0 B5R0.2 CSCCCCl Y14621 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 N#CCCC=O F20778 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 CNCCF AC6046 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 CC[C@H](N)CC#N Y13628 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,1,0,0,0,0|1,0,2]=4 5 B6R0.4 O=C(O)\C=C\CF AT12709 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.4 O=C(O)\C=C\CO AT11505 [0,1,0,0,0,0|2,0,1]=4 7 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,1,0,0|2,0,1]=4 8 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,1,0,0|2,0,0]=3 9 B6R1.6 C#CC1CCC1 P19139 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.6 NC[C@H]1CCO1 P21081 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,0,0,1,0,0|1,0,2]=4 12 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|1,0,0]=3 13 B5R0.1 CN(C)NC=O 20013 [1,1,0,0,0,0|2,0,0]=4 14 B5R0.1 C[C@H](N)CC#N 83614 [1,1,0,0,0,0|1,0,1]=4 15 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,0]=3 16 B5R0.3 C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|2,0,0]=4 17 B7R0.3 CNC(=O)CCCO F10217 [0,2,0,0,0,0|2,0,0]=4 18 B7R0.11 CCC(C)(C)CC=O Y14611 [0,2,0,0,0,0|1,0,0]=3 19 B7R0.4 CC(=O)OCCCO Y14698 [0,2,0,0,0,0|0,0,0]=2 20 B7R0.4 NCCCOC(F)F 89965 [0,2,0,0,0,0|1,0,1]=4 21 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,1,0,1,0,0|2,0,0]=4 22 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|0,0,0]=2 23 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|0,0,0]=2 24 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,1,0,0|1,0,0]=3 25 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,1,0,0|1,0,0]=3 26 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|1,0,1]=4 27 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,1,0,0|1,0,1]=4 28 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|1,0,1]=4 29 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|1,0,0]=3 30 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,1,0,1,0,0|1,0,1]=4 31 B7R1.6 ICC[C@H]1CCO1 D79155 [0,1,0,1,0,0|1,0,1]=4 32 B7R1.6 NCC[C@H]1CCO1 D79157 [0,1,0,1,0,0|1,0,1]=4 33 B7R1.6 NCC[C@H]1CCO1 P17247 [0,1,0,1,0,0|1,0,1]=4 34 B7R1.6 OCC[C@H]1CCO1 D84844 [0,1,0,1,0,0|1,0,1]=4 35 B7R1.6 OCC[C@H]1CCO1 P19429 [0,1,0,1,0,0|1,0,1]=4 36 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,1,0,1,0,0|1,0,0]=3 40 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,1,0,1,0,0|1,0,0]=3 41 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|2,0,0]=4