1744 SMILES Strings for Protein kinase C alpha type

Compound Name
SMILES String
Nc1ncnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1
Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12
N(c1[nH]nc2ncnc(Nc3ccccc3)c12)c1ccccc1
Clc1cccc(Nc2[nH]nc3ncnc(Nc4ccccc4)c23)c1
Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Br)c4)c23)c1
Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1
COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
CC(C)(C)OC(=O)Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
COc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
[O-][N+](=O)c1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Clc1cccc(Nc2[nH]nc3ncnc(Oc4cccc(Cl)c4)c23)c1
Clc1cccc(Nc2[nH]nc3ncnc(NCc4ccccc4)c23)c1
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|
CN1[C@@H]2CCC1C(NC(=O)c1ccc(O)cc1)[C@H](C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r,TLB:19:17:3.4:1,0:1:3.4:6.17.18,THB:7:6:3.4:1|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CNCC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCNC(=O)c1ccc(O)cc1
c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2ccccc2c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1
CN(C)C(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(COc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCCc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccnc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r|
COc1cccc(OC)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc2oc3cc(cc(O)c3c(=O)c12)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r|
OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Cc1cc(cc(C)c1C(=O)c1c(O)cccc1C(O)=O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
COc1cc(cc(OC)c1C(=O)c1c(O)cccc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
OC(=O)c1ccccc1NC(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)CN(C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1)c1ccccc1 |r|
OC(=O)c1ccccc1-c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r,wU:20.21,wD:24.27,(13.02,-5.22,;14.53,-5.22,;14.9,-3.9,;16.02,-6.07,;17.35,-5.3,;18.68,-6.07,;18.68,-7.61,;17.35,-8.38,;16.02,-7.61,;14.83,-9.27,;13.29,-9.27,;12.61,-7.85,;12.52,-10.6,;13.29,-11.94,;14.83,-11.94,;15.6,-10.6,;17.07,-10.6,;12.55,-13.18,;13.24,-14.3,;10.93,-13.17,;9.82,-13.9,;8.35,-13.42,;7.45,-14.67,;8.35,-15.92,;9.82,-15.44,;11.15,-16.1,;11.94,-17.44,;11.25,-18.76,;13.54,-17.42,;14.31,-16.09,;15.85,-16.09,;16.62,-17.42,;17.94,-17.42,;15.85,-18.76,;14.31,-18.76,)|
OC(=O)c1cccc(O)c1-c1ccc(cc1)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1Cc1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c23)c(O)c1 |r|
OC(=O)c1ccc2ccccc2c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc23)c(O)c1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C#N)c(O)c1 |r|
NCCOc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
CS(=O)(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1 |r|
CC(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|
Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(c(O)c1)-c1n[nH]c(=O)c2cccc(O)c12 |r,wU:14.16,wD:10.10,(17.01,-18.03,;15.69,-18.03,;14.92,-16.69,;13.38,-16.69,;12.61,-18.03,;13.38,-19.36,;14.92,-19.36,;11.01,-18.04,;10.33,-19.36,;10.22,-16.71,;8.89,-16.04,;7.43,-16.52,;6.52,-15.27,;7.43,-14.03,;8.89,-14.5,;10,-13.77,;11.63,-13.78,;12.2,-14.92,;12.37,-12.54,;11.6,-11.2,;12.37,-9.87,;11.69,-8.45,;13.91,-9.87,;14.68,-11.2,;16.15,-11.21,;13.91,-12.54,;14.58,-8.54,;13.25,-7.77,;13.25,-6.23,;14.58,-5.46,;14.58,-4.03,;15.91,-6.23,;17.25,-5.46,;18.58,-6.23,;18.58,-7.77,;17.25,-8.54,;17.23,-9.96,;15.91,-7.77,)|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCCCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(C)COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)OCC2CCCCC2)c(O)c1 |r|
CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(C)OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Clc1cccc(c1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12
[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c1
[O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
[#8-]-[#7+](=O)-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)ccc1-[#16]-c1ccc(Cl)cc1
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:9|
CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:9|
CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|
CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1 |c:5|
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CNCCC(Oc1ccccc1C)c1ccccc1
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
CCC(C)(CCOC(CO)COC(=O)CC(C)(CC)C(C)C)C(C)C
CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(C)=O |w:8.7|
CC1CC2(OC(C)=O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:10,18|
CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,1.1,(4.6,-3.38,;4.87,-1.86,;6.32,-1.34,;3.69,-.87,;2.92,.46,;1.38,.46,;.61,-.87,;1.38,-2.21,;2.92,-2.21,;-.93,-.87,;-1.7,.46,;-1.7,-2.21,;-3.24,-2.21,;-4.01,-3.54,;-5.55,-3.54,;-6.32,-2.21,;-5.55,-.87,;-4.01,-.87,)|
C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12
CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(=O)CC2C2C(C)(C)[C@@]12OC(=O)CCC |r,t:12|
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r|
CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1
CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16|
O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br
Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C |w:7.8,9.10|
CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C |w:12.12,5.5|
CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O |w:8.7|
CC(=C)Cn1c(O)csc1=NN=c1scc(O)n1C |w:11.11|
Cc1sc(=NN=c2scc(O)n2C)n(CC=C)c1O |w:5.4|
CC(=C)Cn1c(O)c(C)sc1=NN=c1scc(O)n1C |w:12.12|
CC(=C)Cn1c(O)c(O)sc1=NN=c1scc(O)n1C |w:12.12|
CC(=C)Cn1c(O)c(CO)sc1=NN=c1scc(O)n1C |w:13.13|
Cn1c(O)csc1=NN=c1sc(CC(O)=O)c(O)n1CC=C |w:7.8|
CC(=C)Cn1c(O)c(OS(O)=O)sc1=NN=c1scc(O)n1C |w:15.15|
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
c1cc2cnccc2c(c1)S(=O)(=O)NCCN
NCCNS(=O)(=O)c1cccc2ccncc12
c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[NH+](C)C |t:14|
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[N+](C)(C)C |t:14|
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)OC(C[NH+](C)C)C[NH+](C)C |t:14|
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)OC(C[NH+](C)C)C[N+](C)(C)C |t:14|
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[NH3+] |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NCC[NH+](C)C |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NCC[N+](C)(C)C |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OC(C[NH+](C)C)C[NH+](C)C |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OCC[NH+](C)CC[NH+](C)C |t:14|
CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OCC[NH+](C)CC[N+](C)(C)C |t:14|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccccc1)=C\C(=O)OC |r,t:36|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(Br)cc1)=C\C(=O)OC |r,t:36|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(cc1)-c1ccccc1)=C\C(=O)OC |r,t:36|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(CCCOCCOCC)cc1)=C\C(=O)OC |r,t:36|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(\C=C\CCCCCC)cc1)=C\C(=O)OC |r,t:36|
CCCCCCCCCCCC\C=C\c1ccc(cc1)[C@@H]1C[C@@H]2CCO[C@@H](O2)\C=C\C(C)(C)[C@]2(O)O[C@@H](C\C(=C/C(=O)OC)[C@@H]2OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO1 |r,t:30|
CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |r,c:23,t:12|
CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43|
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(C)=O)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O |t:52|
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
COCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1C(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1OC(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)N1CCOCC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1csc(n1)N1CCOCC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)N1CCOCC1
Cc1nc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c2cc(F)ccc2n1
COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)C1CC(F)(F)C1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)C1CC1
COc1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F
CCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1Cl
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1F
N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 |r|
