0 B6R1.2 Br[C@H]1CCNC1 D87521 [0,1,0,0,0,0|0,0,0]=1 1 B6R1.2 CC1=NNCC1 D76466 [0,1,0,0,0,0|1,0,1]=3 2 B6R1.2 CN1CC=CC1 A10777 [0,1,0,0,0,0|0,0,2]=3 3 B4R0.2 NOCCF AT14503 [0,0,1,0,0,0|2,0,0]=3 4 B3R0.1 N[13CH2][13CH2]N D98346 [1,0,1,0,0,0|1,0,0]=3 5 B3R0.1 [2H]CCI D99684 [1,0,1,0,0,0|2,0,0]=4 6 B3R0.1 [2H]CCO D98012 [1,0,1,0,0,0|2,0,0]=4 7 B5R0.1 BrCCC(Br)Br AT23421 [0,1,1,0,0,0|2,0,0]=4 8 B5R0.1 CNC[C@H](C)O C77457 [0,1,1,0,0,0|0,0,0]=2 9 B5R0.1 COCC(=N)N D87837 [0,1,1,0,0,0|1,0,1]=4 10 B5R0.1 C[C@H](F)CCN D76461 [0,1,1,0,0,0|0,0,0]=2 11 B5R0.1 C[C@H](N)CCF AT11794 [0,1,1,0,0,0|1,0,0]=3 12 B5R0.1 C[C@H](O)CCN D77178 [0,1,1,0,0,0|0,0,0]=2 13 B5R0.1 C[S@](=O)CCN AT24515 [0,1,1,0,0,0|1,0,0]=3 14 B5R0.1 FC(F)CCBr AT23420 [0,1,1,0,0,0|2,0,0]=4 15 B5R0.2 C#CCNOC AT24887 [0,1,1,0,0,0|0,0,2]=4 16 B5R0.2 C=CCNOC AT24925 [0,1,1,0,0,0|0,0,2]=4 17 B5R0.2 CCNCCS AT25561 [0,1,1,0,0,0|0,0,0]=2 18 B5R0.2 CCOCC=O AT18655 [0,1,1,0,0,0|1,0,1]=4 19 B5R0.2 CNCCCF AT22549 [0,1,1,0,0,0|0,0,0]=2 20 B5R0.2 CSSCCN AT25568 [0,1,1,0,0,0|1,0,0]=3 21 B5R0.2 NCCCCF D75976 [0,1,1,0,0,0|0,0,0]=2 22 B5R0.2 NCCCCS AT25915 [0,1,1,0,0,0|0,0,0]=2 23 B5R0.2 O=CCCCBr AT24507 [0,1,1,0,0,0|1,0,1]=4 24 B5R0.2 [C-]#[N+]CCSC AT25542 [0,1,1,0,0,0|0,0,2]=4 25 B5R0.3 C#C[C@@H](O)CN F30338 [0,1,1,0,0,0|0,0,2]=4 26 B5R0.3 CC[C@H](F)CN D76437 [0,1,1,0,0,0|0,0,0]=2 27 B5R0.3 CC[C@H](N)CF AC5314 [0,1,1,0,0,0|1,0,0]=3 28 B5R0.3 CC[C@H](O)CN D72871 [0,1,1,0,0,0|0,0,0]=2 29 B5R0.3 C[C@@H](CN)CO 70250 [0,1,1,0,0,0|1,0,0]=3 30 B5R0.3 NC[C@H](F)CO AT21905 [0,1,1,0,0,0|1,0,0]=3 31 B5R0.3 NC[C@H](N)CO D75091 [0,1,1,0,0,0|1,0,0]=3 32 B5R0.3 NC[C@H](N)CO D75092 [0,1,1,0,0,0|1,0,0]=3 33 B5R0.3 N[C@@H](CO)CF D75094 [0,1,1,0,0,0|2,0,0]=4 34 B5R0.3 OC[C@H](O)CF AT22386 [0,1,1,0,0,0|2,0,0]=4 35 B5R1.2 C[C@H]1CCN1 S11047 [0,1,0,0,1,0|0,0,0]=2 36 B5R1.2 SC1CCC1 AT12396 [0,1,0,0,1,0|0,0,0]=2 37 B5R1.2 [18F]C1CNC1 AT24717 [0,1,0,0,1,0|0,0,0]=2 38 B7R1.3 C=C1CCNCC1 D77655 [0,1,0,0,0,1|0,0,0]=2 39 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,0,0,1|0,0,0]=2 40 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,0,0,1|0,0,0]=2 41 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,1,0,0,0,1|1,0,0]=3 42 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,1,0,0,0,1|1,0,0]=3 43 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,1,0,0,0,1|0,0,0]=2 44 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [0,2,0,0,0,0|1,0,0]=3 47 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,2,0,0,0,0|0,0,0]=2 48 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,2,0,0,0,0|1,0,0]=3 50 B7R1.1 C=CN1CCCC1 C11100 [0,2,0,0,0,0|0,0,0]=2 51 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,2,0,0,0,0|0,0,0]=2 52 B7R1.1 FC[C@H]1CCCN1 P12557 [0,2,0,0,0,0|0,0,0]=2 53 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,2,0,0,0,0|0,0,0]=2 54 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,2,0,0,0,0|1,0,1]=4 55 B7R1.1 NO[C@H]1CCOC1 97657 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,2,0,0,0,0|1,0,0]=3 57 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.1 O=C[C@H]1CCOC1 58457 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.1 O=C[C@H]1CCOC1 58458 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.1 OC[C@H]1CCON1 AT14857 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,2,0,0,0,0|0,0,0]=2 62 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,2,0,0,0,0|0,0,1]=3 63 