0 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 O=C1N=C(C(=O)O)NN1 BB54-3676 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.35 O=C1NC=C(C(=O)O)N1 BB58-0110 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.1 CCC1COC(=O)N1 BB57-3665 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.14 COC(=O)C1=NNC(=O)N1 BB54-5045 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.14 COC(=O)C1CCN(C)C1 BB57-0753 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.14 COC(=O)C1CNC(=O)C1 BB57-2168 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.14 NNC(=O)C1CCC(=O)N1 BB17-2412 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.58 CN1CC(C(=O)Cl)CC1=O BB12-3015 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.58 CN1CC(C(=O)O)CC1=O BB20-4886 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.58 CN1CC(C(N)=O)CC1=O BB56-2316 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.359 CC1(C)CCC(C(=O)O)O1 BB58-4799 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.359 CC1(C)NC(C(=O)O)CS1 BB57-4281 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BB54-4344 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.470 CN1CCC(C)(C(=O)O)C1 BB58-0308 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,0,1,0,0,0|0,0,0]=1 36 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.23 C=C(NC(C)=O)C(=O)O BB01-7568 [0,0,1,0,0,0|0,0,2]=3 41 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,1,0,0,0|0,0,0]=1 44 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,1,0,0,0|1,0,0]=2 45 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,0,1,0|1,0,2]=4 46 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 NC(=O)C1=NNC(=O)CC1 BB10-0109 [0,0,0,0,0,1|1,0,1]=3 49 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,0,0,0,0,1|0,0,3]=4 50 B10R1.13 O=C1CCC(C(=O)O)CN1 BB58-1718 [0,0,0,0,0,1|0,0,0]=1 51 B10R1.54 CC1=NN(CC(=O)O)CC1 BB55-6512 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.54 O=C(O)CC1CCC(=O)N1 BB58-3082 [0,0,0,0,0,1|0,0,0]=1 53 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,0,0,0,0,1|1,0,1]=3 54 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 O=C1CSCC(C(=O)O)N1 BB01-5725 [0,0,0,0,0,1|0,0,0]=1 56 B7R0.3 C=CCNC(=O)CCl BB17-2019 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.3 CCC(=O)NCCN BB12-2323 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,1,0,0,0|0,0,1]=3 60 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.4 NC(=O)CSCCO BB53-1357 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.4 O=C(O)CNCCO BB58-1263 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,0,1,0,0,0|0,0,0]=2 66 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.15 CCC(CN)C(=O)O BB58-3841 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.15 CCC(NC)C(=O)O BB57-2477 [1,0,1,0,0,0|0,0,1]=3 71 B7R0.15 CCC(NC)C(N)=O BB57-1806 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.15 CCC(OC)C(=O)O BB57-2928 [1,0,1,0,0,0|1,0,1]=4 73 B7R1.2 CC1COC(=O)N1 BB57-2454 [2,0,0,0,0,0|1,0,1]=4 74 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [2,0,0,0,0,0|1,0,1]=4 76 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,1,0,0,0|1,0,1]=4 77 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.7 N=C(N)NCC(N)C(=O)O BB57-4807 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [0,1,1,0,0,0|1,0,1]=4 80 B9R0.23 O=C(O)CC(Br)C(=O)CBr BB54-5215 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.24 CCC(=O)NNC(=O)CCl BB12-2775 [0,1,1,0,0,0|2,0,0]=4 82 B9R0.24 COC(=O)CCC(=O)CBr BB58-1129 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.48 CCOC(=S)SCC(=O)O BB57-7098 [0,1,1,0,0,0|1,1,0]=4 84 B9R0.64 CCS(=O)(=O)CCC(=O)O BB12-3368 [0,1,1,0,0,0|2,0,0]=4 85 B9R0.11 CC(=O)NC(C)(C)C(=O)O BB57-1682 [0,1,1,0,0,0|0,0,0]=2 86 B9R0.1 COC(=O)CCC[N+](=O)[O-] BB54-1368 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.53 CC(=O)NC(C)CC(=O)O BB57-3774 [0,1,1,0,0,0|2,0,0]=4 88 B9R1.125 CC1(CO)COC(=O)N1 BB58-5091 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.11 COC(=O)[C@@H]1CSCN1 BB58-1738 [1,1,0,0,0,0|1,0,1]=4 92 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,1,0,0,0,0|0,0,1]=3 93 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.21 CN1CC(C(=O)O)CCC1=O BB05-3790 [0,1,0,0,0,1|0,0,0]=2 98 B11R1.21 CN1CC(C(=O)O)CCC1=O BB12-2173 [0,1,0,0,0,1|0,0,0]=2 99 B11R1.22 COC(=O)C1=NNC(=O)CC1 BB10-0105 [0,1,0,0,0,1|0,0,1]=3 100 B11R1.22 NNC(=O)C1=NNC(=O)CC1 BB10-0133 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.313 CN1C(=O)CCC1CC(=O)O BB54-4136 [0,1,0,0,0,1|0,0,0]=2 102 B11R1.23 COC(=O)C1CCNC(=O)C1 BB58-1372 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.23 COC(=O)C1CNNC(=O)C1 BB12-4090 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 BB58-4724 [0,1,0,0,0,1|1,0,1]=4 105 B11R1.226 COC(=O)C1CC(=O)N(C)C1 BB56-2262 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.865 COC(=O)C1CCC(=O)N1C BB12-1465 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.48 CCN1CC(C(=O)O)CC1=O BB05-4609 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [0,0,1,1,0,0|2,0,0]=4 109 B9R2.39 N1C(=O)[C@@H]2C=C[C@H]1C2 BB20-3333 [1,0,0,1,0,0|1,0,0]=3 110 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,0,1,0,1,0|1,0,0]=3 111 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,0,1,0,1,0|2,0,0]=4 112 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,0,1,0|1,0,1]=4 113 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,0,1,0|0,0,0]=2 114 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,0,1,0|1,0,0]=3 115 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,0,2,0|1,0,1]=4 116 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,0,1,0,0,1|2,0,0]=4 117 B9R0.55 O=C(O)CNNCC(=O)O BB58-2136 [0,0,1,0,0,1|2,0,0]=4 118 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,0,0,1|1,0,1]=4 119 B11R1.157 O=C(O)CN1CCOC(=O)C1 BB54-2729 [0,0,0,0,0,2|2,0,0]=4 120 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,0,0,0,0,2|0,0,0]=2