0 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(C)C1CCCC1 8114AL [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 C[C@H](N)C1CCCC1 8399AH [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 NC(=O)N1CCCC1 4081AE [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.7 OB(O)C1CCOC1 2213AB [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 BrCC1CCCN1 X4014 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.1 C#C[C@@H]1CCCN1 1083AL [1,0,0,0,0,0|1,0,1]=3 9 B7R1.1 CNC1CCCC1 W8261 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 ClCC1CCCN1 1675AJ [1,0,0,0,0,0|1,0,1]=3 11 B7R1.1 ClC[C@H]1CCCN1 8958AH [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 FC[C@@H]1CCCN1 1290AF [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 FC[C@@H]1CCCN1 2327AC [1,0,0,0,0,0|1,0,1]=3 14 B7R1.1 N#CC1CCCN1 3470AA [1,0,0,0,0,0|1,0,1]=3 15 B7R1.1 N#CC1CCCS1 2151AA [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 N#C[C@H]1CCCN1 0400AC [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 NNC1CCCC1 W7612 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 OC[C@@H]1CCOC1 4598AA [1,0,0,0,0,0|2,0,1]=4 19 B9R1.11 C#CC(O)C1CCCC1 Y5911 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.11 CCC(=O)C1=NCCC1 6081AA [0,1,0,0,0,0|1,0,2]=4 21 B9R1.11 COC(=O)C1CSCN1 6568AE [0,1,0,0,0,0|1,0,0]=2 22 B9R1.11 NOC(=O)C1CCOC1 Y5069 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 CC(=O)N1CCC(N)C1 Z2206 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,1,0,0,0,0|2,0,0]=3 26 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 2452AC [0,1,0,0,0,0|1,0,0]=2 28 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,1,0,0,0,0|1,0,0]=2 29 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,1,0,0,0,0|1,0,0]=2 30 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,1,0,0,0,0|1,0,0]=2 31 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,1,0,0,0,0|1,0,0]=2 32 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,1,0,0,0,0|1,0,0]=2 33 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,1,0,0,0,0|1,0,0]=2 34 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,1,0,0,0,0|1,0,0]=2 35 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,1,0,0,0,0|1,0,0]=2 36 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Z5993 [0,1,0,0,0,0|0,0,0]=1 37 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,1,0,0,0,0|0,0,0]=1 38 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,1,0,0,0,0|0,0,1]=2 39 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,1,0,0,0,0|1,0,1]=3 40 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O 5662AB [0,1,0,0,0,0|1,0,0]=2 41 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [0,1,0,0,0,0|1,0,0]=2 42 B9R1.163 CC(=O)C1(O)CCCC1 8824AA [0,1,0,0,0,0|2,0,0]=3 43 B9R1.163 CC1(C(=O)O)CCNC1 2340AJ [0,1,0,0,0,0|2,0,0]=3 44 B9R1.163 C[C@@]1(C(N)=O)CCCN1 4841AJ [0,1,0,0,0,0|1,0,0]=2 45 B9R1.163 N1CC[C@](C(=O)O)(N)C1 Z2135 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.163 N[C@@]1(C(=O)O)CCOC1 1301AL [0,1,0,0,0,0|2,0,0]=3 47 B7R0.4 CC(O)CCCCO 7560AF [0,0,1,0,0,0|2,0,1]=4 48 B7R0.4 NCCNCC(=O)O W4767 [0,0,1,0,0,0|1,0,0]=2 49 B7R0.5 CC(CCN)C(=O)O 5853AB [0,0,1,0,0,0|2,0,0]=3 50 B7R0.5 CCCC(C)C(C)=O 2081AB [0,0,1,0,0,0|2,0,0]=3 51 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [0,0,1,0,0,0|1,0,0]=2 52 B7R0.5 CNC[C@H](N)C(=O)O Q370 [0,0,1,0,0,0|1,0,0]=2 53 B7R0.5 CNC[C@H](N)C(=O)O X6422 [0,0,1,0,0,0|1,0,0]=2 54 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [0,0,1,0,0,0|1,0,0]=2 55 B7R0.5 NCCC(F)C(=O)O 0888AE [0,0,1,0,0,0|2,0,0]=3 56 B7R0.5 NCCC(N)C(=O)O 3213AB [0,0,1,0,0,0|1,0,0]=2 57 B7R0.15 CCC(CC)C(N)=S Y4882 [0,0,1,0,0,0|2,1,0]=4 58 B7R0.15 CCC(NC)C(N)=O 1348AD [0,0,1,0,0,0|1,0,0]=2 59 B7R0.15 CNC(CS)C(=O)O 4317AD [0,0,1,0,0,0|1,0,0]=2 60 B7R0.15 COC(OC)C(N)=O 0254AF [0,0,1,0,0,0|3,0,0]=4 61 B7R0.15 NC[C@@H](CO)C(=O)O 5747AC [0,0,1,0,0,0|3,0,0]=4 62 B7R0.15 NC[C@H](CO)C(=O)O 4046AA [0,0,1,0,0,0|3,0,0]=4 63 B9R2.2 C1CNC(C2CC2)C1 1686AJ [0,0,0,1,0,0|2,0,1]=4 64 B9R2.2 C1CNC(C2CC2)C1 1687AJ [0,0,0,1,0,0|2,0,1]=4 65 B9R2.39 O=C1CN2CCC1C2 4321AA [0,0,0,1,0,0|3,0,0]=4 66 B9R2.39 [C@@H]12CCN(CC1=O)C2 0921AB [0,0,0,1,0,0|3,0,0]=4 67 B9R2.39 [C@H]12C=C(C)[C@H](CC1)C2 2133AL [0,0,0,1,0,0|3,0,0]=4 68 B7R1.18 O=C(O)C1CSC1 1921AC [0,0,0,0,1,0|1,0,0]=2 69 B9R1.6 CC(=O)C1CNCCO1 9531AH [0,0,0,0,0,1|2,0,0]=3 70 B9R1.6 CC(=O)N1CCNCC1 Y1341 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.6 CC(C)[C@@H]1CNCCN1 4020AA [0,0,0,0,0,1|2,0,1]=4 72 B9R1.6 CC(C)[C@H]1CNCCN1 X9850 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.6 CN(C)[C@@H]1CCCNC1 Z2127 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.6 CN(C)[C@H]1CCCNC1 Z2163 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.6 FC(F)C1CCCNC1 Z7262 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.6 N=C(N)C1CCNCC1 4464AJ [0,0,0,0,0,1|3,0,0]=4 77 B9R1.6 NC(=O)C1COCCN1 4350AJ [0,0,0,0,0,1|1,0,0]=2 78 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,0,0,0,0,1|1,0,0]=2 79 B9R1.6 NC(=O)[C@@H]1CNCCN1 8024AA [0,0,0,0,0,1|1,0,0]=2 80 B9R1.6 NC(=O)[C@H]1CNCCN1 6695AA [0,0,0,0,0,1|1,0,0]=2 81 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [0,0,0,0,0,1|0,0,2]=3 82 B9R1.6 O=C(O)C1=CCNCC1 7359AE [0,0,0,0,0,1|1,0,1]=3 83 B9R1.6 O=C(O)C1CNCCS1 3882AD [0,0,0,0,0,1|1,0,0]=2 84 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,0,0,1|0,0,0]=1 85 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,0,0,0,0,1|1,0,0]=2 86 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,0,0,0,0,1|1,0,1]=3 87 B9R1.6 O=[N+]([O-])C1CCOCC1 3680AD [0,0,0,0,0,1|2,0,1]=4 88 B9R1.13 