0 B5R0.1 C=CC[C@H](C)N D84793 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CN(C)NC=O 20013 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C[C@H](N)CC#N 83614 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 C[C@H](N)C#N 96735 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 C[C@H](N)CF AC1331 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 O=C(O)CC(F)F P18472 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.3 CC(C)C(=O)CN AT23528 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.3 CC(C)[C@@H](N)CO Y13602 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.4 CC(C)NCC#N 78909 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.5 CSCC(C)(C)N D76732 [0,1,0,0,0,0|3,0,0]=4 11 B6R1.5 CC1CC(O)C1 P19103 [0,0,0,1,0,0|1,0,2]=4 12 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.5 O=C1CC(F)C1 P13807 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,0,0,1,0,0|1,0,2]=4 16 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,0,0,1,0,0|2,0,1]=4 17 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|2,0,0]=4 18 B5R0.3 C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|2,0,0]=4 19 B5R0.4 CC(C)(F)CI AC1604 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.4 CC(C)(F)CN 85780 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.2 N#CCCC=O F20778 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.11 CCC(C)(C)CC=O Y14611 [0,2,0,0,0,0|1,0,0]=3 23 B7R0.6 O=C(O)COC(F)F 89985 [0,2,0,0,0,0|2,0,0]=4 24 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,1,0,1,0,0|2,0,0]=4 25 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|0,0,0]=2 26 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|0,0,0]=2 27 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,1,0,0|2,0,0]=4 28 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,1,0,0|2,0,0]=4 29 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|2,0,0]=4 30 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|1,0,1]=4 31 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,1,0,1,0,0|1,0,0]=3 32 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,1,0,1,0,0|1,0,0]=3 33 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,1,0,1,0,0|1,0,0]=3 34 B7R1.25 C[C@]1(CO)CCO1 CS1015 [0,1,0,1,0,0|1,0,1]=4 35 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,1,0,1,0,0|1,0,0]=3 36 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,1,0,1,0,0|1,0,0]=3 37 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|1,0,1]=4