Compounds

Showing 901 through 1000 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
901 EN300-08063_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC(CC5)C(=O)N −8.0 ± 0.5 5.8 ± 0.4
902 EN300-258435_1 molecule CC1(CCC(=O)NC1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.4 5.8 ± 0.3
903 EN300-116092_1 molecule CCS(=O)(=O)NCCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3 5.8 ± 0.2
904 EN300-7463171_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCO −8.0 ± 0.5 5.8 ± 0.4
905 EN300-219020_2 molecule Cn1ncc(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.2 5.8 ± 0.2
906 MAT-POS-8a69d52e-2 molecule C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −7.95 ± 0.09 5.79 ± 0.07
907 VLA-UCB-1dbca3b4-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −7.94 ± 0.04 5.79 ± 0.03
908 EN300-176877_2 molecule CN(C)C(=O)CCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3 5.8 ± 0.2
909 EN300-105829_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CCOC5)CCO −7.9 ± 0.3 5.8 ± 0.2
910 EN300-103187_4 molecule CCOCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3 5.8 ± 0.3
911 EN300-120920_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5CCC(=O)NC5=O −7.9 ± 0.3 5.8 ± 0.2
912 EN300-307198_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(COC5)CO −7.9 ± 0.4 5.8 ± 0.3
913 EN300-68875_2 molecule CNS(=O)(=O)CCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3 5.8 ± 0.2
914 EN300-114643_3 molecule CN(C)C(C1CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.7 5.8 ± 0.5
915 EN300-1988306_1 molecule CS(=O)(=O)CCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3 5.8 ± 0.3
916 EN300-378316_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nnc6n5cc[nH]c6=O −7.9 ± 0.4 5.8 ± 0.3
917 EN300-1700143_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)c6ncon6 −7.9 ± 0.3 5.8 ± 0.2
918 EN300-39504_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCS(=O)(=O)N −7.9 ± 0.5 5.8 ± 0.4
919 EN300-120920_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5CCC(=O)NC5=O −7.9 ± 0.4 5.8 ± 0.3
920 EN300-62448_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)C5CCC5 −7.9 ± 0.4 5.8 ± 0.3
921 MAT-POS-f7918075-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −7.91 ± 0.05 5.76 ± 0.03
922 EN300-1608590_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nc(on5)N6CCOCC6 −7.9 ± 0.4 5.8 ± 0.3
923 EN300-95598_2 molecule Cn1cc(cn1)S(=O)(=O)NCCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.5 5.8 ± 0.3
924 EN300-190026_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)C5CCCO5 −7.9 ± 0.5 5.8 ± 0.4
925 EN300-1238839_3 molecule CS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.2 5.8 ± 0.1
926 EN300-1698981_2 molecule Cc1nc(on1)C(CO)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.5 5.8 ± 0.3
927 EN300-7355477_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CC(C(CC6C5)O)O −7.9 ± 0.3 5.8 ± 0.2
928 EN300-188582_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)O −7.9 ± 0.3 5.7 ± 0.2
929 EN300-761746_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c(=O)[nH]c(=O)[nH]n5 −7.9 ± 0.3 5.7 ± 0.2
930 EN300-99391_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CCOC5 −7.9 ± 0.2 5.7 ± 0.2
931 EN300-1708637_2 molecule C[C@H](C1CN(CCO1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.9 ± 0.3 5.7 ± 0.2
932 EN300-71558_2 molecule COC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3 5.7 ± 0.2
933 JOH-SUS-a69c159d-5 molecule c1cc2c(cc1F)c(cnc2F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.88 ± 0.07 5.74 ± 0.05
934 MAT-POS-11b63608-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Br −7.87 ± 0.05 5.74 ± 0.04
935 EN300-657410_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)c5[nH]ccn5 −7.9 ± 0.5 5.7 ± 0.3
936 EN300-724976_3 molecule CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCC(CC5)O −7.9 ± 0.4 5.7 ± 0.3
937 BEN-DND-c852c98b-7 molecule c1cc2cncc(c2cc1C(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.85 ± 0.07 5.72 ± 0.05
938 MAT-POS-43fe65f4-1 molecule COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.8 ± 0.2 5.7 ± 0.1
939 EN300-372748_2 molecule C[C@H]1C(=O)NCCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3 5.7 ± 0.2
940 EN300-6501360_4 molecule CN(C)C(=O)NCC(COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.8 ± 0.5 5.7 ± 0.4
941 EN300-259063_2 molecule CC(=O)N1CCCC(C1)(CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.8 ± 0.3 5.7 ± 0.2
942 EN300-19342_2 molecule CN(CCO)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3 5.7 ± 0.2
943 EN300-1723663_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCN(C(=O)C5)CCO −7.8 ± 0.3 5.7 ± 0.2
944 EN300-6494606_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −7.8 ± 0.3 5.7 ± 0.2
945 EN300-95562_2 molecule CC(CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(CO)O −7.8 ± 0.5 5.7 ± 0.3
946 EN300-1703093_2 molecule C[C@@H](C1(CC1)O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.4 5.7 ± 0.3
947 VLA-UCB-05e51b3f-13 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −7.8 ± 0.3 5.7 ± 0.2
948 EN300-1709410_2 molecule CC1CC(N1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −7.8 ± 0.3 5.7 ± 0.2
949 EN300-72043_2 molecule CC(C)C(C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3 5.7 ± 0.2
950 EN300-1666341_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5Cc6c(cn[nH]6)C5CO −7.8 ± 0.4 5.7 ± 0.3