COc1ccnc(c1F)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1
COCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1F)C#N
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C#N
CCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C#N
COCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CCO)CC1)-c1ncccc1C(F)(F)F
N[C@H]1[C@H]2CO[C@@H]1CN(C2)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 |r|
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncnc2CCCCc12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncnc2sccc12
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CCO)CC1)-c1ncccc1F
CN(C)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(C#N)c1F
COCCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncnc2ccc(F)cc12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncnc2[nH]cc(F)c12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(c1)N1CCOCC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1
NC1CCN(CC1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ccnc(n1)N1CCOCC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)C1=CCOCC1 |t:38|
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccccc12)N1CCOCC1
Cn1ncc2c(ncnc12)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc2ccc(F)cc12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(n1)N1CCOCC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc2ccc(Cl)cc12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCC1
N[C@@H]1CCN(C[C@@H]1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F |r|
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]c(cc12)C(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1
CN(C)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1)C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCC(F)(F)CC1
CCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCOCC1
Cn1ccc2c(cccc12)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ncc12
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(C#N)c1C(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccc(F)cc12)N1CCOCC1
Cc1cc2c(cccc2[nH]1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
CCOc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)C(N)=O
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)C#N
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(N)ncc1Cl
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ccc12
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(cc(c1)C(F)(F)F)N1CCOCC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(Cl)c1C(F)(F)F
Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(cnc2N)-c2ncccc2OC(F)(F)F)n1
Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(cnc2N)-c2ncccc2C(F)(F)F)n1
COC1CN(CCC1N)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Cc1ccnc(c1F)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1
CCOc1ccnc(c1F)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(CO)c1C(F)(F)F
COCc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C(F)(F)F
CC1CN(CCO1)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F
CCOCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CCOCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1)-c1ncccc1C(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1)-c1ncccc1OC(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1cc2ccccc2c(n1)N1CCOCC1
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1nc(ccc1C(F)(F)F)N1CCOCC1
CC(C)Oc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C#N
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(OC2CC2)c1C#N
COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(N)(CO)CC2)c1C#N
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1C#N
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(OC(F)(F)F)c1C#N
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nccc(Oc2ccccc2)c1C#N
COc1cnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c(c1)C(F)(F)F
CC1(N)CCN(CC1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CC(O)C1
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CC1)C#N)-c1ncccc1OC(F)(F)F
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CC1)C#N)-c1ncccc1C(F)(F)F
CC1(N)CCN(CC1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F
C[C@@H]1COCCN1c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F |r|
C[C@H]1COCCN1c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F |r|
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1C2CCC1COC2
C[C@@]1(N)CCN(C[C@@H]1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F |r|
CCOc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C#N
Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CCO)C(F)C1)-c1ncccc1C(F)(F)F
COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(N)(CC#N)CC2)c1C#N
C[C@H](CO)Nc1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F |r|
C[C@@H](CO)Nc1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F |r|
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(NCCO)ccc1C(F)(F)F
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(OCCO)ccc1C(F)(F)F
COC1CN(C1)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F
NC1CCCN(C1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1C(F)(F)F
NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F
NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1
NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1
COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1
Nc1ncc(nc1C(=O)Nc1cnccc1N1CCNCC1)-c1ccccc1F
CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1
Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F
Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F
CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|
Cc1ccc(cc1)C#Cc1ccc(\C=C2/CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1
CC(C)C(C\C=C1\CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C
CCCC(CCC)\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O
CCCCCCCCC\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2cn(-[#6])c3ccccc23)[#8]-[#6]-1=O
Cc1ccc(cc1)C#Cc1ccc(C=C2CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
CCOc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(c1)C(=O)NCc1ccccc1)N\N=C1/CCCc2cnccc12
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
COc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
COc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
COc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
NS(=O)(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
C(Nc1cccc(Oc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Nc1cccc(OCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Cc1ccccc1)Oc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(Nc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CN(Cc1ccccc1)C(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1NC(=O)Cc1ccccc1
O=C(NCc1ccccc1)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Cc1cc(ccn1)-c1n[nH]c(CNc2ccc(Cl)cc2)n1
Cc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
OCc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCCCc2ccccc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(n[nH]2)-c2ccncc2)c1
Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2cc(on2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(no2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(c[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nnc(o2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(no2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2csc(n2)-c2ccncc2)c1
COc1ccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)cc1
COc1cccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)c1
Clc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F
COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CC(C)n1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
OCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCc2ccccc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(c[nH]2)-c2ccncc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2nc(cs2)-c2ccncc2)c1
COc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2cccc(c2)C(F)(F)F)nnc1-c1ccncc1
CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
COCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
O=C(CNc1cccc(Oc2ccccc2)c1)N\N=C1/CCCc2cnccc12
C(Nc1ccccc1)c1nc(n[nH]1)-c1ccncc1
Clc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
NS(=O)(=O)c1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
C(Nc1cccc(SCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CC(=O)Nc1cc(NCc2nc(n[nH]2)-c2ccncc2)ccc1Cl