CC(=O)N[C@@H]1CCNC1 5907AA [0,0,0,0,0,1|3,0,0]=4 89 B9R1.13 CN(C)C[C@@H]1CCCN1 9550AC [0,0,0,0,0,1|3,0,0]=4 90 B6R0.4 CCCC[Sn](=O)O 8518AL [1,0,1,0,0,0|1,0,0]=3 91 B6R0.4 C\C=C\CC(=O)O 6149AL [1,0,1,0,0,0|0,0,2]=4 92 B6R0.6 COCCCC=O Y8222 [1,0,1,0,0,0|2,0,0]=4 93 B6R0.6 NNCCCCO 2732AL [1,0,1,0,0,0|1,0,1]=4 94 B6R0.1 CCNC(C)CO 8218AD [1,0,1,0,0,0|0,0,1]=3 95 B6R0.1 CCOC(C)CO 2072AL [1,0,1,0,0,0|1,0,1]=4 96 B6R0.3 C=C[C@@H](N)C(=O)O 7467AB [1,0,1,0,0,0|0,0,2]=4 97 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [1,0,1,0,0,0|2,0,0]=4 98 B6R0.3 C[C@H](CN)C(=O)O 0884AB [1,0,1,0,0,0|1,0,0]=3 99 B6R0.3 C[C@H](CO)C(=O)O 9932AA [1,0,1,0,0,0|1,0,0]=3 100 B6R0.3 NC(CF)C(=O)O 8475AA [1,0,1,0,0,0|1,0,0]=3 101 B6R0.3 NCC(F)C(=O)O X2955 [1,0,1,0,0,0|2,0,0]=4 102 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.3 O=C(O)C(Br)CF 0454AQ [1,0,1,0,0,0|2,0,0]=4 104 B6R1.2 OC1CCSC1 Y1949 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,1,1,0,0,0|1,0,0]=3 106 B8R0.7 CCCCC#CC(=O)O 5639AL [0,1,1,0,0,0|1,0,1]=4 107 B8R0.7 [N-]=[N+]=NCCCC(=O)O 5328AE [0,1,1,0,0,0|1,0,1]=4 108 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,1,1,0,0,0|1,0,1]=4 109 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,1,1,0,0,0|1,0,0]=3 110 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,1,1,0,0,0|2,0,0]=4 111 B8R0.9 C=C[C@@H](N)CCC(=O)O 1305AL [0,1,1,0,0,0|1,0,1]=4 112 B8R0.9 CC(=O)NCC(C)CN 8476AL [0,1,1,0,0,0|2,0,0]=4 113 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,1,1,0,0,0|1,0,1]=4 114 B8R0.2 CCC(C)C(Br)C(=O)O 5920AB [0,1,1,0,0,0|1,0,0]=3 115 B8R0.2 CCC(O)C(N)C(=O)O 4049AB [0,1,1,0,0,0|0,0,0]=2 116 B8R0.3 COC(=O)[C@@H](N)CCBr 3496AL [0,1,1,0,0,0|1,0,0]=3 117 B8R0.12 C#CC[C@](C)(N)C(=O)O 4438AA [0,1,1,0,0,0|0,0,2]=4 118 B8R0.12 C=CC[C@](C)(N)C(=O)O Y6734 [0,1,1,0,0,0|0,0,2]=4 119 B8R0.12 CC(C)(CCN)C(=O)O 6655AA [0,1,1,0,0,0|2,0,0]=4 120 B8R0.12 CCCC(C)(C)C(=O)O 3043AA [0,1,1,0,0,0|1,0,0]=3 121 B8R0.12 CNCC(F)(F)C(=O)O 5321AJ [0,1,1,0,0,0|2,0,0]=4 122 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [0,1,1,0,0,0|0,0,1]=3 123 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,1,1,0,0,0|1,0,0]=3 124 B8R0.18 CC(C)C(NN)C(=O)O 8952AB [0,1,1,0,0,0|1,0,0]=3 125 B8R0.18 CC(C)[C@@H](CN)C(=O)O 5651AC [0,1,1,0,0,0|2,0,0]=4 126 B8R0.18 CC(C)[C@H](CN)C(=O)O 5355AA [0,1,1,0,0,0|2,0,0]=4 127 B8R0.18 CCC(C(C)=O)C(C)=O 4805AD [0,1,1,0,0,0|2,0,0]=4 128 B8R1.8 O=CCC1OCCO1 5104AC [1,1,0,0,0,0|2,0,0]=4 129 B8R1.8 OCCC1CCCN1 1282AJ [1,1,0,0,0,0|0,0,1]=3 130 B8R1.8 OCCC1CCCN1 1283AJ [1,1,0,0,0,0|0,0,1]=3 131 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [1,1,0,0,0,0|1,0,1]=4 132 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,1,0,0,1,0|0,0,0]=2 133 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,1,0,0,1,0|0,0,0]=2 134 B8R1.31 