0 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.1 C1CCONC1 BB31-4954 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 C1CNCOC1 BB31-2552 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,0,0,0|1,0,1]=3 4 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,0,0,0|1,0,1]=3 5 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 IC1CCNCC1 BB32-0018 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 NC1=NCCCN1 BB32-1452 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,0,0,0|1,0,1]=3 13 B7R1.3 O=S1CCNCC1 BB32-3985 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.2 C=CCCCN BB31-4446 [0,0,1,0,0,0|1,0,2]=4 19 B5R0.2 CCSCCN BB31-5588 [0,0,1,0,0,0|1,0,0]=2 20 B5R0.2 N#CCCCN BB32-0548 [0,0,1,0,0,0|2,0,1]=4 21 B5R0.2 OCCCCI BB32-2029 [0,0,1,0,0,0|3,0,0]=4 22 B5R1.1 C1CNNC1 BB31-6290 [0,0,0,0,1,0|1,0,0]=2 23 B5R1.1 C1CNOC1 BB31-7828 [0,0,0,0,1,0|1,0,0]=2 24 B4R0.2 NCCON BB32-1546 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,1,1,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(=N)N BB31-8730 [0,1,1,0,0,0|1,0,1]=4 27 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,1,0,0,0|1,0,1]=4 28 B6R0.6 C#CCCCCN BB31-0286 [0,1,1,0,0,0|1,0,1]=4 29 B6R0.6 CNCCCCCl BB31-7841 [0,1,1,0,0,0|1,0,0]=3 30 B6R0.6 N#CCCCCN BB32-3572 [0,1,1,0,0,0|1,0,1]=4 31 B6R0.6 NCCNCCN BB31-4178 [0,1,1,0,0,0|0,0,0]=2 32 B6R0.6 OCCNCCCl BB31-4678 [0,1,1,0,0,0|1,0,0]=3 33 B6R0.6 OCCOCCI BB31-1660 [0,1,1,0,0,0|2,0,0]=4 34 B6R1.2 BrC1CCSC1 BB52-7755 [0,1,0,0,1,0|1,0,0]=3 35 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,1,0,0,1,0|0,0,0]=2 36 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,1,0,0,1,0|0,0,0]=2 37 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,1,0,0,1,0|0,0,0]=2 38 B6R1.2 NC1CCSC1 BB52-7752 [0,1,0,0,1,0|1,0,0]=3 39 B6R1.2 OC1CCSC1 BB52-7751 [0,1,0,0,1,0|1,0,0]=3 40 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,1,0,0,1,0|1,0,0]=3 41 B8R1.22 CC1CCCCCN1 BB32-1446 [0,1,0,0,0,1|1,0,0]=3 42 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,1,0,0,0,1|1,0,1]=4 43 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,1,0,0,0,1|1,0,0]=3 44 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,1,0,0,0,1|1,0,0]=3 45 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,1,0,0,0,1|2,0,0]=4 46 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,1,0,0,0,1|0,0,1]=3 47 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,1,0,0,0,1|0,0,1]=3 48 B8R1.22 OC1CCCNCC1 BB31-0709 [0,1,0,0,0,1|1,0,0]=3 49 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.2 C#CC1CCCNC1 BB31-7363 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.2 CCC1CCCNC1 BB31-8098 [0,2,0,0,0,0|1,0,0]=3 52 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [0,2,0,0,0,0|1,0,0]=3 53 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.2 CNC1CCOCC1 BB31-5860 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.2 CSC1CCNCC1 BB31-4110 [0,2,0,0,0,0|1,0,0]=3 57 B8R1.2 ClCC1CCNCC1 BB31-3587 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 ClCC1COCCO1 BB52-8716 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.2 ICC1CCCCO1 BB32-2266 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.2 N#C[C@@H]1CCCNC1 BB31-8899 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.2 NC[C@@H]1COCCO1 BB32-0561 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.2 NNC1CCNCC1 BB32-1669 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.2 O=CC1CCNCC1 BB31-0713 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.2 ONC1CCCCC1 BB31-6264 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,2,0,0,0,0|1,0,1]=4 