0 B4R1.2 SC1CC1 C91321 [0,0,0,0,0,0|2,0,0]=2 1 B5R1.4 CC1CC1Br AT22556 [0,1,0,0,0,0|1,0,0]=2 2 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [0,1,0,0,0,0|1,0,0]=2 3 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [0,1,0,0,0,0|1,0,0]=2 4 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [0,1,0,0,0,0|1,0,0]=2 5 B5R1.4 FC1CC1Br CS2874 [0,1,0,0,0,0|2,0,0]=3 6 B5R1.4 NC1CC1F P19355 [0,1,0,0,0,0|2,0,0]=3 7 B5R1.4 NC1CC1N AC7084 [0,1,0,0,0,0|2,0,0]=3 8 B5R1.4 NC1CC1O 92033 [0,1,0,0,0,0|2,0,0]=3 9 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [0,1,0,0,0,0|2,0,0]=3 10 B5R1.4 N[C@H]1C[C@H]1N AT11451 [0,1,0,0,0,0|2,0,0]=3 11 B5R1.5 CC1(Br)CC1 P15914 [0,1,0,0,0,0|1,0,0]=2 12 B5R1.5 NC1(O)CC1 92035 [0,1,0,0,0,0|2,0,0]=3 13 B3R0.1 N[13CH2][13CH2]N D98346 [0,0,1,0,0,0|2,0,0]=3 14 B3R0.1 [2H]CCI D99684 [0,0,1,0,0,0|2,0,0]=3 15 B3R0.1 [2H]CCO D98012 [0,0,1,0,0,0|1,0,0]=2 16 B3R0.2 C[13C](=O)[O-] 41466 [0,0,1,0,0,0|1,0,2]=4 17 B3R0.2 [13CH3]C(=O)[O-] 41465 [0,0,1,0,0,0|1,0,2]=4 18 B3R0.2 [13CH3][13C](=O)O 41419 [0,0,1,0,0,0|1,0,1]=3 19 B3R0.2 [13CH3][13C](=O)[O-] 41460 [0,0,1,0,0,0|1,0,2]=4 20 B5R1.2 C[C@H]1CCN1 S11047 [0,0,0,0,0,1|1,0,0]=2 21 B5R1.2 SC1CCC1 AT12396 [0,0,0,0,0,1|2,0,0]=3 22 B5R1.2 [18F]C1CNC1 AT24717 [0,0,0,0,0,1|2,0,0]=3 23 B2R0.1 [13CH3][13CH2]O 41411 [1,0,1,0,0,0|0,0,0]=2 24 B4R0.1 C#C[C@H](C)N D86216 [0,1,1,0,0,0|1,0,1]=4 25 B4R0.1 C[C@H](N)C#N 96734 [0,1,1,0,0,0|1,0,1]=4 26 B4R0.1 NC(=S)CO D75093 [0,1,1,0,0,0|1,0,1]=4 27 B4R0.1 [2H][C@@H](C)CO D98056 [0,1,1,0,0,0|0,0,0]=2 28 B4R0.2 NOCCF AT14503 [0,1,1,0,0,0|1,0,0]=3 29 B4R0.3 C[13C](C)(C)Cl D97989 [0,1,1,0,0,0|1,0,0]=3 30 B6R1.4 CC1CCC1N AT10478 [0,1,0,0,0,1|1,0,0]=3 31 B6R1.4 CC1CCC1O AC8042 [0,1,0,0,0,1|1,0,0]=3 32 B6R1.4 CC1CNC1C E72893 [0,1,0,0,0,1|1,0,0]=3 33 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,1,0,0,0,1|1,0,0]=3 34 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,1,0,0,0,1|1,0,0]=3 35 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,1,0,0,0,1|1,0,0]=3 36 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,1,0,0,0,1|1,0,0]=3 37 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,1,0,0,0,1|2,0,0]=4 38 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,1,0,0,0,1|2,0,0]=4 39 B6R1.4 N[C@H]1CCC1=O AT24523 [0,1,0,0,0,1|2,0,0]=4 40 B6R1.4 N[C@H]1CNC1=O P16451 [0,1,0,0,0,1|2,0,0]=4 41 B6R1.4 N[C@H]1CNC1=O P18336 [0,1,0,0,0,1|2,0,0]=4 42 B6R1.4 O=C1CC[C@@H]1O 94997 [0,1,0,0,0,1|2,0,0]=4 43 B6R1.4 O=C1NC[C@@H]1O D77141 [0,1,0,0,0,1|2,0,0]=4 44 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,1,0,0,0,1|1,0,0]=3 45 B6R1.5 NC1CC(N)C1 AT13082 [0,1,0,0,0,1|2,0,0]=4 46 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [0,1,0,0,0,1|2,0,0]=4 47 B6R1.5 O=C1C[C@H](F)N1 D72810 [0,1,0,0,0,1|2,0,0]=4 48 B6R1.5 OC1=C[C@@H](F)C1 F18634 [0,1,0,0,0,1|2,0,0]=4 49 B6R1.5 OC1CC(Br)C1 AT17315 [0,1,0,0,0,1|2,0,0]=4 50 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [0,1,0,0,0,1|2,0,0]=4 51 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [0,1,0,0,0,1|2,0,0]=4 52 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [0,1,0,0,0,1|2,0,0]=4 53 B6R1.6 C=CC1CNC1 AT25649 [0,1,0,0,0,1|1,0,1]=4 54 B6R1.6 CNC1COC1 20485 [0,1,0,0,0,1|0,0,0]=2 55 B6R1.6 CNC1CSC1 AT25559 [0,1,0,0,0,1|0,1,0]=3 56 B6R1.6 