CC1CCC1C(=O)O 5817AB [0,1,0,0,1,0|0,0,0]=2 135 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,0,1,0|1,0,0]=3 136 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,1,0,0,1,0|2,0,0]=4 137 B8R1.55 O=S(=O)(Cl)C1CCC1 3995AB [0,1,0,0,1,0|1,0,1]=4 138 B8R1.78 NC1(C(=O)O)CNC1 6694AA [0,1,0,0,1,0|1,0,0]=3 139 B8R1.78 NC1(C(=O)O)CSC1 4085AD [0,1,0,0,1,0|1,0,0]=3 140 B10R1.13 CC1CCC(C(=O)O)CN1 3607AJ [0,1,0,0,0,1|0,0,0]=2 141 B10R1.13 CC1CCC(C(N)=O)CN1 2603AF [0,1,0,0,0,1|1,0,0]=3 142 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,1,0,0,0,1|0,0,0]=2 143 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,1,0,0,0,1|0,0,0]=2 144 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,1,0,0,0,1|0,0,0]=2 145 B10R1.15 COC(=O)N1CCOCC1 7135AJ [0,1,0,0,0,1|2,0,0]=4 146 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,0,0,1|0,0,0]=2 147 B10R1.15 COC(=O)[C@@H]1CNCCN1 Z3220 [0,1,0,0,0,1|0,0,0]=2 148 B10R1.15 COC(=O)[C@@H]1CNCCO1 5838AA [0,1,0,0,0,1|1,0,0]=3 149 B10R1.15 COC(=O)[C@H]1CNCCO1 5839AA [0,1,0,0,0,1|1,0,0]=3 150 B10R1.15 NNC(=O)C1CCCNC1 8172AE [0,1,0,0,0,1|1,0,0]=3 151 B10R1.61 CC1CCCCC1C(=O)O 2112AL [0,1,0,0,0,1|1,0,0]=3 152 B10R1.61 CC1NCCCC1C(=O)O 1812AJ [0,1,0,0,0,1|0,0,0]=2 153 B10R1.61 CN1CCOC[C@H]1C(=O)O 9189AH [0,1,0,0,0,1|0,0,0]=2 154 B10R1.61 NC(=O)C1CCCCC1=O 1458AB [0,1,0,0,0,1|2,0,0]=4 155 B10R1.61 NC(=O)C1CNCCC1=O 7989AD [0,1,0,0,0,1|1,0,1]=4 156 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 9529AC [0,1,0,0,0,1|2,0,0]=4 157 B10R1.61 O=C(O)C1CNCCC1=O 1103AB [0,1,0,0,0,1|0,0,1]=3 158 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Z1639 [0,1,0,0,0,1|0,0,0]=2 159 B10R1.61 [C@@H]1(N)CCCC[C@H]1C(=O)O 0075AP [0,1,0,0,0,1|1,0,0]=3 160 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,1,0,0,0,1|1,0,0]=3 161 B10R1.113 CN1CCCC(C(N)=O)C1 5699AB [0,1,0,0,0,1|1,0,0]=3 162 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [0,1,0,0,0,1|0,0,0]=2 163 B10R1.113 NC(=O)[C@@H]1CCC[C@@H](N)C1 3253AF [0,1,0,0,0,1|2,0,0]=4 164 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,0,0,1|1,0,0]=3 165 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,1,0,0,0,1|0,0,0]=2 166 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,1,0,0,0,1|0,0,0]=2 167 B10R1.363 CC1(C(=O)O)CCCCO1 2984AE [0,1,0,0,0,1|1,0,0]=3 168 B10R1.363 CC1(C(N)=O)CCNCC1 2882AJ [0,1,0,0,0,1|2,0,0]=4 169 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 2973AH [0,1,0,0,0,1|0,0,0]=2 170 B10R1.363 C[C@]1(C(=O)O)CCCCN1 2920AH [0,1,0,0,0,1|0,0,0]=2 171 B10R1.363 NC1(C(=O)O)CCCOC1 2260AA [0,1,0,0,0,1|1,0,0]=3 172 B10R1.23 CC(C(=O)O)N1CCCC1 8686AC [0,1,0,0,0,1|2,0,0]=4 173 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 4842AJ [0,1,0,0,0,1|2,0,0]=4 174 B10R1.23 NC(C(=O)O)C1CCOC1 2767AA [0,1,0,0,0,1|2,0,0]=4 175 B10R1.27 COC(=O)CC1CCCN1 