0 B9R1.35 CC(=O)N1CCC(N)C1 Z2206 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 N=C(N)N1CCC(O)C1 1274AA [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 2452AC [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Z5993 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,0,0,0|0,0,2]=2 16 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 NC(=O)N1CCCC1 4081AE [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,1,0,0,0,0|1,0,2]=4 21 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [0,1,0,0,0,0|1,0,0]=2 22 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 9014AH [0,1,0,0,0,0|1,0,0]=2 23 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 5841AA [0,1,0,0,0,0|2,0,0]=3 24 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 4220AH [0,1,0,0,0,0|1,0,0]=2 25 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [0,1,0,0,0,0|3,0,0]=4 26 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,0,1,0,0,0|2,0,0]=3 27 B8R0.9 C=C[C@@H](N)CCC(=O)O 1305AL [0,0,1,0,0,0|2,0,1]=4 28 B8R0.9 CC(=O)NCC(C)CN 8476AL [0,0,1,0,0,0|3,0,0]=4 29 B8R0.9 CC(=O)NCC(O)CCl 5114AB [0,0,1,0,0,0|3,0,0]=4 30 B8R0.9 CC(=O)NC[C@H](O)CCl 1336AB [0,0,1,0,0,0|3,0,0]=4 31 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [0,0,1,0,0,0|0,0,2]=3 32 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,0,1,0,0,0|1,0,2]=4 34 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,0,1,0,0,0|1,0,2]=4 35 B10R2.348 O=C(O)C12CC(CN1)C2 X7953 [0,0,0,1,0,0|1,0,0]=2 36 B10R2.355 O=C(O)C1NCC2CC21 2663AB [0,0,0,1,0,0|1,0,0]=2 37 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 3870AB [0,0,0,1,0,0|1,0,0]=2 38 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 X5561 [0,0,0,1,0,0|2,0,0]=3 39 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z1752 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,0,1,0|1,0,0]=2 41 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,0,1,0|1,0,0]=2 42 B8R1.31 CC1CCC1C(=O)O 5817AB [0,0,0,0,1,0|2,0,0]=3 43 B10R1.13 CC1CCC(C(=O)O)CN1 3607AJ [0,0,0,0,0,1|2,0,0]=3 44 B10R1.13 CC1CCC(C(N)=O)CN1 2603AF [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,0,0,0,0,1|0,0,0]=1 46 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,0,0,0,0,1|0,0,2]=3 47 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,0,0,0,1|0,0,2]=3 48 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,0,0,0,0,1|3,0,0]=4 49 B10R1.54 N[C@@H]1CCN(CC(=O)O)C1 8924AH [0,0,0,0,0,1|3,0,0]=4 50 B10R1.54 N[C@H]1CCN(CC(=O)O)C1 9075AH [0,0,0,0,0,1|3,0,0]=4 51 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,0,0,0,0,1|1,0,0]=2 52 B10R1.54 O=C(O)CN1CCC(O)C1 3125AA [0,0,0,0,0,1|2,0,0]=3 53 B10R1.54 O=C(O)CN1CC[C@H](O)C1 Z2136 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.113 CC(C)C1CC(O)CCN1 1752AJ [0,0,0,0,0,1|2,0,1]=4 55 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,0,0,0,0,1|2,0,0]=3 56 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [0,0,0,0,0,1|2,0,0]=3 57 B10R1.113 NC(=O)[C@@H]1CCC[C@@H](N)C1 3253AF [0,0,0,0,0,1|3,0,0]=4 58 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,0,0,0,0,1|2,0,0]=3 59 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,0,0,0,0,1|0,0,0]=1 60 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,0,0,0,0,1|0,0,0]=1 61 B7R0.3 C=CCCC(O)CCl 0700AA [1,0,1,0,0,0|2,0,0]=4 62 B7R0.4 CC(O)CCCCO 7560AF [1,0,1,0,0,0|1,0,1]=4 