0 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 N=C(N)SCC(N)=O BB57-4170 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.6 NC(=O)NNC(N)=O BB12-2767 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 CC(=O)NCC#N BB57-3731 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,0,0,0,0|1,1,1]=4 11 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.9 CC(=O)NC\C(N)=N/O BB57-3732 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.9 NNC(=O)CCC(N)=O BB12-2408 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 C=C(NC(C)=O)C(=O)O BB01-7568 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CN(CC(=O)O)C(=S)S BB57-5253 [0,1,0,0,0,0|2,1,0]=4 35 B8R0.23 CN(CC(=O)O)C(N)=O BB57-2505 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.29 CS(=O)(=O)CCC(=O)O BB55-8892 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.29 CS(=O)(=O)NCC(=O)O BB55-4727 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,0|2,0,1]=4 43 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,0,0,0,1,0|3,0,0]=4 44 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,1,0|1,0,1]=3 45 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,1,0|1,0,1]=3 46 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,1,0|1,0,0]=2 47 B6R0.2 NC(=O)C[N+](=O)[O-] BB54-0037 [0,0,0,0,1,0|2,0,1]=4 48 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,1,0|2,0,1]=4 49 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,0,0,0,0,1|1,0,1]=3 50 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,1|2,0,0]=3 51 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,0,0,0,1|1,0,0]=2 52 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,0,0,0,1|1,0,0]=2 53 B5R0.1 CC(=O)CC#N BB54-5411 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CC(N)CCO BB57-1076 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CS(=O)CCN BB55-5915 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.2 O=CNNC=O BB12-1708 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.3 C=CCNC(=O)CCl BB17-2019 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 CNC(=O)CCCN BB55-7167 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.3 COCC\C(N)=N\O BB12-3470 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.3 NNC(=O)CCCO BB55-4806 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.4 CC(=O)NCCCN BB32-2735 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.4 CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|0,0,1]=3 73 B7R0.4 CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,0,1]=3 75 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|0,0,1]=3 77 B7R0.4 NC(=O)CSCCO BB53-1357 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.4 O=C(O)CNCCO BB58-1263 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.5 CC(=O)N(C)CCO BB55-7164 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.8 CNCCS(=O)(=O)O BB57-6681 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.8 CS(=O)(=O)CCCO BB57-2922 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,1,0|1,0,1]=4 86 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,1,0|1,0,0]=3 87 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,1,0|2,0,0]=4 88 B9R0.1 COC(=O)CCC[N+](=O)[O-] BB54-1368 [0,1,0,0,0,1|1,0,1]=4 89 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,0,0,0,1|1,0,0]=3 90 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,1,0,0,0,1|1,0,1]=4 91 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,1|2,0,0]=4 92 B9R0.7 N=C(N)NCC(N)C(=O)O BB57-4807 [0,1,0,0,0,1|2,0,0]=4 93 B9R0.53 CC(=O)NC(C)CC(=O)O BB57-3774 [0,1,0,0,0,1|0,0,0]=2 94 B9R0.56 CC(C)(C)SCCC(=O)O BB54-4513 [0,1,0,0,0,1|1,0,1]=4 95 B9R0.56 CS(=O)(=O)NCCC(=O)O BB55-6915 [0,1,0,0,0,1|1,0,0]=3 96 B9R0.23 COC(=O)C(C)CN(C)C BB12-3648 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.23 COC(=O)C(C)NC(N)=O BB01-7618 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.23 O=C(O)CC(Br)C(=O)CBr BB54-5215 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.24 COC(=O)CCC(=O)CBr BB58-1129 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.24 NNC(=O)CCC(=O)NN BB12-2604 [0,2,0,0,0,0|2,0,0]=4 101 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.48 CCOC(=O)CNC(N)=O BB01-7596 [0,2,0,0,0,0|2,0,0]=4 103 B9R0.48 CCOC(=S)SCC(=O)O BB57-7098 [0,2,0,0,0,0|1,1,0]=4 104 B9R0.64 CCS(=O)(=O)CCC(=O)O BB12-3368 [0,2,0,0,0,0|1,0,0]=3 105 B9R0.10 CC(CC(=O)O)C(C)(C)N BB57-2162 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.11 CC(=O)NC(C)(C)C(=O)O BB57-1682 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.39 CC(=O)NC(C#N)C(N)=O BB55-6845 [0,2,0,0,0,0|2,0,0]=4 108 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.57 NC(CS(=O)(=O)O)C(=O)O BB55-7479 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [1,0,0,1,0,0|0,0,1]=3 112 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,1,0,0|0,0,0]=2 114 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|0,0,2]=4 118 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,1,0,1|1,0,0]=3 120 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,1|1,0,0]=3 122 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,1,0,1|2,0,0]=4 124 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,0,0,1,0,1|0,0,0]=2 126 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,1,0,1|0,0,0]=2 127 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,0,1,0,1|1,0,1]=4 128 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] BB58-3088 [0,0,0,1,0,1|2,0,0]=4 129 B9R1.10 O=C1CCS(=O)(=O)CC1 BB11-0195 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,1,0,1,0,0|0,0,2]=4 132 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,0,0,0,0,2|1,0,0]=3 133 B9R0.55 CC(=O)NCCNC(C)=O BB20-3038 [0,0,0,0,0,2|1,0,0]=3 134 B9R0.55 O=C(O)CNNCC(=O)O BB58-2136 [0,0,0,0,0,2|1,0,0]=3