O=C(Cc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1)NCc1ccccc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccn3)OC2=O)c2ccccc12
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)|
CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2csc3ccccc23)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1
COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1
CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccccn2)C(=O)O1
Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(ccc12)[N+]([O-])=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2cn(CC3CC3)c3ccccc23)C(=O)O1
COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1
Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1
Cn1nc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
CCCCn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12
CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1
Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc12
COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(ccc12)[N+]([O-])=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2coc3ccccc23)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
COc1ccc2CN(C(=O)c2c1)c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-n1cnc2ccc(nc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CN(Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12)C(C)=O
COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-c1cnc2ccc(cn12)-c1ccnc2[nH]ccc12
COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-c1cnn2ccc(nc12)-c1ccnc2[nH]ccc12
COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12
COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4cc(O)ccc4[nH]c3c12 |r|
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H](C[C@@H](N)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
[H][C@]12C[C@H](NC(C)=O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](O)([C@@H](O)[C@@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13 |r|
COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21
[H][C@]12C[C@](O)([C@@H](O)[C@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13 |r|
[H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OC(F)(F)F)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3NCCO |r,TLB:5:3:34:6.31.30,THB:2:1:35.3.5:31,2:3:31:1.34.30,36:35:34:6.31.30,36:35:31:1.34.30,36:35:5.6.31:1.34.2,5:6:34:35.3.2|
Cc1cc(N)c2ccccc2[n+]1C
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
CCCC\C=C\CCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(N)c2ccccc2[n+]1CCCCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(N)c2ccccc2[n+]1CCCCC=C/CCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(N)c2ccccc2[n+]1CCCCCCCC[n+]1c(C)cc(N)c2ccccc12
Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N
Cc1cc(N)c2ccccc2[n+]1CCCCC=CCCCC[n+]1c(C)cc(N)c2ccccc12
OC(=O)C1C=CC=C(O)C1C(=O)c1ccc(cc1O)C(=O)OC1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |c:4,t:6|
OC(=O)C1C=CC=C(O)C1C(=O)c1ccc(cc1O)C(=O)OC1CCCOC[C@H]1NC(=O)c1ccc(O)cc1 |c:4,t:6|
OC(=O)C1C=CC=C(O)C1C(=O)c1ccc(cc1O)C(=O)OC1CCCSC[C@H]1NC(=O)c1ccc(O)cc1 |c:4,t:6|
OC(=O)C1C=CC=C(O)C1C(=O)c1ccc(cc1O)C(=O)OC1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1 |c:4,t:6|
CCCCCCCCCCCCCCCC[C@]1(OC)OO[C@H](CC(=O)OC)C=C1 |r,c:27|
[H][C@@]1(O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)OC[C@@H](O)[C@H](O)[C@H]1O |r|
Oc1ccc(CC\C=C\C(=O)CCc2ccc(O)c(O)c2)cc1O
O[C@H](CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 |r|
O[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 |r|
[H][C@@]1(O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
OCCN(CCO)S(=O)(=O)c1cccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/N(CCO)CCO |r|
OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1
OCC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(O)COC(=O)c1ccccc1
CC(=O)OC[C@@]1(C)C(CC[C@]2(C)[C@H](CC(OC(C)=O)C3=CCOC3=O)[C@](C)(CO)CC[C@@H]12)OC(C)=O |t:19|
[H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r|
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1
CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(C)=O
CCCCCCCCCCC[C@@H]1[C@@H]2C(=O)OC[C@]2(CO)OC1=O
CCCCCCCCCCC[C@H]1[C@H]2C(=O)OC[C@@]2(CO)OC1=O
CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
CCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCC\C=C1\C(=O)O[C@@H](CO)[C@@]11CCC(=O)O1
CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCC1C(=O)O[C@@H](CO)[C@@]11CCC(=O)O1
CCCCCCCCCCCCCC(=O)C1CC(=O)O[C@H]1CO
CCCCCCCCCCCCCC(=O)O[C@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCC[C@H]1[C@@H]2[C@H](OC1=O)[C@@H](CO)OC2=O
CCCCCCCCCCCC[C@H]1[C@H]2OC(=O)C[C@@]2(CO)OC1=O
CCCCCCCCCCCCCC(=O)O[C@H]1CC(=O)O[C@@H]1CO
CC(=O)O[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@@H]1CO
CCCC\C=C/CCCCCCC\C=C1/CC(CO)(COC(C)=O)OC1=O
CCCCCCCCCCCCCC(=O)OCC1(CO)COC(=O)C1
CCCCCCCC\C=C/CCCCCCCC(=O)OCC1(CO)CCC(=O)O1
CCCCCCCCCCCCCC(=O)OCC1(CO)CCC(=O)O1
CCCCCCCCCCCCC\C=C1/C(=O)OCC1(CO)COC(C)=O
CCCCCCCCCCCCC\C=C1\CC(CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1/CC(CO)(COC(C)=O)OC1=O
CCCCCCCCCCCCC\C=C1\C(=O)OCC1(O)COC(C)=O
CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OC1=O
CCCCCCCCCCCCCC(=O)OC[C@]1(CO)CCC(=O)O1
CCCCCCCC\C=C/CCCCCCC\C=C1/C[C@@](CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1\C[C@@](CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1\CC(CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1\C[C@](CO)(OC1=O)\C=C1/CCOC1=O
CCCCCCCC\C=C/CCCCCCCC\C=C1\C[C@](CO)(OC1=O)\C=C\C(=O)OC
CCCCCCCCCCCCCCOC(=O)CC[C@@]1(CO)CCC(=O)O1
CCCCCCCC\C=C/CCCCCCCC\C=C1/C[C@@](CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1\C[C@](CO)(OC1=O)\C=C1\CCOC1=O
CCCCCCCC\C=C/CCCCCCCC\C=C1/C[C@](CO)(OC1=O)\C=C\C(=O)OC
CCCCCCCCCCCCCCOC(=O)\C=C\[C@]1(CO)CCC(=O)O1
CCCCCCCCCCCCCCOC(=O)CC[C@]1(CO)CCC(=O)O1
CCCCCCCC\C=C/CCCCCCCC\C=C1\C[C@@](CO)(COC(C)=O)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1/C[C@](CO)(OC1=O)\C=C1/CCOC1=O
CCCCCCCCCCCCCCOC(=O)\C=C\[C@@]1(CO)CCC(=O)O1
CCCCCCCCCCCCCCOC(=O)CCC1(CO)CCC(=O)O1
CCCCCCCC\C=C/CCCCCCC\C=C1/C[C@](CO)(OC1=O)\C=C1\CCOC1=O
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Cc1[nH]c2ncnc(Nc3cccc(F)c3)c2c1C
Cc1c([nH]c2ncnc(Nc3cccc(Cl)c3)c12)-c1ccccc1
Brc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Clc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Cc1[nH]c2ncnc(Nc3cccc(C)c3)c2c1C
C1CCc2c(C1)[nH]c1ncnc(Nc3ccccc3)c21
Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
Cc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNS(=O)(=O)c3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNCc3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NCc3c21
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)N(N)C(=O)c3c3c4ccccc4[nH]c3c12
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)N(NC=O)C(=O)c3c3c4ccccc4[nH]c3c12
COC1C(CO)OC(C(O)C1O)n1c2c(Cl)cccc2c2c3C(=O)N(NC=O)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12
Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)N(NC=O)C(=O)c3c21
ON1C(=O)c2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
COC1C(O)C(O)C(OC1CO)n1c2c(Cl)cccc2c2c3C(=O)NCc3c3c4cccc(Cl)c4[nH]c3c12
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)N(O)C(=O)c3c3c4ccccc4[nH]c3c12
NN1C(=O)c2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
OC1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12
OCCN1C(=O)c2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
NN1C(=O)c2c(C1=O)c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21
Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21
COC1C(CO)OC(C(O)C1O)n1c2c(Cl)cccc2c2c3C(=O)N(O)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12
O=CNN1C(=O)c2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12 |r|
NNC(=O)NN1C(=O)c2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
COC1C(CO)OC(C(O)C1O)n1c2c(Cl)cccc2c2c3C(=O)N(N)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12
CCCCCCCCCCCCCCOC(=O)C[C@@]1(CCO)COC(=O)C1
CCCCCCCCCCCCCCOC(=O)C[C@]1(CCO)COC(=O)C1
CCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@H]1CCC(=O)O1
CCCCCCCCCCCCCCOC(=O)C[C@@]1(CO)COC(=O)C1
CCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H]1CCC(=O)O1
CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
