ccc2cc(cnc2c1)C(=O)Nc1cc(C)[nH]n1
COc1ccc2cc(cnc2c1)C(=O)Nc1ccnn1C
COc1ccc2cc(cnc2c1)C(=O)Nc1cc[nH]n1
COc1ccc2cc(cnc2c1)C(=O)Nc1cn[nH]c1
COc1ccc2cc(cnc2c1)C(=O)NC(C)(C)C
COc1ccc2cc(cnc2c1)C(=O)NC(C)C
CCNC(=O)c1cnc2cc(OC)ccc2c1
CNC(=O)c1cnc2cc(OC)ccc2c1
COc1cccc2cc(cnc12)C#N
COc1ccc2cc(cnc2c1)C#N
COc1ccc2cc(cnc2c1)C(=O)N(C)C
COc1ccc2cc(cnc2c1)C(=O)NCc1cnccn1
COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)c1nnnn1C
COc1ccc2cc(cnc2c1)C(=O)Nc1cc([nH]n1)C1CC1
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(62.72,-30.6,;64.05,-31.37,;65.39,-30.6,;65.39,-29.06,;66.72,-28.29,;68.05,-29.05,;69.38,-28.28,;70.71,-29.04,;70.72,-30.59,;69.39,-31.36,;68.05,-30.6,;66.72,-31.37,;72.04,-28.26,;72.02,-26.72,;73.38,-29.02,;74.7,-28.24,;74.68,-26.71,;76.01,-25.93,;77.35,-26.69,;77.36,-28.23,;76.04,-29.01,;78.68,-25.91,;77.91,-24.57,;79.45,-24.57,;80.02,-26.68,)|
COc1ccc2cc(cnc2c1)C(=O)N[C@@H]1CCNC1=O |r|
COc1ccc2cc(cnc2c1)C(=O)NC1CCCC1
COc1ccc2cc(cnc2c1)C(=O)N[C@@H](C)C(N)=O |r|
COc1ccc2cc(cnc2c1)C(=O)NC1CCOCC1
COc1ccc2cc(cnc2c1)C(=O)NCc1ccccc1
COc1ccc2cc(cnc2c1)C(=O)Nc1nccn1C
COc1ccc2cc(cnc2c1)C(N)=O
Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1
COc1ccc2cc(cnc2c1)C(=O)N[C@@H]1C[C@H](O)C1 |r,wU:15.16,17.19,(25.43,-7.2,;26.76,-7.98,;28.1,-7.21,;28.1,-5.66,;29.43,-4.89,;30.76,-5.66,;32.09,-4.88,;33.42,-5.64,;33.43,-7.19,;32.1,-7.97,;30.76,-7.2,;29.43,-7.98,;34.75,-4.86,;34.74,-3.32,;36.09,-5.62,;37.42,-4.84,;38.91,-5.23,;39.3,-3.74,;40.62,-2.96,;37.81,-3.36,)|
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:15.16,wD:18.21,(3.36,-7.89,;4.69,-8.66,;6.02,-7.89,;6.03,-6.35,;7.36,-5.58,;8.69,-6.34,;10.02,-5.57,;11.35,-6.33,;11.36,-7.88,;10.03,-8.65,;8.69,-7.89,;7.36,-8.66,;12.68,-5.55,;12.67,-4.01,;14.02,-6.31,;15.35,-5.53,;15.32,-3.99,;16.66,-3.21,;17.99,-3.98,;18.76,-2.64,;19.53,-3.97,;18,-5.52,;16.68,-6.29,)|
COc1ccc2cc(cnc2c1)C(=O)NC1CCNCC1
COc1ccc2cc(cnc2c1)C(=O)NC1C(=O)Nc2ccccc12
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCN(C)C1=O |r|
COc1ccc2cc(cnc2c1)C(=O)NCC(N)=O
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:15.16,wD:18.20,(63.3,-6.31,;64.63,-7.08,;65.97,-6.31,;65.97,-4.77,;67.3,-4,;68.64,-4.76,;69.96,-3.99,;71.3,-4.75,;71.31,-6.3,;69.97,-7.07,;68.64,-6.3,;67.3,-7.08,;72.62,-3.97,;72.61,-2.43,;73.96,-4.73,;75.29,-3.95,;75.27,-2.41,;76.6,-1.63,;77.94,-2.4,;79.27,-1.62,;77.95,-3.94,;76.62,-4.71,)|
COc1ccc2cc(cnc2c1)C(=O)NC(C)c1cnccn1
COc1ccc2cc(cnc2c1)C(=O)NCc1nnc[nH]1
COc1ccc2cc(cnc2c1)C(=O)NCc1ccnn1C
COc1ccc2cc(cnc2c1)C(=O)Nc1ccn(C)n1
COc1ccc2cc(cnc2c1)C(=O)Nc1ncc[nH]1
CNC(=O)c1cnc2c(OC)cccc2c1
CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(CC4)C(=O)C4CCN(CC4)c4ccc(NC(=O)c5cnc(Oc6ccccc6)nc5)cc4)c3C2=O)C1=O
O=C(CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cc1
CON(C)C(=O)c1[nH]c(C)c(c1C)-c1nc2cc(ccc2[nH]1)C(=O)c1ccccc1
c1nc(sc1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
CC(C)(O)c1nc(no1)-c1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
CC(C)(O)c1nc(no1)-c1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccn1
CC(C)(O)c1nc(no1)-c1cccc(c1)-c1ncc([nH]1)-c1ccc(nc1)-c1ccccn1
CC(C)(O)c1nc(no1)-c1cccc(c1)-c1ncc([nH]1)-c1ccc(nc1)-c1ccccc1