63 B7R0.4 NCCNCC(=O)O W4767 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.5 CC(CCN)C(=O)O 5853AB [1,0,1,0,0,0|1,0,0]=3 65 B7R0.5 CCCC(C)C(C)=O 2081AB [1,0,1,0,0,0|2,0,0]=4 66 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.5 CNC[C@H](N)C(=O)O Q370 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.5 CNC[C@H](N)C(=O)O X6422 [1,0,1,0,0,0|1,0,0]=3 69 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [1,0,1,0,0,0|1,0,0]=3 70 B7R0.5 NCCC(F)C(=O)O 0888AE [1,0,1,0,0,0|2,0,0]=4 71 B7R0.5 NCCC(N)C(=O)O 3213AB [1,0,1,0,0,0|1,0,0]=3 72 B7R0.15 CCC(NC)C(N)=O 1348AD [1,0,1,0,0,0|1,0,0]=3 73 B7R0.15 CNC(CS)C(=O)O 4317AD [1,0,1,0,0,0|0,1,0]=3 74 B7R0.15 NC[C@@H](CO)C(=O)O 5747AC [1,0,1,0,0,0|2,0,0]=4 75 B7R0.15 NC[C@H](CO)C(=O)O 4046AA [1,0,1,0,0,0|2,0,0]=4 76 B7R1.1 BrCC1CCCN1 X4014 [2,0,0,0,0,0|1,0,1]=4 77 B7R1.1 C#C[C@@H]1CCCN1 1083AL [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 ClCC1CCCN1 1675AJ [2,0,0,0,0,0|1,0,1]=4 79 B7R1.1 ClC[C@H]1CCCN1 8958AH [2,0,0,0,0,0|1,0,1]=4 80 B7R1.1 FC[C@@H]1CCCN1 1290AF [2,0,0,0,0,0|1,0,1]=4 81 B7R1.1 FC[C@@H]1CCCN1 2327AC [2,0,0,0,0,0|1,0,1]=4 82 B7R1.1 N#CC1CCCN1 3470AA [2,0,0,0,0,0|1,0,1]=4 83 B7R1.1 N#C[C@H]1CCCN1 0400AC [2,0,0,0,0,0|1,0,1]=4 84 B7R1.2 CC1CNC(=O)C1 X7991 [2,0,0,0,0,0|1,0,1]=4 85 B7R1.2 C[C@@H]1C[C@@H](O)CN1 0634AC [2,0,0,0,0,0|0,0,1]=3 86 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [2,0,0,0,0,0|0,0,1]=3 87 B7R1.2 NC1CCC(O)C1 6561AA [2,0,0,0,0,0|2,0,0]=4 88 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [2,0,0,0,0,0|2,0,0]=4 89 B7R1.2 N[C@@H]1CNC(=O)C1 9184AH [2,0,0,0,0,0|1,0,1]=4 90 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 N[C@H]1CNC(=O)C1 9015AH [2,0,0,0,0,0|1,0,1]=4 92 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [2,0,0,0,0,0|0,1,1]=4 93 B9R0.7 CC(CCC(=O)O)C(=O)O 5731AL [0,1,1,0,0,0|1,0,1]=4 94 B9R0.13 CCCC[C@@H](CO)C(=O)O 9137AH [0,1,1,0,0,0|2,0,0]=4 95 B9R0.47 NC(CCCCO)C(=O)O 3217AB [0,1,1,0,0,0|2,0,0]=4 96 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [0,1,1,0,0,0|2,0,0]=4 97 B9R0.47 N[C@@H](CSCCO)C(=O)O Q367 [0,1,1,0,0,0|2,0,0]=4 98 B9R0.39 CN[C@H](CC(C)C)C(=O)O 0550AP [0,1,1,0,0,0|1,0,0]=3 99 B9R0.39 CN[C@H](CC(N)=O)C(=O)O 0546AP [0,1,1,0,0,0|0,0,2]=4 100 B9R0.74 CCCC(C)(CC)C(=O)O 2073AL [0,1,1,0,0,0|2,0,0]=4 101 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q391 [0,1,1,0,0,0|1,0,0]=3 102 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [0,1,1,0,0,0|1,0,0]=3 103 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O 9056AB [0,1,1,0,0,0|1,0,1]=4 104 B9R1.11 COC(=O)C1CSCN1 6568AE [1,1,0,0,0,0|1,0,0]=3 105 B9R1.11 NOC(=O)C1CCOC1 Y5069 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O 5662AB [1,1,0,0,0,0|1,0,0]=3 107 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [1,1,0,0,0,0|1,0,0]=3 108 B9R1.163 CC(=O)C1(O)CCCC1 8824AA [1,1,0,0,0,0|2,0,0]=4 109 B9R1.163 CC1(C(=O)O)CCNC1 2340AJ [1,1,0,0,0,0|2,0,0]=4 110 B9R1.163 C[C@@]1(C(N)=O)CCCN1 4841AJ [1,1,0,0,0,0|1,0,0]=3 111 B9R1.163 N1CC[C@](C(=O)O)(N)C1 Z2135 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.163 N[C@@]1(C(=O)O)CCOC1 1301AL [1,1,0,0,0,0|2,0,0]=4 113 B9R1.82 COC(=O)C1CC(N)C1 3593AA [0,1,0,0,1,0|1,0,0]=3 114 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,1,0,0,1,0|1,0,0]=3 115 B9R1.95 CCC1CC(C(=O)O)C1 2418AL [0,1,0,0,1,0|1,0,0]=3 