O[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCN(CC2)C[C@H]1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:31.35,(5.05,-.22,;5.83,-1.57,;7.37,-1.57,;4.73,-2.67,;3.19,-2.67,;2.43,-4.01,;3.2,-5.33,;4.73,-5.33,;3.96,-6.66,;5.5,-4.01,;7.05,-4.01,;7.82,-2.67,;7.82,-5.34,;9.36,-5.33,;10.12,-3.98,;10.13,-6.66,;9.36,-8,;7.82,-8,;7.05,-6.67,;5.95,-7.76,;10.13,-9.34,;9.36,-10.69,;11.68,-9.34,;12.44,-10.37,;11.84,-11.54,;13.1,-11.2,;13.44,-12.46,;14.69,-12.12,;13.59,-13.01,;12.38,-12.68,;14.67,-10.97,;13.71,-10.12,;14.36,-8.72,;15.9,-8.71,;16.67,-10.04,;16.66,-7.37,;18.2,-7.37,;18.97,-6.04,;18.19,-4.7,;18.95,-3.35,;16.63,-4.71,;15.88,-6.06,)|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@H]1NC(=O)c1ccc(O)cc1
CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CNC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@H]1NC(=O)c1ccc(O)cc1
COC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO
CN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c1c1[nH]c3ccccc3c21
CN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
COC1C(CO)OC(C(O)C1O)n1c2c(Cl)cccc2c2c3C(=O)N(C)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12
CC1OC(C(O)C(O)C1O)n1c2ccccc2c2c3C(=O)N(C)C(=O)c3c3c4ccccc4[nH]c3c12
COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)N(C)C(=O)c3c3c4ccccc4[nH]c3c12
CCCCCCCCCCCCCCS(=O)(=O)OCC1(CO)CCC(=O)O1
CCCCCCCCCCCCC\C=C1/CC(CO)(COS(C)(=O)=O)OC1=O
CCCCCCCCCCCCCC(=O)OCC1(CO)CCS(=O)(=O)O1
CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OS1(=O)=O
CCCCCCCCCCCCC\C=C1/CC(CO)(COCC)OC1=O
CCCCCCCCCCCCC\C=C1\CC(CO)(COCC)OC1=O
CCCCCCCCCCCCC\C=C1\COC(CO)(COC(C)=O)C1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@@H](CO)C[C@]3(C)[C@H]1CC2
CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@H](CO)C[C@]2(C)C1
CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
CCCCC1(CCCC)CC[C@H]2[C@H](C)C(=O)N[C@H](CO)C[C@]2(C)C1
CCCCCCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
CCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@@H](CO)C[C@]2(C)C1
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@H](CO)C[C@]3(C)[C@H]1CC2
COc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc12
COc1cc(O)c2c(c1)n(C)cc(-c1cccc(Cl)c1)c2=O
Oc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl
COc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
Oc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
OCCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)Nc4ccccc4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)CC#N)C(=O)c3c3c4cccc(O)c4[nH]c3c12
CCC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCC(O)=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(Nc4ccc(cc4)C(O)=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC(O)CNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Oc1cccc2c1[nH]c1c3[nH]c4c(O)cccc4c3c3C(=O)NC(=O)c3c21
CN(C)N1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
CNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Cc1ccc(cc1)S(=O)(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
CS(=O)(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
CCCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCc4cccc(O)c4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
NC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCCC#N)C(=O)c3c3c4cccc(O)c4[nH]c3c12
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)CO)C(=O)c3c3c4cccc(O)c4[nH]c3c12
CC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
CN(C)CC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)c4ccccc4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
CCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)c4ccccn4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)c2c1
CC(C)[C@@H]1N(C)c2ccccc2[C@@H](CO)NC1=O
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
NCC1(CCOCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ncc12
Cc1cc(cc(c1)C1(CN)CCC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12
NCC1(CCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
NCC1(COC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CCCCCCCCCCCCCC(=O)OC[C@]1(CO)CC[C@H](CC(=O)OC)O1
CCCCCCCCCCCCCCCCCCOC(=O)\C=C1/COC(CO)(COC(C)=O)C1
CCCCCCCCCCCCCCCCCCOC(=O)\C=C1\COC(CO)(COC(C)=O)C1
CCCCCCCCCCCCCC(=O)OC[C@]1(CO)CC[C@@H](CC(=O)OC)O1
CCCCCCCCCCCCCCOC(=O)C[C@H]1CC[C@@](CO)(COC(=O)CCCCC)O1
CCCCCCCCCCCCCCOC(=O)C[C@@H]1CC[C@@](CO)(COC(=O)CCCCC)O1
CCCCCCCCCCCCCC(=O)OCC1(CO)C\C(CO1)=C/C(=O)OC
CCCCCCCCCCCCCC(=O)OCC1(CO)C\C(CO1)=C\C(=O)OC
CCCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CCCCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CCCCCCCC\C=C/CCCCCCC\C=C1\C[C@](CO)(OC1=O)\C=C\C(=O)OC
CC(C)C(C\C=C1/CC(CO)(COC(C)=O)OC1=O)C(C)C
CCCCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#6](-[#6])-[#6](=[#6]\[#6]=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](-[#6])=O)[#8]-[#6]-1=O)\[#6](-[#6])-[#6]
CCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CCCCCCCCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCC(=O)OC[C@]1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1 |r|
CCCCCCCC(=O)OC[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1 |r|
[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]/[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
CCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
CCCCCCCCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
[#6]-[#6](-[#6])-[#6](=[#6]/[#6]=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](-[#6])=O)[#8]-[#6]-1=O)\[#6](-[#6])-[#6]
CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
CC(C)C(C\C=C1\CC(CO)(COC(C)=O)OC1=O)C(C)C
CCCCCCC\C=C/CCCCCCC\C=C1/C[C@](CO)(OC1=O)\C=C\C(=O)OC
C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]/[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CC(C)(C)C(=O)OCC(CO)OC(=O)C(C)(C)C
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@@H](CO)COC(C)=O
OC[C@@H](COC(=O)C12CC3CC(CC(C3)C1)C2)OC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:21.22.27,14:13:16:8.9.10,14:9:16:15.13.12,27:22:29:28.26.25,27:26:29:21.22.23,THB:23:22:28:29.24.25,12:13:8:16.11.10,12:11:8:15.13.14|
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC
CC(C)C(CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C\CC(C)C)C(=O)O1
CCCCCCC\C=C\CCCCCCC\C=C1\CC(CO)(COC(C)=O)OC1=O
CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CC(C)C\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CC(C)C
CCCCCCCCC\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O
CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CC(C)C
CCCCCCCCCCCCCC(=O)O[C@@H](CO)C1CCC(=O)O1
CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CC(C(C)C)C(C)(C)C
CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(C\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C
CCCCCCCC\C=C\CCCCCCCC(=O)OCC1(CO)CCC(=O)O1
CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CC(C)C
CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
CC(C)C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O
CC(C)C(C\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C
CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CC(C(C)C)C(C)C
CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C/CC(C)C)C(=O)O1
CC(C)C\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CC(C)C
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC
COc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc12
CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22|
CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]-[#8]-[#6](-[#6])=O)=[#6]\[#6]=[#6]\[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6@@H]-1-[#8])[#6@H](-[#6]-[#6]-[#6]-[#8])\[#6](-[#6]-[#6][C@]2([#6])[#8])=[#6](\[#6])-[#6]=O
C[C@H]1CC=C(C)[C@@H](\C=C\C(\C)=C/CC[C@@]2(CO)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O)C1(C)C |t:3|
CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)NC1=O)CC(C)C
CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)N(O)C1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)C(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)NC1=O)CC(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C
CC(C)CC(C\C=C1/CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1
[H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(O)ccc14)O3)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(OCc5ccccc5)ccc14)O3)O2 |r|
C\C=C\C=C\C(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccc(\C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2C[C@@H](CO)NC1=O
CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccccc3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccccc3)cc2C[C@@H](CO)NC1=O
[#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])-[#6]
CC(C)C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
[#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
CC(C)CC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CC(C)C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
