0 B7R0.4 COCCNC(N)=S BB31-0310 [0,0,0,0,0,0|3,1,0]=4 1 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 NC(=O)CCCCO BB31-4574 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 O=C([O-])COCCO BB31-2744 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 OB(O)CCCCBr BB31-5383 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 COCCC(=N)N BB31-7023 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 COCOC(C)=O BB32-2824 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 NCCNC(N)=O BB32-3910 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 C#CCCCCN BB31-0286 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 N#CCCCCN BB32-3572 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 OCCNCCCl BB31-4678 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 OCCOCCI BB31-1660 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.7 C#CCOCCC(=O)O BB32-2922 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.7 CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.7 CCCC\C=C\B(O)O BB32-1408 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,1,0,0,0,0|0,0,1]=2 27 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.4 C[C@H]1CNC[C@H](C)O1 BB31-4452 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 O[C@H]1CCC[C@@H](O)C1 BB31-4741 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 CC(N)C1CCCC1 BB32-0478 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.7 N=C(N)C1CCCO1 BB32-3453 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,0|0,0,0]=1 68 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [0,0,0,1,0,0|1,0,1]=3 72 B8R1.72 CC1(O)CCSCC1 BB31-7851 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.72 N=S1(=O)CCOCC1 BB32-3683 [0,0,0,1,0,0|3,0,0]=4 74 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.2 C=CCCCI BB31-6966 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 C=CCCCN BB31-4446 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 CCSCCN BB31-5588 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|0,0,0]=2 82 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|0,0,0]=2 83 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,1,0,0,0,0|0,0,0]=2 88 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,1,0,0,0,0|0,0,1]=3 89 B7R0.1 CCCNCCOC BB31-6246 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.1 N#CCCCCCN BB31-4731 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [0,2,0,0,0,0|0,0,0]=2 93 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [0,2,0,0,0,0|0,0,0]=2 94 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [0,2,0,0,0,0|0,0,0]=2 95 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.58 CCCC(C)(O)CC(=O)O BB31-4704 [0,2,0,0,0,0|0,0,0]=2 98 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,2,0,0,0,0|0,0,1]=3 99 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [0,2,0,0,0,0|0,0,1]=3 101 B9R0.47 CCCCCC(=O)N(C)C BB31-6255 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [0,2,0,0,0,0|0,0,0]=2 103 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,2,0,0,0,0|0,0,0]=2 104 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,2,0,0,0,0|0,0,0]=2 106 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.51 C=CCCC(C)(C)C(=O)O BB32-3030 [0,2,0,0,0,0|0,0,2]=4 109 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.10 COC1CC(=O)C1 BB31-4629 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.10 NCC1CC(=O)C1 BB31-2692 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|0,0,0]=2 119 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|0,0,0]=2 120 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.18 CC(=O)N1CCC1 BB32-2755 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.18 N=C(N)C1CCC1 BB31-6957 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.18 NC(=O)C1CNC1 BB31-1092 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.18 NC(=S)C1CCC1 BB31-2990 [1,0,0,1,0,0|1,1,0]=4 125 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|0,0,2]=4 126 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.1 OCC1CCNC1 BB52-8382 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.4 NC1CCNC1=O BB31-0754 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.4 NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.6 C=CCC1CNC1 BB31-3197 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.6 OCCC1COC1 BB31-4347 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.6 OCCN1CCC1 BB31-7265 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.7 CCCC1=NNC(=O)C1 BB52-7288 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,1,0,1,0,0|0,0,0]=2 138 B9R1.13 CC(=O)N[C@H]1CCNC1 BB31-0573 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.13 NC(=S)NC1CCCC1 BB31-8483 [0,1,0,1,0,0|1,1,0]=4 141 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [0,1,0,1,0,0|0,0,0]=2 142 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [0,1,0,1,0,0|0,0,0]=2 143 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [0,1,0,1,0,0|0,0,0]=2 144 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [0,1,0,1,0,0|0,0,0]=2 145 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|0,0,0]=2 146 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [0,1,0,1,0,0|0,0,0]=2 147 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [0,1,0,1,0,0|0,0,0]=2 148 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [0,1,0,1,0,0|0,0,0]=2 149 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.11 NC(CO)C1CCCC1 BB32-0727 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.11 O=C(CBr)N1CCCC1 BB53-1057 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.79 COC(=O)CC1COC1 BB31-2235 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.118 NC1(CO)CCCCC1 BB32-2688 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.6 NC(=O)N1CCNCC1 BB31-5203 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,1,0,1,0,0|0,0,0]=2 168 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 BB31-5360 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,1,0,1,0,0|0,0,0]=2 171 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,1,0,1,0,0|0,0,0]=2 172 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,1,0,1,0,0|0,0,0]=2 173 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,1,0,1,0,0|0,0,0]=2 175 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [0,1,0,1,0,0|0,0,1]=3 177 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [0,1,0,1,0,0|0,0,0]=2 181 B9R1.163 O=C(O)C1(F)CCNC1 BB31-0905 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 BB31-3648 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 BB31-1102 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 BB31-3647 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.147 CC1(CCC(=O)O)N=N1 BB31-4323 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.170 O=C(O)CC1CC1(F)F BB31-0929 [0,1,0,1,0,0|1,0,0]=3 189 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,2,0,0|1,0,0]=3 190 B9R2.138 O=C1CC2(CNC2)C1 BB31-3565 [0,0,0,2,0,0|2,0,0]=4 191 B9R2.138 O=C1CC2(COC2)C1 BB32-0310 [0,0,0,2,0,0|2,0,0]=4 192 B9R2.138 OC1CC2(CCC2)C1 BB31-2908 [0,0,0,2,0,0|1,0,1]=4 193 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|0,0,0]=2