116 B9R1.95 O=C(O)C1CC(CO)C1 0418AA [0,1,0,0,1,0|0,0,0]=2 117 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 1269AB [0,1,0,0,1,0|1,0,0]=3 118 B9R1.164 O=C(O)C1CS(=O)(=O)C1 X3407 [0,1,0,0,1,0|1,0,1]=4 119 B9R1.81 COC(=O)[C@H]1CC[C@H]1N 4769AE [0,1,0,0,1,0|2,0,0]=4 120 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 7293AC [0,1,0,0,0,1|2,0,0]=4 121 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 3763AA [0,1,0,0,0,1|0,0,2]=4 122 B11R1.727 CC1(C)CN[C@@H](C(=O)O)CO1 9022AH [0,1,0,0,0,1|1,0,0]=3 123 B11R1.23 COC(=O)C1CC(=O)CCN1 2911AJ [0,1,0,0,0,1|0,0,2]=4 124 B11R1.23 COC(=O)C1CC(=O)CCN1 4287AJ [0,1,0,0,0,1|0,0,2]=4 125 B11R1.23 COC(=O)C1CC(O)CCN1 7156AA [0,1,0,0,0,1|0,0,0]=2 126 B11R1.23 COC(=O)C1CN(C)CCN1 4282AJ [0,1,0,0,0,1|2,0,0]=4 127 B11R1.23 COC(=O)[C@H]1CNC[C@H](C)C1 5496AB [0,1,0,0,0,1|1,0,0]=3 128 B11R1.23 COC(=O)[C@H]1C[C@@H](O)CCN1 5872AD [0,1,0,0,0,1|0,0,0]=2 129 B11R1.730 CC1(C)CC(C(=O)O)CCO1 7485AB [0,1,0,0,0,1|2,0,0]=4 130 B11R1.15 CCOC(=O)C1CCC(N)C1 2143AJ [0,2,0,0,0,0|2,0,0]=4 131 B11R1.15 CCOC(=O)C1CCC(O)C1 4067AJ [0,2,0,0,0,0|1,0,0]=3 132 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](N)C1 Y5947 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.44 COC(=O)[C@@H]1CC[C@H](CO)C1 6033AE [0,2,0,0,0,0|1,0,0]=3 134 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 1161AA [0,2,0,0,0,0|1,0,0]=3 135 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 5145AB [0,2,0,0,0,0|1,0,0]=3 136 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 4527AB [0,2,0,0,0,0|1,0,0]=3 137 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 2771AC [0,2,0,0,0,0|1,0,0]=3 138 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 1326AB [0,2,0,0,0,0|2,0,0]=4 139 B9R1.6 NC(=O)C1COCCN1 4350AJ [0,0,1,1,0,0|1,0,0]=3 140 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,0,1,1,0,0|1,1,0]=4 141 B9R1.6 NC(=O)[C@@H]1CNCCN1 8024AA [0,0,1,1,0,0|2,0,0]=4 142 B9R1.6 NC(=O)[C@H]1CNCCN1 6695AA [0,0,1,1,0,0|2,0,0]=4 143 B9R1.6 O=C(O)C1CNCCS1 3882AD [0,0,1,1,0,0|2,0,0]=4 144 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,1,1,0,0|0,1,0]=3 145 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,0,1,1,0,0|2,0,0]=4 146 B9R1.1 NCC1CCC(=O)CC1 5848AC [0,0,1,1,0,0|2,0,0]=4 147 B9R1.179 NCCC1(C(=O)O)CC1 Y7344 [0,0,1,1,0,0|2,0,0]=4 148 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 1811AA [1,0,0,1,0,0|1,0,1]=4 149 B11R2.1839 C12CCC(C(=O)O)(CC1)C2 9768AA [0,0,0,1,0,1|2,0,0]=4 150 B11R2.845 O=C(O)C1NC2CCC1C2 4076AC [0,0,0,1,0,1|2,0,0]=4 151 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O 6193AB [0,0,0,1,0,1|2,0,0]=4 152 B11R2.201 [C@H]12CC[C@H](C1)C(=O)OC2=O 9035AB [0,1,0,1,0,0|1,0,1]=4 153 B11R2.2454 O=C(O)C12CC(F)(CN1)C2 3398AA [0,1,0,1,0,0|1,0,0]=3 154 B7R0.16 CC(=O)C(N)C(=O)O 0001AC [0,0,1,0,1,0|0,0,2]=4 155 B7R1.10 NCC1CC(O)C1 8510AA [1,0,0,0,1,0|1,0,1]=4 156 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [1,0,0,0,1,0|1,0,1]=4 157 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [1,0,0,0,1,0|1,0,1]=4 158 B7R1.18 O=C(O)C1CSC1 1921AC [1,0,0,0,1,0|1,0,0]=3 159 B7R1.12 CC1CC1C(N)=O 0078AF [0,0,0,0,2,0|2,0,0]=4 160 B9R0.4 CCCCC(C)CC(=O)O 7656AB [0,0,1,0,0,1|2,0,0]=4 161 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 1879AC [0,0,0,0,0,2|2,0,0]=4 162 B11R1.20 O=C(O)CN1CCC(O)CC1 5404AD [0,0,0,0,0,2|2,0,0]=4