CC(C)CC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
[#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](\[#6])-[#6])-[#6](=O)-[#8]1)-[#6](-[#6])-[#6]
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|
CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc23)c2ccccc12 |t:4|
CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCCCCCCCCCCN1[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2ccccc12
CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
CCCCCCCCCCc1ccc2C[C@@H](CO)OC(=O)[C@H](C(C)C)N(C)c2c1
CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
CN1CCOCCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:17|
CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|
CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|
OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
CCN1CCOCCN(CC)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:16|
CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)COCCOCCOCCOCCOCCOCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CCCCCCCCC(=O)Oc1ccc(C2[C@@H](CO)NC(=O)[C@@H]2C(C)C)c2ccccc12
CC(C)[C@@H]1N(C)c2ccc(NC(=O)COCCOCCOCCOCCOCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(O)c4ccccc34)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O
CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(=O)C(C)(C)C
CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OC(=O)CC=C
CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OCc1ccccc1
CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O
CCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O
CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
CCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O
COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(C)(=O)=O)c2ncccc12 |t:9|
OCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|
OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
CC(C)CC(C\C=C1/CC(CO)(COc2cc(C)on2)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(Cn2cc(nn2)-c2ccc(C)cc2)OC1=O)CC(C)C
CCCCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(cc2)-c2ccccc2)OC1=O
CCCCCCCC\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O
OCC1(COC(=O)c2ccccc2)C\C(=C\c2ccc(cc2)-c2ccccc2)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)-c2ccccc2)C\C(=C\c2ccc(cc2)-c2ccccc2)C(=O)O1
CCCCCCCC\C=C1\CC(CO)(COC(=O)Cc2ccccc2)OC1=O
CCCCCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(cc2)-c2ccccc2)OC1=O
CCCCCCCCC\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O
OCC1(COC(=O)Cc2ccccc2)C\C(=C\c2ccc(cc2)-c2ccccc2)C(=O)O1
CCCCCCCCC\C=C1\CC(CO)(COC(=O)Cc2ccccc2)OC1=O
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
CN1CCN(CCCn2nc(C3=C(C(=O)NC3=O)c3cn(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)CC1 |t:11|
O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCCC2)c2ccccc12 |c:5|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(C=C)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cncc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccccc3)c3ccccc23)c2ccccc12 |t:9|
O=C1NC(=O)C(=C1c1cn(-c2cccnc2)c2ccccc12)c1[nH]nc2ccccc12 |c:5|
O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCOCC2)c2ccccc12 |c:5|
CC(C)[C@@H]1N(C)c2cc(OCCCCCCSC(C)=O)ccc2C[C@@H](CO)NC1=O |r|
CC(C)[C@H]1N(C)c2cc(OCCCCCCCSC(C)=O)ccc2C[C@H](CO)NC1=O |r|
CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1
Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
CC(C)CC(C\C=C1\CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\COC(CO)(COC(=O)C(C)(C)C)C1)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\CCC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(OC1=O)\C=C\C(=O)OC(C)(C)C)CC(C)C
CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
CC(C)CC(C\C=C1/CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C
CC(C)CC(C\C=C1\CC(CO)(OC1=O)\C=C\C(=O)OC(C)(C)C)CC(C)C
CCCCCCCC(=O)OCC1(CO)CC\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
CC(C)CC(C\C=C1/CCC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CCCCCC(=O)OCC1(CO)CC\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1
CC(C)CC(C\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C
CC(C)CC(C/C=C/1\C[C@@](OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C
[#6]\[#6](-[#6])=[#6]/[#6]C1([#6]\[#6]=[#6](\[#6])-[#6])[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]1=O
CC(C)CCC1(CCC(C)C)CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O)CC(C)C
CCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
CCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1
CC(C)CC(C\C=C1/CC(CO)(OC1=O)\C=C/C(=O)OC(C)(C)C)CC(C)C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccccc2O)C(=O)O1)C(C)C
COc1ccccc1\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
COc1cccc(\C=C2/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)c1
COc1ccc(\C=C2/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)cc1
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
CC(C)C(C\C=C1\CC(CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C
CCCCCCCCC\C=C1\CC(CO)(COC(=O)C2CCCCC2)OC1=O
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2cccc(O)c2)C(=O)O1)C(C)C
CCCCCCCCC\C=C1/CC(CO)(COC(=O)C2CCCCC2)OC1=O
CCCCCC\C=C1/CC(CO)(COC(=O)CCCc2ccccc2)OC1=O
CCCCCCC\C=C1\CC(CO)(COC(=O)CCc2ccccc2)OC1=O
CCCCCCC\C=C1/CC(CO)(COC(=O)CCc2ccccc2)OC1=O
CC(C)C(C\C=C1\CC(CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C
COc1ccccc1C(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(C\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O)C(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2ccccc2)OC1=O)C(C)C
CC(C)C(C\C=C1\CC(CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C
COc1ccccc1C(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(C\C=C1\CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(CC(=O)OCC1(CO)C\C(=C/Cc2ccccc2)C(=O)O1)C(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C
COc1cccc(c1)C(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(CC(=O)OCC1(CO)C\C(=C/CCc2ccccc2)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccccc2)C(=O)O1)C(C)C
COc1cccc(c1)C(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C
CCCCCCCCC\C=C1/CC(CO)(COC(=O)c2ccccc2)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)CCCc2ccccc2)OC1=O
CCCCCCCC\C=C1/CC(CO)(COC(=O)Cc2ccccc2)OC1=O
CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r|
[H][C@@]12C[C@@H](CCCCc3ccccc3)O[C@@](C1)(OCCC(=O)O[C@@H](CO)CC(=O)O2)C(C)C |r|
[H][C@@]12CCC(C)(C)[C@]([H])(C[C@@H](CCCCCCc3ccccc3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
CC(C)CC(C\C=C1\OC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
CC(C)C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|
CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
CC(C)C\C=C1\OC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|
CC(C)CC(C\C=C1\OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C |w:9.11|
Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1
Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ccncc1N1CCC(N)CC1
Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1cccnc1N1CCC(N)CC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1
NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1
Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)(F)C1
Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)[C@@H]2N
CNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1
CO[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC[C@@H]1N
CCCCCCn1cc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
CCCCCCn1cc2CC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2cc1ccc2Cl
CC1(C)NC(=O)c2ccc3cc2N1CCCCOc1ccnc2[nH]c(=O)n-3c12
CC1(C)NC(=O)c2ccc3cc2N1CCCOc1ccnc2[nH]c(=O)n-3c12
CC1(C)NC(=O)c2ccc3nc2N1CCCCOc1ccnc2[nH]c(=O)n-3c12
CC1(C)NC(=O)c2ccc3nc2N1CCCOc1ccnc2[nH]c(=O)n-3c12
CC1CCN2c3nc(ccc3C(=O)NC2(C)C)-n2c(=O)[nH]c3nccc(c32)O1
CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc(C(N)=O)c1n2
NC(=O)c1ccc2nc1OCCCCOc1ccnc3[nH]c(=O)n-2c13
CC1CCCOc2nc(ccc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCC(C)Oc2ccnc3[nH]c(=O)n(c23)-c2nc(c(C(N)=O)cc2F)O1
NC(=O)c1cc(-c2ncc[nH]2)c2nc1OCCCCOc1ccnc3[nH]c(=O)n-2c13
CC1CCCOc2nc(c(-c3ccn[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCCOc2nc(c(-c3cnc[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2nc(c(C(N)=O)cc2-c2ncc[nH]2)O1
CC1CCCOc2nc(c(-c3nnc[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
O=c1[nH]c2nccc3c2n1-c1cccc(n1)OCCCCO3
CC1CCCOc2cccc(n2)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2cccc(n2)O1
