0 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 NCCNCC(=O)O W4767 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 CC(CCN)C(=O)O 5853AB [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCCC(C)C(C)=O 2081AB [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.5 CNC[C@H](N)C(=O)O Q370 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.5 CNC[C@H](N)C(=O)O X6422 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [1,0,0,0,0,0|0,1,0]=2 10 B7R0.5 NCCC(F)C(=O)O 0888AE [1,0,0,0,0,0|2,0,0]=3 11 B7R0.5 NCCC(N)C(=O)O 3213AB [1,0,0,0,0,0|1,0,0]=2 12 B9R0.7 CC(CCC(=O)O)C(=O)O 5731AL [0,1,0,0,0,0|3,0,0]=4 13 B9R0.7 CC(O)NC[C@H](N)C(=O)O Q368 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.7 NC(CCC(=O)O)C(=O)O 7909AA [0,1,0,0,0,0|2,0,0]=3 15 B9R0.13 CCCCC(CO)C(C)=O 0020AC [0,1,0,0,0,0|3,0,0]=4 16 B9R0.13 CCCC[C@@H](CO)C(=O)O 9137AH [0,1,0,0,0,0|2,0,0]=3 17 B9R0.42 COC(=O)CC(O)C(=O)O W1885 [0,1,0,0,0,0|1,1,1]=4 18 B9R0.42 COC(=O)C[C@@H](C)C(=O)O 2589AC [0,1,0,0,0,0|1,1,1]=4 19 B9R0.47 C#CCCC[C@@H](N)C(=O)O 0447AP [0,1,0,0,0,0|1,0,1]=3 20 B9R0.47 C#CCCC[C@H](N)C(=O)O 0446AP [0,1,0,0,0,0|1,0,1]=3 21 B9R0.47 NC(CCCCO)C(=O)O 3217AB [0,1,0,0,0,0|1,0,0]=2 22 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [0,1,0,0,0,0|1,0,0]=2 23 B9R0.47 N[C@@H](CSCCO)C(=O)O Q367 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.47 O=C(O)C(Br)CCCCBr 5812AA [0,1,0,0,0,0|2,0,0]=3 25 B9R0.51 C=CCC[C@](C)(N)C(=O)O 0606AP [0,1,0,0,0,0|1,0,1]=3 26 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,0,0,1,0,0|2,0,1]=4 27 B9R1.5 N[C@H]1CSCCNC1=O 3471AF [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 NC(=O)C1COCCN1 4350AJ [0,0,0,1,0,0|3,0,0]=4 29 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,0,0,1,0,0|3,0,0]=4 30 B9R1.6 NC(=O)[C@@H]1CNCCN1 8024AA [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 NC(=O)[C@H]1CNCCN1 6695AA [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 O=C(O)C1=CCNCC1 7359AE [0,0,0,1,0,0|2,0,1]=4 33 B9R1.6 O=C(O)C1CNCCS1 3882AD [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,0,0,1,0,0|2,0,1]=4 37 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,0,0,1,0,0|3,0,0]=4 44 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,0,0,1,0,0|3,0,0]=4 45 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,0,0,1,0,0|3,0,0]=4 46 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,0,0,1,0,0|3,0,0]=4 47 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,0,0,1,0,0|3,0,0]=4 48 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O W3466 [0,0,0,1,0,0|1,0,1]=3 49 B9R1.95 CCC1CC(C(=O)O)C1 2418AL [0,0,0,1,0,0|2,0,0]=3 50 B9R1.95 O=C(O)C1CC(CO)C1 0418AA [0,0,0,1,0,0|3,0,0]=4 51 B9R1.110 O=C(O)C(=O)C1CCC1 W3036 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.163 CC(=O)C1(O)CCCC1 8824AA [0,0,0,1,0,0|3,0,0]=4 53 B9R1.163 CC1(C(=O)O)CCNC1 2340AJ [0,0,0,1,0,0|2,0,0]=3 54 B9R1.163 N1CC[C@](C(=O)O)(N)C1 Z2135 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.163 N[C@@]1(C(=O)O)CCOC1 1301AL [0,0,0,1,0,0|0,1,0]=2 56 B9R0.4 CCCCC(C)CC(=O)O 7656AB [0,0,0,0,0,1|2,0,0]=3 57 B6R0.4 