951 EN300-1968342_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(CF)O −7.8 ± 0.3 5.7 ± 0.2
952 EN300-299920_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H]([C@H](C5)O)O)O −7.8 ± 0.3 5.7 ± 0.2
953 EN300-306495_3 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −7.8 ± 0.2 5.7 ± 0.2
954 EN300-5638430_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CS(=O)(=O)C5 −7.8 ± 0.5 5.7 ± 0.4
955 EN300-104746_3 molecule CCC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.8 ± 0.3 5.7 ± 0.2
956 DAR-DIA-0d514e7d-9 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5 −7.8 ± 0.2 5.7 ± 0.1
957 EN300-245265_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCn5cnc(n5)C#N −7.8 ± 0.4 5.7 ± 0.3
958 EN300-264301_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCC(=O)N5 −7.8 ± 0.5 5.7 ± 0.3
959 EN300-79588_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCS(=O)(=O)N −7.8 ± 0.2 5.7 ± 0.1
960 EN300-216063_4 molecule CN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.2 5.7 ± 0.2
961 EN300-66518_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)n6cncn6 −7.8 ± 0.3 5.7 ± 0.2
962 EN300-6486763_1 molecule CC1C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)OC(=O)N1 −7.8 ± 0.3 5.7 ± 0.2
963 EN300-203853_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNS(=O)(=O)C5CC5 −7.8 ± 0.4 5.7 ± 0.3
964 EN300-260696_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(C5n6cccn6)O −7.8 ± 0.3 5.7 ± 0.2
965 EN300-61592_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC[C@@H]5O −7.8 ± 0.3 5.7 ± 0.2
966 EN300-91609_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC6C5C6 −7.8 ± 0.3 5.7 ± 0.2
967 EDJ-MED-e4b030d8-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)Cl −7.77 ± 0.10 5.66 ± 0.07
968 EN300-66432_4 molecule CN(C)S(=O)(=O)CCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3 5.7 ± 0.3
969 EN300-246747_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CC(=O)NC5 −7.8 ± 0.2 5.7 ± 0.2
970 EN300-187055_1 molecule CN1CC2CN(CCN2C1=O)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.8 ± 0.4 5.6 ± 0.3
971 DAR-DIA-0d514e7d-20 molecule C[C@H]1COc2c(cc(cc2N3CCOCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.2 5.6 ± 0.2
972 EN300-97904_2 molecule CS(=O)(=O)CC1(CC1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3 5.6 ± 0.2
973 EN300-259063_1 molecule CC(=O)N1CCCC(C1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.7 ± 0.3 5.6 ± 0.3
974 EN300-1238839_4 molecule CS(=O)(=O)NCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.2 5.6 ± 0.2
975 DAR-DIA-0d514e7d-22 molecule C[C@H]1COc2c(cc(cc2N3CCN(CC3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.2 5.6 ± 0.2
976 DAR-DIA-0d514e7d-16 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5F −7.7 ± 0.2 5.6 ± 0.2
977 EN300-1267093_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6C[C@@]6(C5)O −7.7 ± 0.3 5.6 ± 0.2
978 MAK-UNK-8be7dca9-7 molecule c1cc2cncc(c2cc1C(=O)O)NC(=O)C3CCOc4c3cc(cc4)Cl −7.73 ± 0.09 5.63 ± 0.07
979 EN300-1212400_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(CC5CO)CO −7.7 ± 0.2 5.6 ± 0.2
980 JOH-SUS-a69c159d-2 molecule c1ccc2c(c1)c(cnc2F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.73 ± 0.07 5.63 ± 0.05
981 EN300-365106_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)C(=O)N −7.7 ± 0.3 5.6 ± 0.2
982 JAG-UCB-706446eb-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(F)(F)F −7.7 ± 0.3 5.6 ± 0.2
983 DAR-DIA-0d514e7d-11 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −7.7 ± 0.2 5.6 ± 0.1
984 EN300-205143_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCCS(=O)(=O)N −7.7 ± 0.4 5.6 ± 0.3
985 EN300-92664_2 molecule COCCn1c(ccn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.4 5.6 ± 0.3
986 EN300-62857_1 molecule COCCS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4 5.6 ± 0.3
987 EN300-42520_2 molecule CN(C)CCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3 5.6 ± 0.2
988 EN300-50009_2 molecule COC(=O)NCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3 5.6 ± 0.2
989 EN300-1696143_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CCCN6C(=O)C5 −7.7 ± 0.3 5.6 ± 0.2
990 EN300-73582_3 molecule CCS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4 5.6 ± 0.3
991 EN300-261236_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)Cc6[nH]cnn6 −7.7 ± 0.4 5.6 ± 0.3
992 EN300-226314_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)C5CCS(=O)(=O)C5 −7.7 ± 0.3 5.6 ± 0.2
993 EN300-1452069_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(CC5CCOCC5)O −7.7 ± 0.4 5.6 ± 0.3
994 VLA-UCB-05e51b3f-4 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.7 ± 0.2 5.6 ± 0.2
995 EN300-309521_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)c6nccnn6 −7.7 ± 0.3 5.6 ± 0.2
996 DAR-DIA-0d514e7d-7 molecule C[C@H]1COc2c(cc(cc2NC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.2 5.6 ± 0.1
997 EN300-121939_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6C(C5)CCOC6=O −7.7 ± 0.3 5.6 ± 0.2
998 JAG-UCB-706446eb-2 molecule CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3 5.6 ± 0.2
999 EN300-12204_2 molecule CCCNC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4 5.6 ± 0.3
1000 EN300-210256_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)CNC(=O)N −7.7 ± 0.3 5.6 ± 0.2
Last updated 2021-02-01T19:17:43.061548+00:00
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