4209AJ [0,1,0,0,0,1|0,0,0]=2 176 B10R1.27 COC(=O)CC1CCCN1 TMBA033 [0,1,0,0,0,1|0,0,0]=2 177 B10R1.27 COC(=O)CC1CCCO1 0352AB [0,1,0,0,0,1|1,0,0]=3 178 B10R1.27 COC(=O)CC1CCNC1 6391AC [0,1,0,0,0,1|2,0,0]=4 179 B10R1.27 COC(=O)C[C@@H]1CCCN1 Z4512 [0,1,0,0,0,1|0,0,0]=2 180 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,1,0,0,0,1|2,0,0]=4 181 B10R1.54 N[C@@H]1CCN(CC(=O)O)C1 8924AH [0,1,0,0,0,1|2,0,0]=4 182 B10R1.54 N[C@H]1CCN(CC(=O)O)C1 9075AH [0,1,0,0,0,1|2,0,0]=4 183 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,1,0,0,0,1|1,0,0]=3 184 B10R1.54 O=C(O)CN1CCC(O)C1 3125AA [0,1,0,0,0,1|2,0,0]=4 185 B10R1.54 O=C(O)CN1CC[C@H](O)C1 Z2136 [0,1,0,0,0,1|2,0,0]=4 186 B10R1.64 CC1CCCC1CC(=O)O Y7155 [0,1,0,0,0,1|1,0,0]=3 187 B10R1.64 O=C(O)\C=C1/CCCC1=O 4938AC [0,1,0,0,0,1|1,0,1]=4 188 B10R1.6 COC(C)(C)[C@H]1CCCN1 8954AH [0,2,0,0,0,0|1,0,1]=4 189 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,2,0,0,0,0|1,0,1]=4 190 B10R1.11 CCOC(=O)[C@H]1CCNC1 6628AJ [0,2,0,0,0,0|2,0,0]=4 191 B10R1.14 COC(=O)C1=CC(Br)CC1 6388AC [0,2,0,0,0,0|1,0,1]=4 192 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,2,0,0,0,0|1,0,1]=4 193 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [0,2,0,0,0,0|1,0,0]=3 194 B10R1.149 COC(=O)C1CCCC1N 4088AB [0,2,0,0,0,0|1,0,0]=3 195 B10R1.149 COC(=O)C1CNCC1C 1878AF [0,2,0,0,0,0|2,0,0]=4 196 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N W3364 [0,2,0,0,0,0|1,0,0]=3 197 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N 8741AA [0,2,0,0,0,0|1,0,0]=3 198 B10R1.411 COC(=O)C1(C)CCCC1 4021AE [0,2,0,0,0,0|1,0,0]=3 199 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 9014AH [0,2,0,0,0,0|0,0,0]=2 200 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 0549AA [0,2,0,0,0,0|2,0,0]=4 201 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 5841AA [0,2,0,0,0,0|1,0,0]=3 202 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 4220AH [0,2,0,0,0,0|0,0,0]=2 203 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [0,2,0,0,0,0|2,0,0]=4 204 B10R1.128 CC1(C)CNCC1C(=O)O 2274AB [0,2,0,0,0,0|2,0,0]=4 205 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 8671AH [0,2,0,0,0,0|2,0,0]=4 206 B10R1.477 CNC1(C(=O)O)CCOC1 W6642 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,0,1,1,0,0|2,0,0]=4 208 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,0,1,1,0,0|2,0,0]=4 209 B8R1.4 NC1CCNC(=O)C1 X9664 [0,0,1,1,0,0|2,0,0]=4 210 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [0,0,1,1,0,0|1,0,1]=4 211 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [0,0,1,1,0,0|1,0,1]=4 212 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [0,0,1,1,0,0|1,0,1]=4 213 B8R1.22 O=C1COCCCN1 1535AL [0,0,1,1,0,0|2,0,0]=4 214 B8R1.34 O=C(O)CN1CCC1 1240AJ [0,0,1,1,0,0|0,0,0]=2 215 B8R1.34 O=C(O)CN1CCC1 9681AH [0,0,1,1,0,0|0,0,0]=2 