0 B7R0.6 CC(=O)CC[N+](=O)[O-] 2788AL [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C=CCOC(N)=O 0515AQ [1,0,0,0,0,0|2,0,1]=4 2 B6R0.4 CC(C)=CCCO 1893AC [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 CCCC[Sn](=O)O 8518AL [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 C\C=C\CC(=O)O 6149AL [1,0,0,0,0,0|0,0,1]=2 5 B8R0.9 C=C[C@@H](N)CCC(=O)O 1305AL [0,1,0,0,0,0|1,0,2]=4 6 B8R0.9 CC(=O)NCC(O)CCl 5114AB [0,1,0,0,0,0|2,0,1]=4 7 B8R0.9 CC(=O)NC[C@H](O)CCl 1336AB [0,1,0,0,0,0|2,0,1]=4 8 B8R0.9 CC(=O)NNC(=O)CCl 2532AE [0,1,0,0,0,0|3,0,0]=4 9 B8R0.9 COC(=O)CCN(C)C 4989AB [0,1,0,0,0,0|2,0,0]=3 10 B8R0.9 NNC(=O)CCC(N)=O 3602AD [0,1,0,0,0,0|2,0,0]=3 11 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [0,1,0,0,0,0|0,0,0]=1 12 B8R0.23 CC(CC(=O)O)N(C)C 9307AE [0,1,0,0,0,0|2,0,0]=3 13 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,1,0,0,0,0|1,0,0]=2 15 B8R1.3 CC1COC(=O)OC1 3991AC [0,0,0,1,0,0|2,0,1]=4 16 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,0,1,0,0|2,0,1]=4 17 B8R1.3 O=C1COC(=O)CN1 3606AL [0,0,0,1,0,0|1,0,0]=2 18 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,1,0,0|1,0,1]=3 19 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,1,0,0|1,0,1]=3 20 B8R1.51 CC1(O)CNC(=O)C1 7641AB [0,0,0,1,0,0|2,0,1]=4 21 B8R1.77 O=C(O)C1CC1(F)Cl 2031AL [0,0,0,1,0,0|2,0,1]=4 22 B6R0.2 CC(=O)CN(C)C 4784AD [0,0,0,0,1,0|3,0,0]=4 23 B6R0.2 O=C(O)CC(F)F Z1905 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,0,0,0,0,1|1,0,0]=2 25 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,0,0,0,0,1|0,0,1]=2 26 B8R0.28 CC(=O)O[Pd]OC(C)=O 9229AB [0,0,0,0,0,1|3,0,0]=4 27 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,0,0,0,1|1,0,1]=3 28 B5R0.1 CC(C)=CC=O 8071AJ [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 CCNC(=O)Cl Y1298 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 C=CC\C=C/C 0307AQ [2,0,0,0,0,0|1,0,1]=4 32 B5R0.2 O=CNCCO 0539AQ [2,0,0,0,0,0|1,0,1]=4 33 B7R0.2 CC[C@@H](C)CC(=O)O 8695AA [1,1,0,0,0,0|0,0,1]=3 34 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,1,0,0,0,0|0,0,1]=3 35 B7R0.2 CNC(=O)CC(=O)O 3048AE [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 CNC(C)CC(=O)O 5359AD [1,1,0,0,0,0|1,0,0]=3 37 B7R0.2 NC[C@@H](N)CC(=O)O 6866AA [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 NC[C@H](N)CC(=O)O 6865AA [1,1,0,0,0,0|1,0,1]=4 39 B7R0.3 CCCCC(=O)CCl 6831AD [1,1,0,0,0,0|1,0,1]=4 40 B7R0.3 CNC(=O)CCCO 2742AL [1,1,0,0,0,0|0,0,1]=3 41 B7R0.4 C=C(C)CC\C=C\C 5695AL [1,1,0,0,0,0|2,0,0]=4 42 B7R0.4 CN(C)CCCC=O 5485AH [1,1,0,0,0,0|2,0,0]=4 43 B7R0.4 CN(C)CCNC=O 1239AC [1,1,0,0,0,0|2,0,0]=4 44 B7R0.4 NCCNCC(=O)O W4767 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.5 CC(CCN)C(=O)O 5853AB [1,1,0,0,0,0|1,0,1]=4 46 B7R0.5 CCCC(C)C(C)=O 2081AB [1,1,0,0,0,0|1,0,1]=4 47 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.5 CNC[C@H](N)C(=O)O Q370 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.5 CNC[C@H](N)C(=O)O X6422 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [1,1,0,0,0,0|1,0,0]=3 51 B7R0.5 NCCC(F)C(=O)O 0888AE [1,1,0,0,0,0|1,0,1]=4 52 B7R0.5 NCCC(N)C(=O)O 3213AB [1,1,0,0,0,0|1,0,1]=4 53 B7R0.16 CC(=O)C(F)C(C)=O 1795AC [0,1,0,0,1,0|1,0,0]=3 54 B7R0.16 CC(=O)C(N)C(=O)O 0001AC [0,1,0,0,1,0|0,0,0]=2 55 B9R0.1 O=C(O)CCNC(=O)CCl 3961AE [0,1,0,0,0,1|0,0,0]=2 56 B9R0.7 CC(CCC(=O)O)C(=O)O 5731AL [0,1,0,0,0,1|1,0,0]=3 57 B9R0.7 CC(O)NC[C@H](N)C(=O)O Q368 [0,1,0,0,0,1|0,0,2]=4 58 B9R0.7 NC(CCC(=O)O)C(=O)O 7909AA [0,1,0,0,0,1|1,0,0]=3 59 B9R0.53 CC(=O)NC(C)CC(=O)O 4009AD [0,1,0,0,0,1|0,0,0]=2 60 B9R0.23 COC(=O)C(C)CN(C)C 0550AA [0,2,0,0,0,0|2,0,0]=4 61 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,2,0,0,0,0|0,0,0]=2 62 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,2,0,0,0,0|1,0,0]=3 63 B9R0.42 C=CC(=O)NC(O)C(=O)O 0275AB [0,2,0,0,0,0|1,0,1]=4 64 B9R0.42 COC(=O)CC(N)C(C)C TMBA012 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.42 COC(=O)CC(O)C(=O)O W1885 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.42 COC(=O)C[C@@H](C)C(=O)O 2589AC [0,2,0,0,0,0|0,0,0]=2 67 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [0,2,0,0,0,0|0,0,0]=2 68 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 5356AA [0,2,0,0,0,0|1,0,1]=4 70 B9R0.39 CC(C)C[C@H](CN)C(=O)O 5990AA [0,2,0,0,0,0|1,0,1]=4 71 B9R0.39 CN[C@H](CC(C)C)C(=O)O 0550AP [0,2,0,0,0,0|1,0,1]=4 72 B9R0.39 CN[C@H](CC(N)=O)C(=O)O 0546AP [0,2,0,0,0,0|1,0,0]=3 73 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q391 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O X7354 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O 9056AB [0,2,0,0,0,0|1,0,0]=3 77 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 4660AB [0,2,0,0,0,0|1,0,0]=3 78 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O 7183AF [0,2,0,0,0,0|1,0,0]=3 79 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,1,0,0|1,0,1]=4 80 B7R1.2 O=C1CCC(F)C1 3909AA [1,0,0,1,0,0|1,0,1]=4 81 B7R1.3 O=C1CNCCO1 W6328 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.7 O=CCCC1CC1 8213AB [1,0,0,1,0,0|1,0,1]=4 83 B7R1.10 O=C1CC(CCl)C1 2253AL [1,0,0,1,0,0|1,0,1]=4 84 B7R1.12 CC1CC1C(N)=O 0078AF [1,0,0,1,0,0|1,0,1]=4 85 B7R1.18 O=C(O)C1CSC1 1921AC [1,0,0,1,0,0|1,0,0]=3 86 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [0,0,0,1,0,1|1,0,0]=3 87 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,0,0,1,0,1|2,0,0]=4 88 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,1,0,1|2,0,0]=4 89 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,0,0,1,0,1|1,0,1]=4 90 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,0,0,1,0,1|1,0,1]=4 91 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,0,0,1,0,1|1,0,1]=4 92 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,0,0,1,0,1|1,0,1]=4 93 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,0,0,1,0,1|0,0,2]=4 94 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,0,0,1,0,1|0,0,2]=4 95 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,0,0,1,0,1|0,0,2]=4 96 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,0,0,1,0,1|0,0,2]=4 97 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Z5993 [0,0,0,1,0,1|1,0,1]=4 98 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,0,0,1,0,1|1,0,1]=4 99 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,1,0,1|0,0,0]=2 100 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,0,0,1,0,1|1,0,0]=3 101 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [0,0,0,1,0,1|1,0,0]=3 102 B9R1.82 COC(=O)C1CC(N)C1 3593AA [0,1,0,1,0,0|1,0,1]=4 103 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,1,0,1,0,0|1,0,1]=4 104 B9R1.95 CCC1CC(C(=O)O)C1 2418AL [0,1,0,1,0,0|1,0,1]=4 105 B9R1.95 O=C(O)C1CC(CO)C1 0418AA [0,1,0,1,0,0|0,0,2]=4 106 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 1269AB [0,1,0,1,0,0|1,0,1]=4 107 B9R1.164 O=C(O)C1CS(=O)(=O)C1 X3407 [0,1,0,1,0,0|1,0,0]=3 108 B5R0.5 CC(O)C(=O)O Y1768 [0,0,0,0,2,0|0,0,2]=4 109 B5R0.5 O=C(O)C(=O)O 7152AB [0,0,0,0,2,0|1,0,0]=3