0 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,1,0,0,0,0|0,0,1]=2 9 B7R0.1 N#CCCCCCN BB31-4731 [0,0,1,0,0,0|1,0,1]=3 10 B7R0.1 O=CNCCNC=O BB31-6256 [0,0,1,0,0,0|2,0,1]=4 11 B7R0.4 COCCNC(N)=S BB31-0310 [0,0,1,0,0,0|2,1,0]=4 12 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.4 NC(=O)CCCCO BB31-4574 [0,0,1,0,0,0|1,0,0]=2 14 B7R0.4 O=C([O-])COCCO BB31-2744 [0,0,1,0,0,0|3,0,0]=4 15 B9R2.68 C1CC2CCC(C1)N2 BB31-4852 [0,0,0,1,0,0|2,0,1]=4 16 B9R2.68 C1CN2CCC(C2)N1 BB32-2899 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.3 CC1=CCNCC1 BB31-4858 [0,0,0,0,1,0|2,0,1]=4 18 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,0,0,0,1,0|2,0,1]=4 19 B7R1.3 IC1CCNCC1 BB32-0018 [0,0,0,0,1,0|2,0,1]=4 20 B7R1.3 NC1=NCCCN1 BB32-1452 [0,0,0,0,1,0|2,0,0]=3 21 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,0,0,0,1,0|2,0,1]=4 22 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,0,0,0,1,0|2,0,1]=4 23 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,0,0,0,1,0|0,0,2]=3 24 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,0,0,1,0|2,0,0]=3 25 B7R1.3 O=S1CCNCC1 BB32-3985 [0,0,0,0,1,0|2,0,0]=3 26 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,0,0,0,1,0|1,0,2]=4 27 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,0,0,1,0|0,1,0]=2 28 B7R1.3 SC1CCCNC1 BB31-1279 [0,0,0,0,1,0|1,1,1]=4 29 B6R0.6 C#CCCCCN BB31-0286 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 CNCCCCCl BB31-7841 [1,0,1,0,0,0|1,0,1]=4 31 B6R0.6 N#CCCCCN BB32-3572 [1,0,1,0,0,0|1,0,1]=4 32 B6R0.6 NCCNCCN BB31-4178 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.1 CCCC(=O)CCl BB31-4027 [1,0,1,0,0,0|1,0,0]=3 34 B6R0.1 NNC(=O)CCO BB31-4269 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.4 COCCC(=N)N BB31-7023 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.4 COCOC(C)=O BB32-2824 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.4 NCCNC(N)=O BB32-3910 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,1,0,0,0|1,0,1]=4 41 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,1,1,0,0,0|2,0,0]=4 42 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,1,1,0,0,0|1,0,0]=3 43 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,1,0,0,0|0,0,0]=2 44 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,1,1,0,0,0|1,0,0]=3 45 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,1,1,0,0,0|2,0,0]=4 46 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,1,0,0,0|1,0,0]=3 47 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,1,1,0,0,0|1,0,0]=3 48 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,1,1,0,0,0|1,0,1]=4 49 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,1,1,0,0,0|1,0,1]=4 50 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,1,0,0,1,0|1,0,1]=4 51 B8R1.2 O=CC1CCNCC1 BB31-0713 [0,1,0,0,1,0|1,0,1]=4 52 B8R1.2 ONC1CCCCC1 BB31-6264 [0,1,0,0,1,0|0,0,2]=4 53 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,1,0,0,1,0|1,0,0]=3 54 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,1,0,0,1,0|1,0,1]=4 55 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,1,0,0,1,0|0,0,0]=2 56 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,1,0,0,1,0|0,0,0]=2 57 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,1,0,0,1,0|0,0,0]=2 58 B8R1.3 O[C@H]1CC[C@@H](O)CC1 BB31-4868 [0,1,0,0,1,0|0,0,2]=4 59 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,0,1,0|0,0,0]=2 60 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,0,1,0|1,0,0]=3 62 B8R1.4 CN1CCC[C@H](N)C1 BB31-0661 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,0,1,0|1,0,0]=3 65 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,1,0,0,1,0|0,0,2]=4 66 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,0,1,0|0,0,0]=2 67 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,0,1,0|0,0,0]=2 68 B8R1.4 O[C@H]1CCC[C@@H](O)C1 BB31-4741 [0,1,0,0,1,0|0,0,2]=4 69 B8R1.5 CC1COCCC1=O BB31-0779 [0,1,0,0,1,0|1,0,0]=3 70 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,0,1,0|1,0,0]=3 71 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,0,1,0|0,0,0]=2 72 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,0,1,0|0,0,0]=2 73 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,1,0,0,1,0|1,0,0]=3 74 B8R1.5 O=C1CCOCC1F BB32-3113 [0,1,0,0,1,0|1,0,0]=3 75 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,0,1,0|0,0,0]=2 76 B8R1.72 N=S1(=O)CCOCC1 BB32-3683 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,0,1,1,0,0|0,0,2]=4 79 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,0,1,1,0,0|1,0,1]=4 80 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,0,1,1,0,0|1,0,0]=3 81 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.38 COC(=O)C1COC1 BB31-3226 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [0,0,1,1,0,0|2,0,0]=4 86 B8R1.38 O=C(CBr)N1CCC1 BB31-6413 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.40 COC(=O)CC1CC1 BB32-1998 [0,0,1,1,0,0|1,0,0]=3 88 B8R1.50 CC1=NNC(=O)C1C BB52-7289 [0,0,1,1,0,0|1,0,1]=4 89 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.7 CC(N)C1CCCC1 BB32-0478 [0,0,1,1,0,0|1,0,1]=4 92 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [0,0,1,1,0,0|1,0,1]=4 93 B8R1.7 N=C(N)C1CCCO1 BB32-3453 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,0,1,1,0,0|1,0,0]=3 95 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,0,1,1,0,0|1,0,0]=3 96 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,1,1,0,0|1,0,0]=3 99 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,1,1,0,0|1,0,0]=3 101 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,0,1,1,0,0|2,0,0]=4 102 B10R2.2 O=C1CC2CNCC2C1 BB31-1561 [0,0,0,1,0,1|1,0,0]=3 103 B10R2.32 O=C1NN=C2CCCC12 BB52-7309 [0,0,0,1,0,1|0,0,1]=3 104 B10R2.32 O=C1NN=C2CCCN12 BB52-7677 [0,0,0,1,0,1|1,0,1]=4 105 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,1,0,1,0,0|1,0,0]=3 106 B10R2.178 O=C1CCC2CO[C@@H]1O2 BB54-2926 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.1 C1=NCCCN1 BB31-3113 [1,0,0,0,1,0|1,0,0]=3 108 B6R1.1 C1CCONC1 BB31-4954 [1,0,0,0,1,0|1,0,0]=3 109 B6R1.1 C1CNCOC1 BB31-2552 [1,0,0,0,1,0|1,0,0]=3