0 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 CC(O)C(=N)N 4048497 [0,0,0,0,0,0|2,1,1]=4 3 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,1,1]=4 4 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|1,1,0]=3 8 B6R0.3 CC(CN)N(C)C 4026858 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,1,0,0,0,0|1,1,1]=4 10 B6R0.3 CNC(=O)C(C)N 4033710 [0,1,0,0,0,0|1,1,1]=4 11 B6R0.3 CNC(C)C(C)C 4027192 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.7 CC(C)C(C)(C)N 4045550 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.7 CC(N)C(C)(C)O 4035420 [0,1,0,0,0,0|1,1,0]=3 15 B6R0.7 CC(N)C(F)(F)F 4030935 [0,1,0,0,0,0|3,0,0]=4 16 B6R1.11 CC(N)C1CC1 4004109 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.11 CC(N)C1CC1 4088031 [0,0,0,1,0,0|2,0,0]=3 18 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|1,0,0]=3 19 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|1,1,0]=4 20 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|0,1,0]=3 21 B5R0.3 CC(CN)CO 4036254 [1,1,0,0,0,0|1,1,0]=4 22 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|0,1,0]=3 23 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|1,1,0]=4 24 B5R0.3 COC(C)C#N 4045776 [1,1,0,0,0,0|2,0,0]=4 25 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|1,1,0]=4 26 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|0,2,0]=4 27 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,1|2,0,0]=4 28 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,1|2,0,0]=4 29 B7R0.9 CC(C)CC(C)(C)N 4043228 [0,1,0,0,0,1|2,0,0]=4 30 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,1,0,0,0,1|2,0,0]=4 31 B7R0.14 CC(C)(O)C(O)CN 4070090 [0,2,0,0,0,0|0,2,0]=4 32 B7R0.14 CNC(C)C(C)(C)C 4028680 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.15 CC(C)C(CN)CO 4039938 [0,2,0,0,0,0|1,1,0]=4 34 B7R0.15 CNC(CO)C(C)C 4044773 [0,2,0,0,0,0|1,1,0]=4 35 B7R0.17 CC(C)(C)C(C)(C)N 4045350 [0,2,0,0,0,0|2,0,0]=4 36 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,0]=3 37 B5R1.2 FC1CNC1 4108317 [1,0,0,1,0,0|2,0,0]=4 38 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|0,1,0]=3 39 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,1,0]=4 40 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|0,1,0]=3 41 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,0,0,1,0,1|1,1,0]=4 43 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,1,0,0|1,1,0]=4 44 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,1,0,0|1,1,0]=4 45 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,1,0,0|0,2,0]=4 46 B7R1.19 CC(C)C1(N)CC1 4028147 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.22 CCC(N)C1CC1 4044918 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.22 OC(CBr)C1CC1 4047731 [0,1,0,1,0,0|1,1,0]=4 49 B7R1.23 CC1(C)CC1CN 4032113 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.23 CC1(C)CC1CO 4033976 [0,1,0,1,0,0|1,1,0]=4 51 B7R1.26 CC(C)(N)C1CC1 4108199 [0,1,0,1,0,0|2,0,0]=4 52 B7R2.1 C1CC1C2CO2 4051061 [0,0,0,2,0,0|1,1,0]=4 53 B7R0.6 CC(C)CNC(C)C 4028720 [0,0,0,0,0,2|2,0,0]=4 54 B7R0.6 CC(C)CNC(C)C 4090247 [0,0,0,0,0,2|2,0,0]=4