0 B5R1.1 C1CNNC1 BB31-6290 [0,0,0,0,0,0|1,0,0]=1 1 B5R1.1 C1CNOC1 BB31-7828 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 BrC1CCSC1 BB52-7755 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,1,0,0,0,0|0,0,0]=1 4 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,1,0,0,0,0|0,0,0]=1 5 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,1,0,0,0,0|0,0,0]=1 6 B6R1.2 NC1=NCCO1 BB32-1676 [0,1,0,0,0,0|1,0,2]=4 7 B6R1.2 NC1CCSC1 BB52-7752 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 OC1CCSC1 BB52-7751 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,1,0,0,0,0|1,0,0]=2 10 B4R0.2 C=CCCI BB31-6880 [0,0,1,0,0,0|1,0,2]=4 11 B4R0.2 NCCON BB32-1546 [0,0,1,0,0,0|2,0,0]=3 12 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,0,0,1|0,0,1]=2 13 B6R1.1 C1CCONC1 BB31-4954 [0,0,0,0,0,1|0,0,0]=1 14 B6R1.1 C1CNCOC1 BB31-2552 [0,0,0,0,0,1|0,0,0]=1 15 B5R0.1 CC(=O)CCBr BB31-4479 [0,1,1,0,0,0|1,0,1]=4 16 B5R0.1 CC(O)CCBr BB32-3029 [0,1,1,0,0,0|1,0,0]=3 17 B5R0.1 CNCC(F)F BB31-9778 [0,1,1,0,0,0|1,0,0]=3 18 B5R0.1 COCC(C)Br BB31-8127 [0,1,1,0,0,0|1,0,0]=3 19 B5R0.1 COCC(N)=O BB31-3207 [0,1,1,0,0,0|1,0,1]=4 20 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,1,1,0,0,0|0,0,2]=4 21 B5R0.2 C#CCCCBr BB31-4992 [0,1,1,0,0,0|1,0,1]=4 22 B5R0.2 C=CCCCI BB31-6966 [0,1,1,0,0,0|1,0,1]=4 23 B5R0.2 C=CCCCN BB31-4446 [0,1,1,0,0,0|0,0,1]=3 24 B5R0.2 CCSCCN BB31-5588 [0,1,1,0,0,0|0,0,0]=2 25 B5R0.2 N#CCCCN BB32-0548 [0,1,1,0,0,0|0,0,1]=3 26 B5R0.2 OCCCCI BB32-2029 [0,1,1,0,0,0|1,0,0]=3 27 B5R0.3 CC(CO)CBr BB31-7772 [0,1,1,0,0,0|2,0,0]=4 28 B5R0.3 CCC(=O)CN BB31-8248 [0,1,1,0,0,0|0,0,1]=3 29 B5R0.3 CO[C@@H](C)CO BB31-0453 [0,1,1,0,0,0|2,0,0]=4 30 B5R0.3 NCC(Br)CBr BB31-7157 [0,1,1,0,0,0|1,0,0]=3 31 B5R0.3 NCC(O)CCl BB31-4889 [0,1,1,0,0,0|1,0,0]=3 32 B5R1.2 BrC1CNC1 BB31-5774 [0,1,0,0,1,0|0,0,0]=2 33 B5R1.2 CC1CCN1 BB31-0642 [0,1,0,0,1,0|0,0,0]=2 34 B5R1.2 ClC1CNC1 BB31-7993 [0,1,0,0,1,0|0,0,0]=2 35 B5R1.2 NC1CSC1 BB31-1853 [0,1,0,0,1,0|1,0,0]=3 36 B5R1.2 SC1CNC1 BB31-3722 [0,1,0,0,1,0|0,0,0]=2 37 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,0,0,1|0,0,1]=3 39 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,0,0,1|0,0,0]=2 40 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,0,0,1|0,0,0]=2 41 B7R1.3 IC1CCNCC1 BB32-0018 [0,1,0,0,0,1|0,0,0]=2 42 B7R1.3 NC1=NCCCN1 BB32-1452 [0,1,0,0,0,1|0,0,1]=3 43 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,0,0,1|1,0,0]=3 44 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,0,0,1|1,0,0]=3 45 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,0,0,1|0,0,2]=4 46 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,0,0,1|0,0,1]=3 47 B7R1.3 O=S1CCNCC1 BB32-3985 [0,1,0,0,0,1|0,0,0]=2 48 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,0,0,1|1,0,0]=3 49 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,0,0,1|1,0,0]=3 50 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,0,0,1|0,0,0]=2 51 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,0,0,1|0,0,0]=2 52 B7R1.1 BrCC1=CCCC1 BB32-3867 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.1 C#CC1CCCN1 BB31-1749 [0,2,0,0,0,0|0,0,0]=2 54 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,2,0,0,0,0|0,0,0]=2 55 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,2,0,0,0,0|1,0,0]=3 57 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,2,0,0,0,0|0,0,0]=2 58 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,2,0,0,0,0|0,0,0]=2 59 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,2,0,0,0,0|0,0,0]=2 60 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,2,0,0,0,0|0,0,0]=2 61 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [0,2,0,0,0,0|0,0,0]=2 62 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [0,2,0,0,0,0|0,0,0]=2 63 B7R1.1 N#C[C@H]1CCNC1 BB31-0628 [0,2,0,0,0,0|0,0,0]=2 64 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,2,0,0,0,0|1,0,0]=3 65 B7R1.1 OCC1CCNC1 BB52-8382 [0,2,0,0,0,0|0,0,0]=2 66 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,2,0,0,0,0|1,0,0]=3 67 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,2,0,0,0,0|0,0,0]=2 68 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,2,0,0,0,0|0,0,1]=3 69 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,2,0,0,0,0|0,0,1]=3 70 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,2,0,0,0,0|1,0,0]=3 72 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,2,0,0,0,0|1,0,0]=3 75 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,2,0,0,0,0|0,0,1]=3 76 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,2,0,0,0,0|0,0,2]=4 79 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.4 NC1CCNC1=O BB31-0754 [0,2,0,0,0,0|0,0,1]=3 82 B7R1.4 NC1CCOC1=O BB52-6516 [0,2,0,0,0,0|1,0,1]=4 83 B7R1.4 N[C@@H]1CNC[C@H]1F BB31-1134 [0,2,0,0,0,0|0,0,0]=2 84 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,2,0,0,0,0|1,0,0]=3 86 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,2,0,0,0,0|1,0,0]=3 87 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,2,0,0,0,0|0,0,0]=2 92 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,2,0,0,0,0|0,0,0]=2 93 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,2,0,0,0,0|0,0,0]=2 94 B7R1.14 CC1(C)COCN1 BB31-4898 [0,2,0,0,0,0|1,0,0]=3 95 B7R1.14 FC1(F)CCNC1 BB31-8014 [0,2,0,0,0,0|0,0,0]=2 96 B7R1.14 O=S1(=O)NCCN1 BB31-5480 [0,2,0,0,0,0|2,0,0]=4 97 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [0,0,1,1,0,0|1,0,0]=3 98 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [0,0,1,1,0,0|1,0,0]=3 99 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [0,0,1,1,0,0|1,0,0]=3 100 B7R2.11 C1NC2CC1C2 BB31-5093 [0,1,0,1,0,0|0,0,0]=2