CC1CC(C)Oc2ccnc3[nH]c(=O)n(c23)-c2cccc(n2)O1
O=c1ccn2c3nc(ccc13)-n1c(=O)[nH]c3nccc(c31)OCCCC2
CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc3c(=O)ccn1c3n2
CC1CCCn2ccc(=O)c3ccc(nc32)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCC(C)n2ccc(=O)c3ccc(nc32)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCC(C)n2ccc(=O)c3cc(F)c(nc32)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCn2ccc(=O)c3cc(F)c(nc32)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCN(C)c2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCOc2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc3nccc1c3n2
CC1CCC(C)c2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCN(C)c2ccnc3cc(F)c(nc23)-n2c(=O)[nH]c3nccc(c32)O1
CC1CCN(C)c2c(F)cnc3cc(F)c(nc23)-n2c(=O)[nH]c3nccc(c32)O1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
O=C1c2ccccc2-c2n[nH]c3cccc1c23
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)c3ccccc3C)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(C)cc3)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)[N+]([O-])=O)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)C(F)(F)F)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)c3ccccc3)OC2=O)cc1
COc1ccc(\C=C2\CC(CO)(COC(=O)C3CCCCC3)OC2=O)cc1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(OC)cc2)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C\c2ccc(OC)cc2)C(=O)O1
CC(C)c1cc(C(C)C)c(C(=O)OCC2(CO)C\C(=C\c3ccc(cc3)N(C)C)C(=O)O2)c(c1)C(C)C
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccccc3C)OC2=O)cc1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
CC(C)C(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
CC(C)c1cc(C(C)C)c(C(=O)OCC2(CO)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C(=O)O2)c(c1)C(C)C
Cc1cc(C)c(C(=O)OCC2(CO)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C(=O)O2)c(C)c1
Cc1ccccc1C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Cc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)C(F)(F)F)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
OCC1(COC(=O)c2ccccc2)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
OCC1(COC(=O)C2CCCCC2)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CC(C)c1cc(C(C)C)c(C(=O)OCC2(CO)C\C(=C\c3ccc(cc3)C(F)(F)F)C(=O)O2)c(c1)C(C)C
Cc1cc(C)c(C(=O)OCC2(CO)C\C(=C\c3ccc(cc3)C(F)(F)F)C(=O)O2)c(C)c1
Cc1ccccc1C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
Cc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)C(F)(F)F)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)c2ccccc2)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)C2CCCCC2)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)OC2=O)cc1
CCCCCC\C=C1\CC(CO)(COC(=O)CCCCCC)OC1=O
CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1)CC(C)(C)C
CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
CCC(C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1)c1ccccc1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
CC(CC(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1)CC(C)(C)C
CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)[N+]([O-])=O)OC2=O)cc1
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1)CC(C)(C)C
CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccc(cc2)[N+]([O-])=O)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccc(cc2)N(C)C)OC1=O
CC(CC(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1)CC(C)(C)C
CC(CC(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1)CC(C)(C)C
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
CC(C)(C)CC(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(Br)cc2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(Cl)cc2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(F)cc2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
OCC1(COC(=O)C(c2ccccc2)c2ccccc2)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Br)c2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)cc2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(F)(F)F)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1)c1ccccc1
CCC(C(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1)c1ccccc1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(F)c(Cl)c2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(F)cc2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(OC(F)(F)F)cc2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccccc2C(F)(F)F)C(=O)O1
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(C)cc3)OC2=O)cc1
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)C(F)(F)F)OC2=O)cc1
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccccc3)OC2=O)cc1
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)C3CCCCC3)OC2=O)cc1
CCCCCCC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)N(C)C)C(=O)O1
CC(C)c1cc(C(C)C)c(C(=O)OCC2(CO)C\C(=C\c3ccccc3)C(=O)O2)c(c1)C(C)C
Cc1cc(C)c(C(=O)OCC2(CO)C\C(=C\c3ccccc3)C(=O)O2)c(C)c1
Cc1ccccc1C(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
Cc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C\c2ccccc2)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)C(F)(F)F)C\C(=C\c2ccccc2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
OCC1(COC(=O)c2ccccc2)C\C(=C\c2ccccc2)C(=O)O1
OCC1(COC(=O)C2CCCCC2)C\C(=C\c2ccccc2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C\c2ccccc2)C(=O)O1
CC(C)c1cc(C(C)C)c(C(=O)OCC2(CO)C\C(=C\C3CCCCC3)C(=O)O2)c(c1)C(C)C
Cc1cc(C)c(C(=O)OCC2(CO)C\C(=C\C3CCCCC3)C(=O)O2)c(C)c1
Cc1ccccc1C(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
Cc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C\C2CCCCC2)C(=O)O1
OCC1(COC(=O)c2ccc(cc2)C(F)(F)F)C\C(=C\C2CCCCC2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
OCC1(COC(=O)c2ccccc2)C\C(=C\C2CCCCC2)C(=O)O1
OCC1(COC(=O)C2CCCCC2)C\C(=C\C2CCCCC2)C(=O)O1
CCCCC(CC)C(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
CCCCCCC(=O)OCC1(CO)C\C(=C\C2CCCCC2)C(=O)O1
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccccc2C)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccc(C)cc2)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccc(cc2)C(F)(F)F)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccc(OC)cc2)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)C2CCCCC2)OC1=O
CCCCC(CC)\C=C1\CC(CO)(COC(=O)C(CC)CCCC)OC1=O
CCCCCCC(=O)OCC1(CO)C\C(=C\C(CC)CCCC)C(=O)O1
CCCCCC\C=C1\CC(CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccccc2C)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(C)cc2)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(cc2)[N+]([O-])=O)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(cc2)C(F)(F)F)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(OC)cc2)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccc(cc2)N(C)C)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)C2CCCCC2)OC1=O
CCCCCC\C=C1\CC(CO)(COC(=O)C(CC)CCCC)OC1=O
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccccn2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccccn2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cccnc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cccnc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccncc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccncc2)C(=O)O1
COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cccnc2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccncc2)C(=O)O1
CCn1sc(=O)n(Cc2ccccc2)c1=O
CCOC(=O)Cn1sc(=O)n(-c2cccc(c2)C(=O)OCC)c1=O
CCOC(=O)Cn1sc(=O)n(CC(=O)N2CCCCC2)c1=O
CCOC(=O)Cn1sc(=O)n(-c2ccc(cc2)C(=O)OCC)c1=O
Fc1ccc(Cn2c(=O)sn(CCc3ccccc3)c2=O)cc1
ClCCn1c(=O)sn(-c2ccccc2)c1=O
NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
OCc1cc(cc(c1)C(=O)OCc1cccc(c1)C(F)(F)F)C(=O)OCc1cccc(c1)C(F)(F)F
CCCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCCC
CCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCC
CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CCO
CCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCC |c:24,t:13|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=CC14C3=O)C2(C)C |c:17,t:6|
OCC1=C[C@H]2CCCCC3(CC[C@H](OC(=O)c4ccccc4)[C@H]3C1)C2=O |t:2|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
CCCCCCCCCCCCC\C=C1/[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCC\C=C1\[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCCC[C@H]1[C@@H](OC(C)=O)[C@H](CO)OC1=O
CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c4ccccc4n3C[C@H]2C1 |r,t:7|
CN(C)C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:12|
CCCCCCCCCCCCCCOC(=O)C[C@@H]1CC(=O)O[C@H]1CCO
