0 B4R0.1 NC(=S)CF E70025 [1,0,0,0,0,0|2,1,0]=4 1 B4R0.2 CNCCF AC6046 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.2 O=C(O)CC(F)F P18472 [0,1,0,0,0,0|1,0,0]=2 3 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,1,0,0,0,0|1,0,2]=4 4 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,1,0,0,0,0|1,0,1]=3 5 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,0,0,0,0|0,0,0]=1 6 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.4 O=C(O)\C=C\CF AT12709 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.4 O=C(O)\C=C\CO AT11505 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 CN1CCNC1 AC8535 [0,0,0,1,0,0|3,0,0]=4 10 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,1,0,0|3,0,0]=4 12 B6R1.5 CC1CC(O)C1 P19103 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.5 O=C1CC(F)C1 P13807 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.9 N[C@H]1CC1(F)F AT11299 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.9 N[C@H]1CC1(F)F P21069 [0,0,0,1,0,0|2,0,1]=4 19 B5R0.5 CC(N)C(C)O Y13729 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.5 C[C@H](N)[C@H](C)O F16993 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.2 N#CCCC=O F20778 [1,1,0,0,0,0|0,0,1]=3 22 B5R0.2 NC\C=C/CN C13830 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.2 NOCCON D72368 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.3 CNC(=O)CCCO F10217 [0,2,0,0,0,0|2,0,0]=4 25 B7R0.3 COC(=O)\C=C\CN AT20735 [0,2,0,0,0,0|0,0,1]=3 26 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,2,0,0,0,0|1,0,0]=3 27 B7R0.13 NCC(F)(F)C(=O)O AC6133 [0,2,0,0,0,0|0,0,0]=2 28 B7R0.14 CC(C)(O)[C@@H](F)CN 89813 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,2,0,0,0,0|1,0,0]=3 30 B7R0.4 CC(=O)OCCCO Y14698 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.6 O=C(O)COC(F)F 89985 [0,2,0,0,0,0|1,0,0]=3 32 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|1,0,1]=4 33 B5R1.5 NC1(O)CC1 92034 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|1,0,0]=3 35 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|1,0,0]=3 36 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,1,0,0|1,0,1]=4 37 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,1,0,0|1,0,1]=4 38 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,1,0,0|1,0,1]=4 39 B7R1.2 NC1=NCC(=O)S1 C13281 [0,1,0,1,0,0|0,1,1]=4 40 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,1,0,0|1,0,0]=3 41 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,1,0,0|1,0,0]=3 42 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,1,0,0|1,0,1]=4 43 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|1,0,1]=4 48 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|1,0,1]=4 49 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|1,0,1]=4 50 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,1,0,0|1,0,1]=4 51 B7R1.6 NCC[C@H]1CCO1 D79157 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.6 NCC[C@H]1CCO1 P17247 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.16 CC1(O)CC(N)C1 P19045 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,1,0,0|1,0,1]=4