FC[C@H]1CCN1 P12566 [0,1,0,0,0,1|1,0,0]=3 57 B6R1.6 FC[C@H]1CCN1 P13956 [0,1,0,0,0,1|1,0,0]=3 58 B6R1.6 FC[C@H]1CCN1 P14908 [0,1,0,0,0,1|1,0,0]=3 59 B6R1.6 N#C[C@@H]1CCN1 P14910 [0,1,0,0,0,1|1,0,1]=4 60 B6R1.6 N#C[C@@H]1CCN1 P14911 [0,1,0,0,0,1|1,0,1]=4 61 B6R1.6 N#C[C@@H]1CCN1 P15768 [0,1,0,0,0,1|1,0,1]=4 62 B6R1.6 NOC1CCC1 97654 [0,1,0,0,0,1|2,0,0]=4 63 B6R1.6 O=CC1CSC1 AT24592 [0,1,0,0,0,1|0,1,1]=4 64 B6R1.6 OCC1CSC1 P14098 [0,1,0,0,0,1|0,1,0]=3 65 B6R1.10 CC1(C)CCN1 AT11216 [0,1,0,0,0,1|1,0,0]=3 66 B6R1.10 CC1(N)CSC1 P12309 [0,1,0,0,0,1|0,1,0]=3 67 B6R1.3 NCCN1CC1 P18027 [0,2,0,0,0,0|2,0,0]=4 68 B6R1.3 OCC[C@H]1CO1 D72936 [0,2,0,0,0,0|0,0,0]=2 69 B6R1.3 OCC[C@H]1CO1 D74321 [0,2,0,0,0,0|0,0,0]=2 70 B6R1.7 C#CC1(C)CC1 C93202 [0,2,0,0,0,0|1,0,0]=3 71 B6R1.7 CC1(C=O)CC1 90939 [0,2,0,0,0,0|1,0,0]=3 72 B6R1.7 OCC1(Br)CC1 AT25121 [0,2,0,0,0,0|1,0,0]=3 73 B6R1.7 [2H][C@]1(CCl)CO1 D99350 [0,2,0,0,0,0|0,0,0]=2 74 B6R1.8 CC1CC1CN E73335 [0,2,0,0,0,0|1,0,0]=3 75 B6R1.8 COC1CC1N 92032 [0,2,0,0,0,0|1,0,0]=3 76 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,2,0,0,0,0|1,0,0]=3 77 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,2,0,0,0,0|1,0,0]=3 78 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,2,0,0,0,0|1,0,0]=3 79 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,2,0,0,0,0|1,0,0]=3 80 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,2,0,0,0,0|1,0,0]=3 81 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,2,0,0,0,0|1,0,0]=3 82 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,2,0,0,0,0|1,0,0]=3 83 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,2,0,0,0,0|1,0,0]=3 84 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,2,0,0,0,0|1,0,0]=3 85 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,2,0,0,0,0|1,0,1]=4 86 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,2,0,0,0,0|1,0,1]=4 87 B6R1.8 NC1CC1CF AT23905 [0,2,0,0,0,0|1,0,0]=3 88 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,2,0,0,0,0|1,0,0]=3 89 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,2,0,0,0,0|1,0,0]=3 90 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,2,0,0,0,0|1,0,0]=3 91 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,2,0,0,0,0|1,0,0]=3 92 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,2,0,0,0,0|1,0,0]=3 93 B6R1.8 O=CC1CC1Cl C77400 [0,2,0,0,0,0|1,0,1]=4 94 B6R1.8 OCC1CC1Cl AT20161 [0,2,0,0,0,0|1,0,0]=3 95 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,2,0,0,0,0|1,0,0]=3 96 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,2,0,0,0,0|1,0,0]=3 97 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,2,0,0,0,0|1,0,0]=3 98 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,2,0,0,0,0|1,0,0]=3 99 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [0,2,0,0,0,0|0,0,0]=2 100 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [0,2,0,0,0,0|0,0,0]=2 101 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [0,2,0,0,0,0|2,0,0]=4 102 B6R1.9 CC1(C)C[C@@H]1O P19509 [0,2,0,0,0,0|1,0,0]=3 103 B6R1.9 O[C@H]1CC1(F)F F17971 [0,2,0,0,0,0|2,0,0]=4 104 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,0,0,2|2,0,0]=4 105 B6R1.2 CC1=NNCC1 D76466 [0,0,0,0,0,2|1,0,1]=4 106 B6R1.2 CN1CC=CC1 A10777 [0,0,0,0,0,2|2,0,0]=4 107 B6R1.2 O=C1C=COC1 D75288 [0,0,0,0,0,2|1,0,1]=4