67 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,2,0,0,0,0|1,0,1]=4 71 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,2,0,0,0,0|1,0,1]=4 72 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,2,0,0,0,0|1,0,1]=4 73 B8R1.3 O[C@H]1CC[C@@H](O)CC1 BB31-4868 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,2,0,0,0,0|1,0,1]=4 75 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,2,0,0,0,0|1,0,1]=4 76 B8R1.4 CN1CCC[C@H](N)C1 BB31-0661 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-0644 [0,2,0,0,0,0|0,0,0]=2 78 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-9150 [0,2,0,0,0,0|0,0,0]=2 79 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 BB31-3152 [0,2,0,0,0,0|0,0,0]=2 80 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,2,0,0,0,0|1,0,1]=4 82 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-0557 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-3290 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.4 C[C@H]1CN(C)CCN1 BB31-0643 [0,2,0,0,0,0|0,0,0]=2 86 B8R1.4 C[C@H]1CNC[C@H](C)O1 BB31-4452 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.4 C[C@H]1COC[C@@H](C)N1 BB32-0573 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,2,0,0,0,0|1,0,1]=4 91 B8R1.4 O[C@H]1CCC[C@@H](O)C1 BB31-4741 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.5 CC1COCCC1=O BB31-0779 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.5 CN1CCOCC1=O BB31-4094 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.5 C[C@@H]1CNCCN1C BB31-0645 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.5 C[C@@H]1CNCCN1C BB32-3303 [0,2,0,0,0,0|0,0,0]=2 96 B8R1.5 C[C@H]1CNCCN1C BB32-2670 [0,2,0,0,0,0|0,0,0]=2 97 B8R1.5 NC1CCCCC1=O BB31-7416 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.5 NC1CCCNC1=O BB52-8540 [0,2,0,0,0,0|1,0,1]=4 99 B8R1.5 N[C@@H]1CCOC[C@H]1F BB31-3963 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.5 N[C@@H]1CCOC[C@H]1O BB31-3182 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.5 N[C@H]1COCC[C@@H]1O BB31-1009 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.5 O=C1CCOCC1F BB32-3113 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,2,0,0,0,0|1,0,1]=4 105 B8R1.5 O[C@@H]1CCNC[C@@H]1F BB31-2789 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.5 O[C@H]1CNCC[C@H]1O BB32-2494 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.72 CC1(C)CNCCO1 BB31-3353 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.72 CC1(F)CCNCC1 BB31-0305 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.72 CC1(O)CCSCC1 BB31-7851 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.72 N=S1(=O)CCOCC1 BB32-3683 [0,2,0,0,0,0|2,0,0]=4 111 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,1,1,0,0|2,0,0]=4 112 B6R1.3 CCNC1CC1 BB31-5032 [0,0,1,1,0,0|1,0,0]=3 113 B6R1.3 ICCC1CC1 BB32-1715 [0,0,1,1,0,0|2,0,0]=4 114 B6R1.3 NNCC1CC1 BB31-6121 [0,0,1,1,0,0|2,0,0]=4 115 B6R1.3 NNCC1CC1 BB31-9304 [0,0,1,1,0,0|2,0,0]=4 116 B6R1.3 NOCC1CC1 BB31-6884 [0,0,1,1,0,0|2,0,0]=4 117 B6R1.6 CNC1CCC1 BB31-5108 [0,0,1,1,0,0|1,0,0]=3 118 B6R1.6 COC1CNC1 BB51-2847 [0,0,1,1,0,0|1,0,0]=3 119 B6R1.6 CSC1CNC1 BB31-2729 [0,0,1,1,0,0|1,0,0]=3 120 B6R1.6 NNC1CCC1 BB31-0660 [0,0,1,1,0,0|2,0,0]=4 121 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [0,0,1,1,0,0|1,0,0]=3 122 B6R1.6 OC[C@H]1CCN1 BB31-4144 [0,0,1,1,0,0|1,0,0]=3 123 B8R2.25 C1CC2OC2CO1 BB31-4489 [0,0,0,1,0,1|2,0,0]=4 124 B8R2.2 CC12CCCC1O2 BB32-0835 [0,1,0,1,0,0|2,0,0]=4 125 B8R2.23 C1OCC2CC1N2 BB31-5314 [0,1,0,1,0,0|1,0,0]=3 126 B8R2.34 C1N[C@@H]2CN[C@H]1C2 BB32-2402 [0,1,0,1,0,0|0,0,0]=2