CCCCCCCCCCCCCCOC(=O)C[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCCCCC(=O)OC[C@@H]1CC(=O)O[C@H]1CO
CCCCCCCCCCCCCCC1C[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCC\C=C1\C[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCC\C=C1/C[C@@H](OC(C)=O)[C@H](CO)OC1=O
CCCCCCCCCCCCCC(=O)O[C@H]1C[C@H](CO)OC(=O)C1
CCCCCCCCCCCCCC(=O)O[C@@H]1CCCC(=O)O[C@H]1CO
CC(C)[C@@H]1N(C)c2cccc3occ(C[C@@H](CO)NC1=O)c23
CC(C)(C)C(=O)OCn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
CC(C)(C)C(=O)OCn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CN([C@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1)C(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@@H]1NC(=O)c1ccc(O)cc1
COC(=O)c1cc(NC(=O)c2cc(cn2C)C(=O)c2cc(NC(=O)Cn3cc(C4=C(C(=O)NC4=O)c4c[nH]c5ccccc45)c4ccccc34)cn2C)cn1C |t:29|
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)Cn3cc(C4=C(C(=O)NC4=O)c4c[nH]c5ccccc45)c4ccccc34)cn2C)cn1C |t:25|
COC(=O)c1cc(NC(=O)c2cc(NC(=O)Cn3cc(C4=C(C(=O)NC4=O)c4c[nH]c5ccccc45)c4ccccc34)cn2C)cn1C |t:20|
COC(=O)c1cc(NC(=O)Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)cn1C |t:14|
CN(C)CCCNC(=O)c1cc(NC(=O)Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)cn1C |t:19|
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)Cn4cc(C5=C(C(=O)NC5=O)c5c[nH]c6ccccc56)c5ccccc45)cn3C)cn2C)cn1C |t:31|
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
COc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
CNc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccs1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)[N+]([O-])=O
Clc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1ccc[n+]([O-])c1
Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
CN(C(=O)c1ccccc1)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccncc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccncc2)c1
C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1
NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
N(c1ccccc1)c1nccc(n1)-c1cccnc1
Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
OC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CCCCCC(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccc(Cl)cc2)c1
N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1
Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)C=C(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O |r,c:43,t:50|
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C\C(=O)OC)C=C(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O |r,c:43,t:50|
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(C[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)=C\C(=O)OC)[C@@H](C)O |r,t:46|
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(C[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)=C/C(=O)OC)[C@@H](C)O |r,t:46|
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCOC2CCCC2)C(=O)O1
CC(C)CCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCO)C(=O)O1
CCCCCCCCCOCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)CC(C\C=C1\CC(O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(=O)NCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCO)C(=O)O1
CC(C)(C)C(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCO)C(=O)O1
CCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCCCCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCCCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCC=O)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC=O)C(=O)O1
COC(=O)CCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN)C(=O)O1
CCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCC=O)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN=[N+]=[N-])C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC(O)=O)C(=O)O1
CCCCCCCCC(O)CCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCOC=O)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCCO)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCC=O)C(=O)O1
COC(=O)CCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
COCCOCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
NCCNc1nc(cc2cnccc12)-c1ccncc1
CNc1cc(ccn1)-c1cc2cnccc2c(NCCCO)n1
OCCCNc1nc(cc2cnccc12)-c1ccncc1
C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
Clc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2 |r|
OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br |r|
C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r|
CCCCCCCCCCCCO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC)[C@H]1OC |r|
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6]\[#6](-[#6])-[#6])-[#6@H](-[#8]-[#6]C#Cc2cccc3c2-[#6](=O)-[#8][C@]3([#6]-[#8])[#6]-[#8]-[#6](=O)-[#6](C([#6])([#6])[#6])C([#6])([#6])[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] |r|
CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)CCCCCCCCCCC |r|
CCCCCCCCCCCCO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)C(C(C)(C)C)C(C)(C)C |r|
CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(cc2)C(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@@H]1OCc1ccc(cc1)C(C)C |r|
CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(F)cc2)[C@@H]1OCc1ccc(F)cc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6@H]-1-[#8]-[#6](=O)-[#6]=[#6]-1-[#6]-[#8] |r,c:25|
CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
CCCCCCCCCCCCCCCCOc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Oc1cc(\C=C\c2cc(O)c(O)c(O)c2)cc(O)c1O
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(=O)OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
NC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
O[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
O[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CCn1cnc2c(Nc3cccc(c3)C#N)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCC[C@@H](N)C3)nc12
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(9.76,-3.77,;8.25,-3.46,;7.77,-1.99,;8.68,-.75,;7.79,.49,;6.32,.02,;4.99,.79,;4.99,2.33,;6.32,3.1,;7.65,2.33,;9,3.1,;9,4.65,;7.65,5.42,;7.65,6.98,;6.32,4.65,;3.66,.02,;3.65,-1.52,;2.31,-2.29,;.97,-1.52,;.98,.02,;-.34,.8,;-1.68,.04,;-3.03,.81,;-1.7,-1.5,;-.37,-2.29,;4.99,-2.3,;6.32,-1.5,)|
CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCCCN
Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O
COCc1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1COC |(6.66,-8.73,;5.33,-7.94,;4,-8.73,;2.66,-7.96,;2.66,-6.42,;1.31,-5.65,;1.31,-4.11,;-.02,-6.42,;-1.07,-5.54,;-.02,-7.96,;-1.35,-8.73,;1.31,-8.73,;1.31,-10.27,;-.02,-11.04,;-1.35,-10.27,;-.02,-12.58,;-1.35,-13.35,;1.31,-13.35,;1.33,-14.89,;2.66,-12.56,;2.66,-11.04,;3.97,-10.25,;5.33,-11.02,;6.66,-10.25,)|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
CC(C)CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
[#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6]
[#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])\[#6](-[#6])-[#6]
CC(C)CC(=O)O[C@@H](CO)COC(=O)CC(C(C)C)C(C)C
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
[#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])\[#6](-[#6])-[#6]
CC(C)CC(=O)OC[C@H](CO)OC(=O)CC(C)C
[#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])\[#6](-[#6])-[#6]
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
CCCCCCCCC(=O)OCCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCC(=O)OCCCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCCC(=O)OCCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCCCOC(=O)CC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCCCOC(=O)CC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
CCCCCCCC(=O)OCCCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
CN(C)CCCn1cc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c2ccccc12 |c:9|
NC(=N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
CN(C)CCCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:11|
OCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:7|
CN(C)CCCn1cc(C2=C(Nc3cccc(C)c3)C(=O)NC2=O)c2ccccc12 |c:9|
O=C1NC(=O)C(=C1Nc1ccccc1)c1c[nH]c2ccccc12 |c:5|
CN(C)CCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:9|
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
CN1CCN(CCCn2cc(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc23)CC1 |c:11|
O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCCC2)c2ccccc12 |c:5|
O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
CN(C)CCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
CN(C)CCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:8|
O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCC2)c2ccccc12 |c:5|