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,2,0,0,0,0|0,0,1]=3 64 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,2,0,0,0,0|0,0,1]=3 65 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,2,0,0,0,0|0,0,1]=3 66 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,2,0,0,0,0|0,0,1]=3 67 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,2,0,0,0,0|0,0,0]=2 68 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,2,0,0,0,0|0,0,0]=2 69 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,2,0,0,0,0|0,0,0]=2 70 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,2,0,0,0,0|0,0,0]=2 71 B7R1.2 NC1CCC(F)C1 E72865 [0,2,0,0,0,0|1,0,0]=3 72 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,2,0,0,0,0|0,0,1]=3 75 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,2,0,0,0,0|1,0,0]=3 76 B7R1.4 CC1CNCC1N AT23640 [0,2,0,0,0,0|0,0,0]=2 77 B7R1.4 CC1NCCC1O 94946 [0,2,0,0,0,0|0,0,0]=2 78 B7R1.4 CC1NCCC1O AT22499 [0,2,0,0,0,0|0,0,0]=2 79 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,2,0,0,0,0|1,0,0]=3 80 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,2,0,0,0,0|0,0,1]=3 81 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,2,0,0,0,0|0,0,0]=2 82 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,2,0,0,0,0|0,0,0]=2 83 B7R1.4 C[C@H]1CCNC1=O D72756 [0,2,0,0,0,0|0,0,1]=3 84 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,2,0,0,0,0|0,0,0]=2 85 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,2,0,0,0,0|0,0,0]=2 86 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,2,0,0,0,0|0,0,0]=2 87 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,2,0,0,0,0|0,0,0]=2 88 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.4 C[C@H]1CONC1=O D73580 [0,2,0,0,0,0|1,0,1]=4 90 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,2,0,0,0,0|0,0,0]=2 91 B7R1.4 NC1COCC1F E72312 [0,2,0,0,0,0|1,0,0]=3 92 B7R1.4 N[C@@H]1CNC[C@@H]1F D75765 [0,2,0,0,0,0|0,0,0]=2 93 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,2,0,0,0,0|1,0,0]=3 95 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,2,0,0,0,0|1,0,0]=3 97 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,2,0,0,0,0|1,0,0]=3 98 B7R1.4 O=C1CCNC1=O AT24684 [0,2,0,0,0,0|0,0,2]=4 99 B7R1.14 CC1(C)C=CCC1 AC8462 [0,2,0,0,0,0|1,0,1]=4 100 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,2,0,0,0,0|0,0,0]=2 101 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,2,0,0,0,0|0,0,0]=2 102 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,2,0,0,0,0|0,0,0]=2 103 B5R1.4 CC1CC1Br AT22556 [0,0,1,1,0,0|1,0,0]=3 104 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [0,0,1,1,0,0|0,0,0]=2 105 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [0,0,1,1,0,0|0,0,0]=2 106 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [0,0,1,1,0,0|0,0,0]=2 107 B5R1.4 FC1CC1Br CS2874 [0,0,1,1,0,0|2,0,0]=4 108 B5R1.4 NC1CC1F P19355 [0,0,1,1,0,0|1,0,0]=3 109 B5R1.4 NC1CC1N AC7084 [0,0,1,1,0,0|1,0,0]=3 110 B5R1.4 NC1CC1O 92033 [0,0,1,1,0,0|1,0,0]=3 111 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [0,0,1,1,0,0|1,0,0]=3 112 B5R1.4 N[C@H]1C[C@H]1N AT11451 [0,0,1,1,0,0|1,0,0]=3 113 B7R2.13 C1=CC2OC2C1 N13191 [0,0,0,1,0,1|1,0,1]=4 114 B7R2.13 C1CC2NC2C1 AT21516 [0,0,0,1,0,1|0,0,0]=2 115 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,1,0,1|0,0,0]=2 116 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,1,0,1|0,0,0]=2 117 B7R2.11 C1NC2CC1C2 P12110 [0,1,0,1,0,0|0,0,0]=2