216 B8R1.5 NC1CCCCC1=O Y8332 [0,0,1,1,0,0|1,0,0]=3 217 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,0,1,1,0,0|1,0,1]=4 218 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,0,1,1,0,0|1,0,1]=4 219 B8R1.5 O=C1CCCCC1F Z5041 [0,0,1,1,0,0|2,0,0]=4 220 B8R1.5 O=C1NCCC[C@H]1O 1192AB [0,0,1,1,0,0|2,0,0]=4 221 B8R1.5 O=C1NCCOC1=O 3605AL [0,0,1,1,0,0|1,0,1]=4 222 B8R1.5 O=C1OCCCC1O Y3190 [0,0,1,1,0,0|1,0,0]=3 223 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,0,1,1,0,0|1,0,0]=3 224 B8R2.34 C1NC2CNC1C2 8401AH [1,0,0,1,0,0|1,0,1]=4 225 B8R2.34 C1OC2CNC1C2 2689AB [1,0,0,1,0,0|0,0,1]=3 226 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 8384AH [1,0,0,1,0,0|1,0,1]=4 227 B10R2.62 C12CCN(CC1)CC2=O X7169 [0,0,0,1,0,1|2,0,0]=4 228 B10R2.355 O=C(O)C1NCC2CC21 2663AB [0,0,0,1,0,1|0,0,0]=2 229 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 3870AB [0,0,0,1,0,1|0,0,0]=2 230 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 X5561 [0,0,0,1,0,1|1,0,0]=3 231 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z1752 [0,0,0,1,0,1|1,0,0]=3 232 B10R2.25 [C@H]12CC[C@H](C1)C(=C)C2=O 6112AL [0,1,0,1,0,0|2,0,0]=4 233 B10R2.178 [C@@H]12CC[C@@H](O1)C(=O)NC2 0317AF [0,1,0,1,0,0|2,0,0]=4 234 B10R2.348 O=C(O)C12CC(CN1)C2 X7953 [0,1,0,1,0,0|0,0,0]=2 235 B6R1.11 O=C(O)C1CO1 4445AJ [0,0,0,0,2,0|1,0,0]=3 236 B6R1.11 O=C(O)[C@@H]1CN1 9211AA [0,0,0,0,2,0|0,0,0]=2 237 B6R1.11 O=C(O)[C@H]1CN1 1874AC [0,0,0,0,2,0|0,0,0]=2 238 B6R1.11 [C@@H]1(C(=O)[O-])CO1 0147AF [0,0,0,0,2,0|1,0,1]=4 239 B8R0.16 CCN(CC)CC(=O)O 8208AD [0,0,1,0,0,1|2,0,0]=4 240 B8R1.2 BrCC1CCCNC1 5702AJ [1,0,0,0,0,1|1,0,1]=4 241 B8R1.2 BrCC1CCCNC1 7322AC [1,0,0,0,0,1|1,0,1]=4 242 B8R1.2 CC[C@@H]1CNCCN1 W6295 [1,0,0,0,0,1|1,0,1]=4 243 B8R1.2 FCC1CCCNC1 2978AD [1,0,0,0,0,1|1,0,1]=4 244 B8R1.2 N#CC1CNCCN1 9783AA [1,0,0,0,0,1|1,0,1]=4 245 B8R1.2 N#CC1COCCN1 6801AC [1,0,0,0,0,1|1,0,1]=4 246 B8R1.2 N#C[C@@H]1CCCCN1 1284AL [1,0,0,0,0,1|1,0,1]=4 247 B8R1.2 N#C[C@H]1CNCCN1 4124AA [1,0,0,0,0,1|1,0,1]=4 248 B8R1.2 NCC1COCCN1 5822AC [1,0,0,0,0,1|1,0,1]=4 249 B8R1.2 O=CC1CCNCC1 Y9263 [1,0,0,0,0,1|1,0,0]=3 250 B10R1.18 O=C(O)C=C1CCNCC1 4458AJ [0,0,0,0,0,2|1,0,1]=4 251 B10R1.18 O=C(O)CC1CNCCN1 7202AA [0,0,0,0,0,2|0,0,0]=2 252 B10R1.18 O=C(O)CC1COCCN1 3483AC [0,0,0,0,0,2|0,0,0]=2 253 B10R1.18 O=C(O)C[C@@H]1CNCCO1 4888AA [0,0,0,0,0,2|1,0,0]=3 254 B10R1.18 O=C(O)C[C@@H]1COCCN1 4871AA [0,0,0,0,0,2|0,0,0]=2 255 B10R1.18 O=C(O)C[C@H]1CNCCO1 4890AA [0,0,0,0,0,2|1,0,0]=3 256 B10R1.18 O=C(O)C[C@H]1COCCN1 4891AA [0,0,0,0,0,2|0,0,0]=2 257 B10R1.348 CC(=O)N1CCCNCC1 0843AD [0,0,0,0,0,2|2,0,0]=4 258 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,0,0,0,0,2|0,0,0]=2 259 B10R1.66 NC(=O)COC1CCCC1 5275AJ [0,0,0,0,0,2|2,0,0]=4 260 B10R1.66 O=C(O)CC[C@@H]1CCCN1 9638AB [0,0,0,0,0,2|0,0,0]=2