0 B7R0.3 CNC(=O)CCCO F10217 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 COC(=O)\C=C\CN AT20735 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.3 CO\C=C(/I)C(=O)OC 78865 [0,1,0,0,0,0|0,1,2]=4 3 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,1,0,0,0,0|1,0,0]=2 4 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,0,0,1,0,0|1,0,1]=3 6 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 CON1CCNCC1 AT26084 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.3 O=C1CCC(=O)NC1 65254 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.52 CO[C@@]1(C)CCNC1 C77432 [0,0,0,1,0,0|2,0,1]=4 21 B5R0.2 CSCCCCl Y14621 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.10 C=C(OC)C(=O)OC 78623 [1,1,0,0,0,0|0,1,1]=4 24 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.5 CCCCNC(=O)CCC D86376 [0,2,0,0,0,0|2,0,0]=4 26 B9R0.34 CCOC(=O)C[C@@H](N)CC Y13948 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.34 CCOC(=O)C[C@@H](O)CC D96332 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.35 C=CC[C@H](O)C(=O)OCC AC9119 [0,2,0,0,0,0|1,0,1]=4 29 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|0,0,0]=2 30 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|0,0,0]=2 31 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|1,0,0]=3 35 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,1,0,1,0,0|1,1,0]=4 42 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,1,0,1,0,0|1,1,0]=4 47 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.186 CNC(=O)C1(N)COC1 P20116 [0,1,0,1,0,0|1,1,0]=4 52 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,1,0,1,0,0|1,0,0]=3 53 B9R2.139 O=C1CC2(CC2)CN1 87107 [0,0,0,2,0,0|2,0,0]=4 54 B9R2.139 O=C1CCC2(CC2)C1 P20949 [0,0,0,2,0,0|2,0,0]=4 55 B9R2.139 O=C1NC2(CC2)CO1 F30496 [0,0,0,2,0,0|2,0,0]=4 56 B9R2.53 O=C1C2CNCC1C2 86846 [0,0,0,2,0,0|2,0,0]=4 57 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,2,0,0|2,0,0]=4 58 B9R2.140 O=C1CCC12CNC2 D79142 [0,0,0,2,0,0|2,0,0]=4 59 B9R2.140 O=C1CCC12COC2 84056 [0,0,0,2,0,0|1,1,0]=4 60 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,2,0,0|2,0,0]=4