c1nc([nH]c1-c1cnc(nc1)-c1ccccn1)-c1ccccc1
c1nc([nH]c1-c1ccc(nc1)-c1ccccn1)-c1ccccc1
CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccc2)c1
CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2ccc(nc2)-c2ccccn2)c1
CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2ccc(nc2)-c2ccccc2)c1
O=C(NCc1ccccc1)c1cnc(nc1)-c1ccccc1
O=C(NCc1ccccc1)c1cnc(nc1)-c1ccccn1
O=C(NCc1ccccc1)c1ccc(nc1)-c1ccccn1
O=C(NCc1ccccc1)c1ccc(nc1)-c1ccccc1
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r,wU:7.10,wD:4.3,(2.48,-1.86,;3.3,-3.17,;4.02,-1.8,;2,-3.99,;4.67,-3.9,;4.72,-5.44,;6.09,-6.16,;7.39,-5.34,;7.33,-3.8,;5.97,-3.08,;8.76,-6.06,;10.06,-5.24,;10,-3.7,;11.42,-5.96,;11.48,-7.5,;12.83,-8.21,;14.13,-7.39,;15.61,-7.81,;16.46,-6.54,;15.52,-5.33,;14.08,-5.86,;12.72,-5.13,;18,-6.48,;18.81,-7.79,;20.35,-7.73,;21.08,-6.37,;20.25,-5.06,;18.71,-5.12,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(23.28,-2.13,;24.11,-3.43,;24.83,-2.06,;22.81,-4.26,;25.48,-4.17,;25.53,-5.7,;26.9,-6.43,;28.2,-5.61,;28.14,-4.06,;26.78,-3.35,;29.56,-6.33,;30.87,-5.5,;30.81,-3.96,;32.23,-6.22,;32.29,-7.76,;33.64,-8.47,;34.94,-7.66,;36.42,-8.08,;37.27,-6.8,;36.33,-5.6,;34.89,-6.12,;33.53,-5.4,;38.81,-6.75,;39.62,-8.05,;41.16,-8,;41.88,-6.64,;41.06,-5.33,;41.77,-3.96,;39.52,-5.39,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1 |r,wU:7.10,wD:4.3,(24.97,-11.42,;25.8,-12.73,;26.52,-11.36,;24.5,-13.55,;27.17,-13.46,;27.22,-15,;28.58,-15.72,;29.89,-14.9,;29.83,-13.36,;28.47,-12.64,;31.25,-15.62,;32.55,-14.8,;32.49,-13.26,;33.92,-15.52,;33.97,-17.06,;35.33,-17.77,;36.63,-16.95,;38.1,-17.37,;38.96,-16.1,;38.01,-14.89,;36.57,-15.42,;35.22,-14.69,;40.5,-16.04,;41.31,-17.35,;42.85,-17.29,;43.57,-15.93,;45.11,-15.87,;42.74,-14.62,;41.21,-14.69,)|
CCN1CCC(CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1
FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1
CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r|
CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1cccc(F)c1 |r|
CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ccc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(32.28,-11.78,;31.52,-13.11,;33.06,-13.1,;31.53,-14.65,;30.2,-12.34,;30.2,-10.8,;28.86,-10.03,;27.54,-10.8,;27.53,-12.34,;28.86,-13.11,;26.2,-10.04,;24.87,-10.81,;23.54,-10.04,;24.88,-12.35,;26.21,-13.11,;26.22,-14.66,;24.88,-15.44,;24.56,-16.95,;23.03,-17.12,;22.39,-15.7,;23.54,-14.67,;23.55,-13.12,;25.6,-18.09,;25.12,-19.55,;26.15,-20.69,;27.66,-20.37,;28.13,-18.89,;29.63,-18.56,;27.09,-17.76,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(4.33,-9.7,;4.34,-8.16,;3,-8.92,;3.6,-6.81,;5.88,-8.2,;6.63,-9.55,;8.17,-9.58,;8.96,-8.26,;8.21,-6.91,;6.68,-6.88,;10.5,-8.28,;11.25,-9.63,;10.46,-10.95,;12.79,-9.66,;13.53,-11,;15.07,-11.02,;15.87,-9.71,;15.11,-8.37,;13.57,-8.34,;16.15,-7.24,;17.55,-7.87,;17.38,-9.4,;18.51,-10.44,;18.17,-11.94,;19.31,-12.98,;20.78,-12.52,;21.11,-11.01,;22.58,-10.54,;19.97,-9.98,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)N1CCc2c(C1)cnn2-c1ccccc1F |r,wU:7.10,wD:4.3,(24.54,-7.55,;24.55,-6,;23.21,-6.77,;23.81,-4.66,;26.09,-6.04,;26.84,-7.39,;28.38,-7.42,;29.17,-6.1,;28.42,-4.75,;26.89,-4.72,;30.71,-6.13,;31.46,-7.48,;30.66,-8.8,;33,-7.5,;33.74,-8.84,;35.28,-8.87,;36.08,-7.55,;35.32,-6.21,;33.78,-6.19,;36.36,-5.08,;37.76,-5.72,;37.58,-7.25,;38.72,-8.29,;38.38,-9.79,;39.52,-10.83,;40.99,-10.37,;41.32,-8.85,;40.18,-7.82,;40.51,-6.32,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)N1CCc2c(C1)cnn2-c1ccc(F)cc1 |r,wU:7.10,wD:4.3,(1.68,-20.07,;1.69,-18.53,;.35,-19.29,;.95,-17.18,;3.23,-18.56,;3.97,-19.91,;5.52,-19.95,;6.31,-18.63,;5.56,-17.28,;4.03,-17.25,;7.85,-18.65,;8.6,-20,;7.8,-21.32,;10.14,-20.03,;10.88,-21.37,;12.42,-21.39,;13.22,-20.08,;12.46,-18.74,;10.92,-18.71,;13.5,-17.6,;14.9,-18.24,;14.72,-19.77,;15.86,-20.81,;15.52,-22.31,;16.66,-23.35,;18.13,-22.89,;19.26,-23.93,;18.46,-21.38,;17.32,-20.34,)|
CS(=O)(=O)N1CCC(CC1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1
CS(=O)(=O)N1CC(C1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1
CC(C)(O)[C@H]1CC[C@H](CNC(=O)N2CCc3c(C2)cnn3-c2cccc(F)c2)CC1 |r,wU:7.7,wD:4.3,(23.24,-24.76,;24.57,-25.53,;25.37,-24.22,;23.23,-26.3,;25.32,-26.89,;24.52,-28.21,;25.27,-29.56,;26.8,-29.58,;27.55,-30.92,;29.09,-30.95,;29.84,-32.3,;29.04,-33.62,;31.38,-32.32,;32.12,-33.66,;33.66,-33.69,;34.46,-32.37,;33.7,-31.03,;32.16,-31.01,;34.74,-29.9,;36.14,-30.54,;35.97,-32.07,;37.1,-33.11,;36.76,-34.61,;37.9,-35.65,;39.37,-35.19,;39.7,-33.67,;41.19,-33.28,;38.56,-32.64,;27.6,-28.26,;26.86,-26.92,)|
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1
CCC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cnc(Oc2ccccc2)nc1
CN1C(=O)CCC(N2C(=O)c3cccc(N4CCN(CC4)C(=O)C4CCN(CC4)c4ccc(NC(=O)c5cnc(Oc6ccccc6)nc5)cc4)c3C2=O)C1=O
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)c1cnc(Oc2ccccc2)nc1
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ccccc2c1 |r,wU:7.10,wD:4.3,(5.23,3.36,;6,2.03,;6.77,3.36,;7.33,1.26,;4.66,1.26,;3.33,2.03,;1.99,1.26,;1.99,-.29,;3.33,-1.06,;4.66,-.29,;.66,-1.05,;-.67,-.29,;-.67,1.25,;-2.01,-1.05,;-2.01,-2.59,;-3.34,-3.36,;-4.67,-2.59,;-5.99,-3.36,;-7.33,-2.59,;-7.33,-1.07,;-6.01,-.29,;-4.67,-1.06,;-3.35,-.28,)|
COc1ccc2cc(ccc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1ccc2cc(nnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1ccc2CN(C=Nc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,c:8,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1ccc2nc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1cnc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-4.66,-3.36,;-3.34,-2.59,;-2.01,-3.36,;-.68,-2.59,;-.68,-1.05,;-2.02,-.28,;-3.34,-1.06,;-4.68,-.29,;-5.99,-1.07,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cnccc2c1 |r,wU:7.10,wD:4.3,(5.23,3.36,;5.99,2.03,;6.77,3.36,;7.33,1.26,;4.66,1.26,;3.33,2.03,;1.99,1.26,;1.99,-.28,;3.33,-1.05,;4.66,-.28,;.66,-1.05,;-.67,-.28,;-.67,1.25,;-2.01,-1.05,;-2.01,-2.59,;-3.34,-3.36,;-4.67,-2.59,;-5.99,-3.36,;-7.33,-2.59,;-7.33,-1.07,;-6.01,-.29,;-4.67,-1.06,;-3.35,-.28,)|
COc1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
COc1ncc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.32,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.32,2.03,;6.55,3.36,;8.1,3.36,;8.66,1.26,)|
CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O
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