CCCC[Sn](=O)O 8518AL [2,0,0,0,0,0|1,0,0]=3 58 B6R0.4 C\C=C\CC(=O)O 6149AL [2,0,0,0,0,0|0,0,2]=4 59 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|0,1,0]=3 60 B6R0.3 C=C[C@@H](N)C(=O)O 7467AB [2,0,0,0,0,0|0,0,2]=4 61 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [2,0,0,0,0,0|1,1,0]=4 62 B6R0.3 C[C@H](CN)C(=O)O 0884AB [2,0,0,0,0,0|2,0,0]=4 63 B6R0.3 C[C@H](CO)C(=O)O 9932AA [2,0,0,0,0,0|1,1,0]=4 64 B6R0.3 NC(CF)C(=O)O 8475AA [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 NCC(F)C(=O)O X2955 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [2,0,0,0,0,0|0,1,0]=3 67 B6R0.3 O=C(O)C(Br)CF 0454AQ [2,0,0,0,0,0|2,0,0]=4 68 B8R0.1 CCCC[C@H](N)CCO 2562AA [1,1,0,0,0,0|1,0,1]=4 69 B8R0.7 CCCCC#CC(=O)O 5639AL [1,1,0,0,0,0|1,0,1]=4 70 B8R0.7 [N-]=[N+]=NCCCC(=O)O 5328AE [1,1,0,0,0,0|2,0,0]=4 71 B8R0.2 CCC(C)C(Br)C(=O)O 5920AB [1,1,0,0,0,0|1,0,0]=3 72 B8R0.2 CCC(O)C(N)C(=O)O 4049AB [1,1,0,0,0,0|0,0,0]=2 73 B8R0.12 C#CC[C@](C)(N)C(=O)O 4438AA [1,1,0,0,0,0|0,0,2]=4 74 B8R0.12 C=CC[C@](C)(N)C(=O)O Y6734 [1,1,0,0,0,0|0,0,2]=4 75 B8R0.12 CC(C)(CCN)C(=O)O 6655AA [1,1,0,0,0,0|2,0,0]=4 76 B8R0.12 CCCC(C)(C)C(=O)O 3043AA [1,1,0,0,0,0|1,0,0]=3 77 B8R0.12 CNCC(F)(F)C(=O)O 5321AJ [1,1,0,0,0,0|2,0,0]=4 78 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [1,1,0,0,0,0|0,0,1]=3 79 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.43 CC(N)(CCC(=O)O)C(=O)O 6625AH [0,2,0,0,0,0|2,0,0]=4 81 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.84 CN[C@@H](CCC(N)=O)C(=O)O 0557AP [0,2,0,0,0,0|2,0,0]=4 83 B10R0.84 CN[C@H](CCC(N)=O)C(=O)O 0547AP [0,2,0,0,0,0|2,0,0]=4 84 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 8046AA [0,2,0,0,0,0|0,0,1]=3 85 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 8905AD [0,2,0,0,0,0|2,0,0]=4 86 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O 7033AH [0,2,0,0,0,0|2,0,0]=4 87 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O 5073AB [0,2,0,0,0,0|2,0,0]=4 88 B10R0.19 CCOC(=O)[C@@H](N)CCCN 6084AC [0,2,0,0,0,0|2,0,0]=4 89 B10R0.124 CCCCC(F)(F)C(=O)OC 7040AB [0,2,0,0,0,0|2,0,0]=4 90 B10R0.42 C=CCCC[C@](C)(N)C(=O)O 0609AP [0,2,0,0,0,0|1,0,1]=4 91 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 3499AB [0,2,0,0,0,0|1,0,0]=3 92 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O 7383AA [0,2,0,0,0,0|1,0,1]=4 93 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 6731AB [0,2,0,0,0,0|2,0,0]=4 94 B8R1.2 O=CC1CCNCC1 Y9263 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.5 NC1CCCCC1=O Y8332 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [1,0,0,1,0,0|1,0,1]=4 97 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [1,0,0,1,0,0|1,0,1]=4 98 B8R1.5 O=C1CCCCC1F Z5041 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.50 NC1CCN(O)C1=O 0156AA [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|2,0,0]=4 101 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,1,0,0|1,0,0]=3 102 B8R1.34 O=C(O)CN1CCC1 1240AJ [1,0,0,1,0,0|2,0,0]=4 103 B8R1.34 O=C(O)CN1CCC1 9681AH [1,0,0,1,0,0|2,0,0]=4 104 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [1,0,0,1,0,0|1,0,0]=3 