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(cc2)C#Cc2ccc(-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6]-[#6](=O)-[#8]C([#6])([#6])[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(cc2)C#C)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(cc2)C#Cc2ccc(-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(cc2)C#Cc2ccc(cc2)C#C)[#8]-[#6]-1=O
[#6]-[#8]-[#6](=O)-[#6]-[#8]-c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#8]-c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#8]-[#6](=O)-[#6]-[#8]-c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]\[#6](-[#6])=[#6]-1\[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(cc2)C#Cc2ccc(-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6]-[#6](=O)-[#8]C([#6])([#6])[#6])cc2)[#8]-[#6]-1=O
Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC(C)[C@@H]1N(C)c2ccc3cnn4cc(C[C@@H](CO)NC1=O)c2c34
CC(C)[C@@H]1N(C)c2ccc3c(C)nn4cc(C[C@@H](CO)NC1=O)c2c34
CC(C)[C@@H]1N(C)c2ccc3c(nn4cc(C[C@@H](CO)NC1=O)c2c34)C(F)(F)F
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
CCn1cnc2c(N)nc(nc12)N([C@@H]1CCCC[C@@H]1N)c1cccc(Cl)c1
Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCc3ccc(c(c3)O)O)O)O)OC(=O)/C=C/c4ccc(c(c4)O)O)O)O)O
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r|
COc1cc(\C=C\C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O |r|
COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O |r|
C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Cn1cc(C2=C(C(=O)NC2=O)c2cccs2)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2ccccc12 |t:4|
COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|
COc1ccc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c(OC)c1 |t:6|
COc1ccc(cc1OC)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:11|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@@H](O)CO)c2)c2ccccc12 |r,t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@H](O)CO)c2)c2ccccc12 |r,t:4|
COc1ccc(OC)c(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:11|
Cn1cc(C2=C(C(=O)NC2=O)c2cccnc2)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(CC(O)CO)c2)c2cc(F)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCCCO)c2)c2ccccc12 |t:4|
Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(Cl)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12 |t:4|
COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2cc(F)ccc12 |t:9|
COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Cl)cc12 |t:9|
COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2cc(C)ccc12 |t:9|
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20|
CN(C)CCN(C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C1)C(O)=O |r|
CCN(CC)CCCn1cc(NC(=O)Nc2cncc(n2)-c2ccccc2)c2ccccc12
CCN(CC)CCCn1cc(NC(=O)Nc2ccnc(n2)-c2ccccc2)c2ccccc12
CCN(CC)CCCn1cc(NC(=O)Nc2cccc(n2)-c2ccccc2)c2ccccc12
CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
CC(C)C[C@H]1CN(CCN1)c1ccc(C2CC2)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CCCc1ccc(nc1C(=O)c1cccnc1N)N1CCN[C@@H](CC(C)C)C1 |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(OCC(F)(F)F)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(OC(F)F)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1cc(C)cc(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(Cc2ccccc2)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N |r|
C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
C[C@@H]1[C@@H](CCCCc2cccc(O)c2)O[C@]23C[C@@H]1OC(=O)C[C@H](CO)OC(=O)C[C@@H](CCC2(C)C)O3 |r|
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r|
C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3 |r|
O=C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
OCCNc1nc(cc2cnccc12)-c1ccncc1
NCCCNc1nc(cc2cnccc12)-c1ccncc1
NC1CCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
C1CNCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
CNCCNc1nc(cc2cnccc12)-c1ccncc1
CN(CCN)c1nc(cc2cnccc12)-c1ccncc1
NC(CNc1nc(cc2cnccc12)-c1ccncc1)Cc1ccccc1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccnc(N)c1
CC(C)(N)CNc1nc(cc2cnccc12)-c1cccnc1
CC(C)Nc1cc(ccn1)-c1cc2cnccc2c(NCC(C)(C)N)n1
NCCNc1nc(nc2cnccc12)-c1ccncc1
NCCNc1cc(cc2cnccc12)-c1ccncc1
NCCNc1nc(cc2ccncc12)-c1ccncc1
NCCNc1nc(cc2ncccc12)-c1ccncc1
NCCNc1nc(cc2ccccc12)-c1ccncc1
Cc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1Cl
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1F
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
NCCOc1nc(cc2cnccc12)-c1ccncc1
CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20|
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(F)cc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc2n1 |t:11|
CC(C)c1ccc2nc(nc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1)N1CCN(C)CC1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(ccc2n1)C(C)(C)C |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(C)ccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2c(C)cccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c(C)[nH]c3ccccc23)c2ccccc2n1 |t:11|
CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6|
Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4|
CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cccc(C)c2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(Cl)ccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc2n1 |t:11|
Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12
C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12
Nc1ncccc1C(=O)c1cccc(n1)N1CCCNCC1
Fc1ccc(nc1-c1n[nH]c2ncccc12)N1CCNCC1
C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(c(n1)-c1n[nH]c2ncccc12)C(F)(F)F |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1F |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(Cl)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1C#N |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:18|
COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:15|
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
CCC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:20|
O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1c1ccccc1 |t:3|
O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1C1CC1 |t:3|
CC1N2C(COc3cc(F)c(NC4CNC4)cc23)=NNC1=O |c:20|
CC1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |c:20|
CC1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1 |t:8|
CC1N2C(COc3cc(c(CC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
CC1N2C(COc3cc(c(OC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C
CC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:19|
C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24|
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
C[C@@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
c1ccc2c(c1)N3CC(=O)NN=C3CO2
O=C1CN2C(COc3ccc(NC4CNC4)cc23)=NN1 |c:20|
CCCCCCCCCCCCCCCCC\C=C1\CC(=O)OC1(CO)COC(=O)C(C)(C)C
CCCCCCCCCCCCCCCCC\C=C1/CC(=O)OC1(CO)COC(=O)C(C)(C)C
CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCCC1CC1CC1CC1CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCC\C=C/C\C=C/CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCC\C=C/C\C=C/CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CC(C)C\C=C1/CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O
CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)N(C)S(=O)(=O)CCCNCCCCCC(=O)N3CCN(CC3)c3nc(nc(n3)-n3c(nc4ccccc34)C(F)F)N3CCOCC3)c(=O)oc2c1
c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(CCOC(=O)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)CCCCCCC)C[C@@H](O)[C@@H](C)OC(=O)C[C@H](O)C1)O2 |r,t:18|
[H][C@@]12C[C@]3([H])CC(=O)O[C@@]3(O1)C(=O)C(C)(C)\C=C\[C@@]1([H])C\C(C[C@@]([H])(C[C@]3(O)O[C@@]([H])(C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C)[C@H](O)C2)O1)=C/C(=O)OC |r,t:18|
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccc(CN)cc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc3cc(CN)ccc23)c2ccccc12 |t:4|
Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|
Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:15|
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c(Cl)ccc2c1 |t:9|
CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
CC(C)NCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:14|
CN1CCN(Cc2ccc3ccc(Cl)c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c3c2)CC1 |t:15|
CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C(C)=O |t:12|
NCc1ccc2cccc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:10|
Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN4CCC4)cc23)c2ccccc12 |t:4|
CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C1CC1 |t:12|