0 B9R1.7 CCCC1=NN=C(O)O1 BB12-3090 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.7 CNCC1CCN(C)C1 BB55-6980 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CCC1COC(=O)N1 BB57-3665 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [1,0,0,0,0,0|2,1,0]=4 8 B8R1.8 BrCCC1CCCC1 BB31-4074 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.8 CCCC1CCCN1 BB56-1742 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.8 CCCC1CCNC1 BB55-7022 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 CCOC1CCNC1 BB12-1138 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CCOC1CCNC1 BB31-9892 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 CNCC1CCCC1 BB12-1620 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 COCC1CCCN1 BB56-0037 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 CSCC1CCCN1 BB56-0633 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 N#CCC1CCCO1 BB54-3910 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.8 NCCC1CCCC1 BB12-2130 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.8 NCCC1CCCN1 BB20-3166 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.8 NCCC1CCCO1 BB54-3985 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.8 OCCN1CCC=N1 BB55-7594 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.54 O=C(O)CC1CCC(=O)N1 BB58-3082 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.6 COCCCC(=O)OC BB57-3708 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.7 COCCCNC(N)=O BB01-7612 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.1 O=C1CCC(CCO)CC1 BB32-1714 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [0,0,0,0,0,1|2,0,0]=3 28 B7R0.1 CCCCOCCN BB53-1642 [1,0,1,0,0,0|1,0,1]=4 29 B7R0.1 CCCCSCCO BB54-1800 [1,0,1,0,0,0|1,0,1]=4 30 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.3 CCC(=O)NCCN BB12-2323 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.3 CCCCC(=O)NN BB12-2550 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.3 CNC(=O)CCCN BB55-7167 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.3 CNCCC(=O)NC BB12-1428 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.7 CCCC(N)CCC BB54-4015 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.4 CC(=O)NCCCN BB32-2735 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.4 CC(=O)NCCCO BB12-3384 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,1,0,0,0|1,0,0]=3 41 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|1,0,0]=3 45 B7R0.4 O=C(O)CNCCO BB58-1263 [1,0,1,0,0,0|2,0,0]=4 46 B7R1.1 CCC1CCCN1 BB55-8085 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.1 NCC1CCCO1 BB12-1343 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.2 CC1CNC(=O)C1 BB58-5429 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.2 CC1CNC(=O)O1 BB57-3655 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.2 CC1COC(=O)N1 BB57-2454 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,1,1,0,0,0|0,0,0]=2 53 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,1,1,0,0,0|0,0,0]=2 54 B9R0.2 CCOCCCNC(N)=O BB01-7613 [0,1,1,0,0,0|2,0,0]=4 55 B9R0.17 CCCC(OCC)OCC BB12-3705 [0,1,1,0,0,0|1,0,1]=4 56 B9R1.11 CCC(C)C1CCCN1 BB56-0692 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.12 CCCCC1CCCN1 BB56-0702 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.12 CCCCC1CCNC1 BB56-1976 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.12 NCCCC1CCCC1 BB32-3179 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.12 NCCCC1CCOC1 BB54-1028 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.13 CC(C)CC1CCCN1 BB56-0309 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.13 CC(C)CC1CCNC1 BB55-7023 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 COCCN1CCC(=O)CC1 BB32-2451 [0,1,0,0,0,1|2,0,0]=4 64 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,0,1,1,0,0|2,0,0]=4 66 B9R1.69 CC1CN(C)CCC1=O BB54-0258 [0,0,1,1,0,0|2,0,0]=4 67 B9R1.69 CN1CC(N)CCC1=O BB58-3748 [0,0,1,1,0,0|2,0,0]=4 68 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,1,1,0,0|2,0,0]=4 69 B9R1.171 CC(=O)NC1(C)CCC1 BB57-5820 [0,0,1,1,0,0|1,0,0]=3 70 B9R1.3 CC1C(=O)NCCN1C BB57-3770 [0,0,1,1,0,0|2,0,0]=4 71 B9R1.79 COC(=O)CC1CCC1 BB31-7337 [0,0,1,1,0,0|2,0,0]=4 72 B9R1.80 O=C(CCl)NCC1CC1 BB32-2854 [0,0,1,1,0,0|2,0,0]=4 73 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [0,0,1,1,0,0|2,0,0]=4 74 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,0,1,1,0,0|2,0,0]=4 75 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [0,0,1,1,0,0|2,0,0]=4 76 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [0,0,1,1,0,0|2,0,0]=4 77 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [0,0,1,1,0,0|1,1,0]=4 78 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,0,1,1,0,0|1,0,0]=3 79 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,0,1,1,0,0|1,0,0]=3 80 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,0,1,1,0,0|1,0,0]=3 81 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,0,1,1,0,0|1,0,0]=3 82 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [0,0,1,1,0,0|2,0,0]=4 83 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,0,1,1,0,0|2,0,0]=4 84 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,0,1,1,0,0|0,0,0]=2 85 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,1,1,0,0|1,0,0]=3 86 B9R2.139 O=C1CC2(CC2)CN1 BB58-3835 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.34 O=C1CCN(C2CC2)CC1 BB58-0359 [0,0,0,1,0,1|2,0,0]=4 88 B11R2.106 O=C1CCNC2CCCC12 BB54-5685 [0,0,0,1,0,1|1,0,0]=3 89 B11R2.1 O=C1CCC2CNCCN12 BB31-8967 [0,1,0,1,0,0|1,0,0]=3 90 B11R2.10 O=C1OC2CCCCC2O1 BB54-0661 [0,1,0,1,0,0|1,0,0]=3 91 B11R2.126 CC12CCC(=O)N1CCN2 BB01-8244 [0,1,0,1,0,0|2,0,0]=4 92 B11R2.1074 CC1(C2CC2)CNC(=O)C1 BB55-7006 [0,1,0,1,0,0|2,0,0]=4 93 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,0,1,0,1,0|2,0,0]=4 94 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,0,1,0,1,0|2,0,0]=4 95 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,0,1,0,1,0|2,0,0]=4 96 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,0,1,0|1,0,1]=4 97 B7R1.6 OCCC1CCC1 BB31-5201 [1,0,0,0,1,0|1,0,1]=4