105 B8R1.23 CC1CC(C(=O)O)C1 3997AC [1,0,0,1,0,0|1,0,0]=3 106 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [1,0,0,1,0,0|1,0,0]=3 107 B8R1.78 NC1(C(=O)O)CNC1 6694AA [1,0,0,1,0,0|1,0,0]=3 108 B8R1.78 NC1(C(=O)O)CSC1 4085AD [1,0,0,1,0,0|0,0,0]=2 109 B10R1.18 O=C(O)CC1CNCCN1 7202AA [0,0,0,1,0,1|2,0,0]=4 110 B10R1.18 O=C(O)CC1COCCN1 3483AC [0,0,0,1,0,1|2,0,0]=4 111 B10R1.18 O=C(O)C[C@@H]1COCCN1 4871AA [0,0,0,1,0,1|2,0,0]=4 112 B10R1.18 O=C(O)C[C@H]1COCCN1 4891AA [0,0,0,1,0,1|2,0,0]=4 113 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,0,0,1,0,1|2,0,0]=4 114 B10R1.61 CC1CCCCC1C(=O)O 2112AL [0,0,0,1,0,1|2,0,0]=4 115 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 9529AC [0,0,0,1,0,1|2,0,0]=4 116 B10R1.61 [C@@H]1(N)CCCC[C@H]1C(=O)O 0075AP [0,0,0,1,0,1|1,0,0]=3 117 B10R1.23 CC(C(=O)O)N1CCCC1 8686AC [0,1,0,1,0,0|2,0,0]=4 118 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 4842AJ [0,1,0,1,0,0|2,0,0]=4 119 B10R1.23 NC(C(=O)O)C1CCOC1 2767AA [0,1,0,1,0,0|0,1,0]=3 120 B10R1.13 CC1CCC(C(=O)O)CN1 3607AJ [0,1,0,1,0,0|1,0,0]=3 121 B10R1.13 CC1CCC(C(N)=O)CN1 2603AF [0,1,0,1,0,0|2,0,0]=4 122 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,1,0,1,0,0|1,0,0]=3 123 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,1,0,1,0,0|1,0,0]=3 124 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,1,0,1,0,0|1,0,0]=3 125 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [0,1,0,1,0,0|2,0,0]=4 126 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,1,0,0|1,0,0]=3 127 B10R1.15 COC(=O)[C@@H]1CNCCN1 Z3220 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.159 C=CC1CC1(N)C(=O)OC 1212AQ [0,1,0,1,0,0|1,0,1]=4 129 B10R1.182 COC(=O)[C@@H](N)C1CCC1 4095AA [0,1,0,1,0,0|1,0,0]=3 130 B10R1.182 COC(=O)[C@H](N)C1CCC1 4748AA [0,1,0,1,0,0|1,0,0]=3 131 B10R1.411 COC(=O)C1(C)CCCC1 4021AE [0,1,0,1,0,0|2,0,0]=4 132 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,1,0,1,0,0|2,0,0]=4 133 B10R1.477 CNC1(C(=O)O)CCOC1 W6642 [0,1,0,1,0,0|0,1,0]=3 134 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,1,0,1,0,0|2,0,0]=4 135 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [0,1,0,1,0,0|2,0,0]=4 136 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|2,0,0]=4 137 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,1,0,1,0,0|1,0,0]=3 138 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,1,0,1,0,0|1,0,0]=3 139 B10R1.204 NC(CC1CCC1)C(=O)O 6096AB [0,1,0,1,0,0|1,0,0]=3 140 B10R1.363 CC1(C(=O)O)CCCCO1 2984AE [0,1,0,1,0,0|2,0,0]=4 141 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 2973AH [0,1,0,1,0,0|1,0,0]=3 142 B10R1.363 C[C@]1(C(=O)O)CCCCN1 2920AH [0,1,0,1,0,0|1,0,0]=3 143 B10R1.363 NC1(C(=O)O)CCCOC1 2260AA [0,1,0,1,0,0|0,1,0]=3 144 B10R1.356 CC(C)(CC1CC1)C(=O)O 5823AA [0,1,0,1,0,0|2,0,0]=4 145 B10R2.355 O=C(O)C1NCC2CC21 2663AB [0,0,0,2,0,0|1,0,0]=3 146 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 3870AB [0,0,0,2,0,0|1,0,0]=3 147 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 X5561 [0,0,0,2,0,0|2,0,0]=4 148 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z1752 [0,0,0,2,0,0|2,0,0]=4