0 B7R0.7 CCC[C@H](O)COC D77523 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCC[C@H](N)CF AC5307 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.1 CCC[C@H](N)CF AC7092 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 CC[C@H](N)CCO AT14304 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CC[C@H](N)CCO AT22343 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CC[C@H](N)CCO AT22346 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COCC(=O)CBr AT12825 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 NCCC(=O)NO AT14832 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.1 N#CCC(=O)OCCN D76753 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.1 N#CCC(=O)OCCN D76754 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.1 NOCC(=O)NCCO AT10370 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.11 O=C1CCCN1CO D86008 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,0,0,1,0,0|2,1,0]=4 26 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|1,1,1]=4 30 B8R1.37 O=C(OCCl)C1CC1 D85989 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.80 CCO[C@@]1(C)C[C@H]1N AT11450 [0,0,0,1,0,0|2,0,1]=4 32 B5R0.1 C[S@](=O)CCN AT24515 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 CCONC(=O)CO AT24923 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.3 COC(=O)C#CCN AT20732 [1,1,0,0,0,0|0,0,2]=4 38 B7R0.3 C\C=C(/C)CCCC T72329 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.3 O=C(CO)NCCO D86391 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.1 CCCNNCCC D79943 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.1 NCCC\C=C\CO AT22200 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,2,0,0,0,0|0,0,1]=3 46 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,2,0,0,0,0|0,0,0]=2 47 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,2,0,0,0,0|0,0,0]=2 48 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,2,0,0,0,0|0,0,0]=2 49 B9R0.35 CC#CC(=O)C(=O)OCC AT16811 [0,2,0,0,0,0|0,0,2]=4 50 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.44 CC#CC(=O)OC(C)(C)C AC8571 [0,2,0,0,0,0|0,0,2]=4 52 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,2,0,0,0,0|0,0,0]=2 53 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.22 COC(=O)[C@@H]1CN1 63808 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.22 COC(=O)[C@@H]1CN1 63810 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.22 O=CC(=O)C1CC1 D74797 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|1,0,0]=3 68 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|1,0,0]=3 71 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.33 O=C1NCCN1CCBr AC9134 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,1,0,1,0,0|0,0,0]=2 88 B9R1.183 CCOC(=O)C1CC1O 92030 [0,1,0,1,0,0|0,0,0]=2 89 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.132 CN1CC[C@H](CBr)C1=O C77450 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.132 CN1CC[C@H](CN)C1=O AT19081 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.132 CN[C@H]1CCN(C)C1=O AT19098 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.202 C[C@]1(CN)CCNC1=O AT19082 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25647 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25648 [0,1,0,1,0,0|2,0,0]=4 100 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|1,0,0]=3 101 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|2,0,0]=4 102 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|2,0,0]=4 103 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|2,0,0]=4 104 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|2,0,0]=4 105 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|2,0,0]=4 106 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|1,0,0]=3 107 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|0,0,0]=2 108 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|1,0,0]=3