0 B10R1.194 CC1C(=O)OCC1C(=O)O 2883AJ [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [1,0,0,0,0,0|1,0,1]=3 5 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [1,0,0,0,0,0|1,0,1]=3 6 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [1,0,0,0,0,0|1,0,1]=3 7 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [1,0,0,0,0,0|1,0,1]=3 8 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [1,0,0,0,0,0|0,0,2]=3 9 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [1,0,0,0,0,0|0,0,2]=3 10 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [1,0,0,0,0,0|0,0,2]=3 11 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [1,0,0,0,0,0|0,0,2]=3 12 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Z5993 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [1,0,0,0,0,0|2,0,0]=3 16 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [1,0,0,0,0,0|1,0,1]=3 17 B9R1.132 CN1C(=O)CCC1CN X2997 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.1 O=C(O)CCNC(=O)CCl 3961AE [0,0,1,0,0,0|2,0,0]=3 19 B9R0.13 CCCC[C@@H](CO)C(=O)O 9137AH [0,0,1,0,0,0|2,0,1]=4 20 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,0,1,0,0,0|2,0,0]=3 21 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O X7354 [0,0,1,0,0,0|1,0,0]=2 22 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O 9056AB [0,0,1,0,0,0|2,0,0]=3 23 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 4660AB [0,0,1,0,0,0|3,0,0]=4 24 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O 7183AF [0,0,1,0,0,0|3,0,0]=4 25 B8R0.6 COC(=O)CCNC=O 4147AB [1,0,1,0,0,0|2,0,0]=4 26 B8R0.28 CC(=O)CNCC(C)=O W1126 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [1,0,1,0,0,0|0,0,2]=4 28 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [1,0,1,0,0,0|1,0,0]=3 29 B8R0.23 CC(CC(=O)O)N(C)C 9307AE [1,0,1,0,0,0|2,0,0]=4 30 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [1,0,1,0,0,0|2,0,0]=4 31 B8R0.2 CCC(C)C(Br)C(=O)O 5920AB [1,0,1,0,0,0|1,0,1]=4 32 B8R0.18 CC(C)[C@@H](CN)C(=O)O 5651AC [1,0,1,0,0,0|1,0,1]=4 33 B8R0.18 CC(C)[C@H](CN)C(=O)O 5355AA [1,0,1,0,0,0|1,0,1]=4 34 B8R0.18 CCC(C(C)=O)C(C)=O 4805AD [1,0,1,0,0,0|1,0,1]=4 35 B8R1.1 C=C[C@@H]1COC(=O)C1 4157AA [2,0,0,0,0,0|2,0,0]=4 36 B8R1.1 C=C[C@H]1COC(=O)C1 1309AL [2,0,0,0,0,0|2,0,0]=4 37 B8R1.1 O=C1CC[C@H](CO)O1 B249 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br 0017AD [2,0,0,0,0,0|2,0,0]=4 40 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,1,1,0,0,0|2,0,0]=4 41 B10R0.98 O=C(O)CCCC(=O)C(=O)O 0052AQ [0,1,1,0,0,0|1,0,1]=4 42 B10R0.84 CN[C@@H](CCC(N)=O)C(=O)O 0557AP [0,1,1,0,0,0|1,0,0]=3 43 B10R0.84 CN[C@H](CCC(N)=O)C(=O)O 0547AP [0,1,1,0,0,0|1,0,0]=3 44 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC P621 [0,1,1,0,0,0|1,0,0]=3 45 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.14 COC(=O)C1C=CC(=O)C1 8926AB [1,1,0,0,0,0|0,0,2]=4 47 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [1,1,0,0,0,0|0,0,0]=2 48 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [1,1,0,0,0,0|0,0,2]=4 49 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [1,1,0,0,0,0|2,0,0]=4 50 B10R1.128 CC1(C)CNCC1C(=O)O 2274AB [1,1,0,0,0,0|1,0,1]=4 51 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 8671AH [1,1,0,0,0,0|1,0,1]=4 52 B10R1.149 COC(=O)C1CCCC1N 4088AB [1,1,0,0,0,0|1,0,1]=4 53 B10R1.149 COC(=O)C1CNCC1C 1878AF [1,1,0,0,0,0|1,0,1]=4 54 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N W3364 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N 8741AA [1,1,0,0,0,0|1,0,1]=4 56 B10R1.83 CC1(C)C(N)CC1C(=O)O 9706AE [0,1,0,0,1,0|1,0,1]=4 57 B12R1.367 COC(=O)N1CCC(=O)C(C)C1 3438AB [0,1,0,0,0,1|1,0,0]=3 58 B12R1.511 CC1CC(C(=O)O)N(C)C(=S)N1 8718AC [0,1,0,0,0,1|1,1,0]=4 59 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,0,1,1,0,0|1,0,0]=3 60 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,1,1,0,0|1,0,0]=3 61 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,0,1,1,0,0|2,0,0]=4 62 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,0,1,1,0,0|0,0,2]=4 63 B10R1.54 O=C(O)CN1CCC(=O)C1 8658AH [0,0,1,1,0,0|1,0,0]=3 64 B10R1.54 O=C(O)CN1CCC(=O)C1 8659AH [0,0,1,1,0,0|1,0,0]=3 65 B10R1.25 CCN1CCC(=O)CC1=O 5123AJ [0,0,1,1,0,0|2,0,0]=4 66 B10R1.61 CC1CCCCC1C(=O)O 2112AL [0,0,1,1,0,0|1,0,1]=4 67 B10R1.61 CC1NCCCC1C(=O)O 1812AJ [0,0,1,1,0,0|1,0,1]=4 68 B10R1.64 CC1CCCC1CC(=O)O Y7155 [0,0,1,1,0,0|1,0,1]=4 69 B10R1.64 O=C(O)\C=C1/CCCC1=O 4938AC [0,0,1,1,0,0|0,0,2]=4 70 B12R2.130 O=C1CCC2CC1CCC2=O U875 [0,0,0,1,0,1|1,0,0]=3 71 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 9480AJ [0,0,0,1,0,1|0,0,0]=2 72 B8R1.23 CC1CC(C(=O)O)C1 3997AC [1,0,0,0,1,0|1,0,1]=4 73 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [1,0,0,0,1,0|1,0,1]=4 74 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,0,1,0|1,0,1]=4 75 B10R0.55 CCC(=O)CCCCC(=O)O 3107AE [0,0,1,0,0,1|0,0,0]=2 76 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [1,0,0,0,0,1|1,0,1]=4 77 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [1,0,0,0,0,1|2,0,0]=4 78 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [1,0,0,0,0,1|1,0,1]=4 79 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [1,0,0,0,0,1|0,0,2]=4 80 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [1,0,0,0,0,1|0,0,2]=4