0 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 CC(Br)C(=O)N(C)C 4027414 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(N)C(=O)N(C)C 4033000 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(N)C(=O)N(C)C 4088550 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.16 CC(O)C(=O)N(C)C 4035486 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(C)CC(=N)N 4012906 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 CC(C)C(=O)NN 3015435 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.3 CC(C)\C(N)=N\O 4031815 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.3 CC(O)C(=N)NO 4041720 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.3 CN(C)C(=O)CN 4029380 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 CN(C)C(=O)CO 4033769 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.3 CNC(=O)C(C)Cl 4026929 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 CNC(=O)C(C)N 4033710 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.3 COC(C)C(=O)O 4020866 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CSC(C)C(=O)O 4034068 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.2 CC(C)C(O)\C(N)=N/O 4045615 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.2 CN(C)C(=O)\C(N)=N/O 4045736 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.2 CNC(C)C(=O)N(C)C 4032058 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.18 CCC(C(=O)O)N(C)C 4028086 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.27 CN(C)C(=O)C(C)(C)N 4033978 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,0|1,0,1]=3 24 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,0,0,0,0,1|1,0,0]=2 25 B8R0.23 CC(=O)CC(=O)C(F)F 3001897 [0,0,0,0,0,1|3,0,0]=4 26 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,0,0,0,0,1|2,0,0]=3 28 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,0,0,0,0,1|0,0,0]=1 29 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [0,0,0,0,0,1|2,0,1]=4 30 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,0,0,0,0,1|1,0,1]=3 31 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,0,0,0,0,1|2,0,1]=4 32 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,0,0,0,0,1|2,0,1]=4 33 B5R0.3 CC\C(N)=N\O 4030035 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CC\C(N)=N\O 4089717 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.5 CC(C)C(=N)N 4034735 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.5 CC(C)C(=N)N 4088764 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.2 CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.2 CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.2 CC(C)NC(=O)CN 4030242 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.2 CC(C)NC(=O)CN 4091078 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.2 CCC(C)CC(C)=O 4031282 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.2 CCN(C)CC(=O)O 4026801 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.2 CNC(C)CC(=O)O 4035495 [1,1,0,0,0,0|0,0,1]=3 46 B7R0.2 CNC(C)CC(N)=O 4043924 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.5 CCOC(C)C(=O)O 4020873 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.5 CCSC(C)C(=O)O 4028492 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.5 CN(C)C(=O)CCO 4035245 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.5 CNCC(C)C(=O)O 4043069 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.10 CCC(C)C(=O)NN 4031480 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.10 CCC(C)\C(N)=N\O 4043559 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.10 CCC(N)C(=O)NO 4045655 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.10 CNC(=O)C(C)CN 4035379 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.10 CNC(=O)\C(N)=N/O 4045634 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.10 COC(=O)C(=O)NN 4035403 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(C)C(=O)NN 4024075 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(C)\C(N)=N/O 4045625 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.14 CC(C)(C)C(=O)CN 4030730 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.14 CNC(=O)C(C)(C)N 4033252 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.15 CCC(OC)C(=O)O 4020880 [1,1,0,0,0,0|0,0,2]=4 65 B9R0.11 CC(C)S(=O)(=O)CC(=O)O 4027959 [0,1,0,0,0,1|1,0,0]=3 66 B9R0.42 CCC(C)NC(=O)C(=O)O 4027251 [0,1,0,0,0,1|0,0,0]=2 67 B9R0.57 CC(C)(C)NC(=O)C(=O)O 4027307 [0,1,0,0,0,1|0,0,0]=2 68 B9R0.25 COC(=O)C(=O)C(C)(C)C 4041279 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.41 CCC(CC)C(N)C(=O)O 4040457 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.41 CCN(CC)C(=O)C(=O)O 4028867 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.22 NNC(=O)C1CC1 3014982 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.35 CC(C)C1=NN=C(O)S1 4044929 [0,0,0,1,0,1|2,0,0]=4 77 B9R1.35 CC(C)C1=NOC(Br)=N1 4045359 [0,0,0,1,0,1|2,0,0]=4 78 B9R1.35 CC(C)C1=NOC(N)=C1 4027949 [0,0,0,1,0,1|2,0,0]=4 79 B9R1.35 CC(C)C1=NOC(N)=N1 4035754 [0,0,0,1,0,1|2,0,0]=4 80 B9R1.35 CC(C)C1=NOC(O)=N1 4042921 [0,0,0,1,0,1|1,0,1]=4 81 B9R1.69 CN1CCC(=O)NC1=O 4045714 [0,0,0,1,0,1|2,0,0]=4 82 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,0,0,1,0,1|1,0,0]=3 83 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.165 CC(N)(C(=O)O)C1CC1 4035474 [0,1,0,1,0,0|1,0,1]=4 85 B9R2.143 O=C(O)C1CC12CC2 4012322 [0,0,0,2,0,0|1,0,1]=4 86 B7R0.6 CC(C)NCC(=O)O 4028411 [1,0,0,0,0,1|0,0,1]=3 87 B7R0.6 CC(C)OCC(=O)O 4020858 [1,0,0,0,0,1|0,0,1]=3 88 B7R0.6 CC(C)SCC(=O)O 4028613 [1,0,0,0,0,1|0,0,1]=3 89 B9R0.7 CC(C)C(=O)NCC(=O)O 4029604 [0,0,0,0,0,2|0,0,0]=2 90 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,0,0,0,0,2|0,0,0]=2 91 B9R0.7 CC(C)N(C)CCC(=O)O 4028345 [0,0,0,0,0,2|2,0,0]=4 92 B9R0.7 CC(C)N(C)CCC(=O)O 4091071 [0,0,0,0,0,2|2,0,0]=4 93 B9R0.7 CN(C)C(=O)NCC(=O)O 4028570 [0,0,0,0,0,2|1,0,0]=3