0 B7R0.12 COC(CCBr)OC B40419 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.9 CCC(CC)C[Mg+] E31704 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.9 CCN(C=O)CC D68184 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.9 OCC(CO)CO H36774 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.11 CCCC[C@H](CC)CO E60781 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.11 CCN(CC)CCCCl C43946 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.20 COC(CO)C(Br)CO B65468 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.22 CCCN(C=O)CCC D43905 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,0,0,1,0,0|1,0,0]=2 16 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,0,0,1,0,0|0,0,0]=1 18 B8R1.1 COC1CCC(N)C1 M27196 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 BrCC1CCNCC1 B1292 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 BrCC1CCOCC1 B3933 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 C#CC1CCOCC1 E0568 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.2 CCN1CCNCC1 E13368 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.2 CNC1CCNCC1 M13774 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 CNC1CCOCC1 M10218 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.2 COC1=CCOCC1 M5825 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.2 COC1CCNCC1 M0482 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 COC1CCNCC1 M1164 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 FCC1CCNCC1 F1237 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 FCC1CCNCC1 F14211 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.2 ICC1CCOCC1 I10217 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 N#CC1CCOCC1 C1508 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 NCC1CCOCC1 T1166 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.2 NCC1CCSCC1 T13090 [0,0,0,1,0,0|2,1,0]=4 42 B8R1.2 NNC1CCOCC1 T12041 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.2 NNC1CCOCC1 T64234 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.2 O=CC1CCOCC1 T0115 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 O=CN1CCCCC1 P68910 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 O=CN1CCOCC1 M68909 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.2 OCC1CCNCC1 P0766 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 OCC1CCOCC1 H0390 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.2 OCC1CCSCC1 T13093 [0,0,0,1,0,0|2,1,0]=4 50 B8R1.2 ON=C1CCOCC1 T0658 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.8 C#CCN1CCCC1 P46471 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.8 ClCCN1CCCC1 C41544 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.8 N#CCN1CCCC1 C43583 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.8 N#CCN1CCCC1 P38197 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.8 NCCC1CCCC1 C46503 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.8 NCCN1CCCC1 P41605 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,0,0,1,0,0|2,0,0]=3 61 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.1 CN(C)CCBr B39953 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.15 CC[C@@H](CO)C(C)C E43948 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.18 CCC(Br)(CC)CC B43899 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.18 CC[N+](C)(CC)CC D46614 [1,1,0,0,0,0|0,0,1]=3 86 B9R0.37 CCN(CC)C(=O)CC#N C43790 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.67 CC[N+](C)(CC)CCOC D7129 [0,2,0,0,0,0|0,0,1]=3 88 B9R0.67 CC[N+](C)(CC)CCOC D7144 [0,2,0,0,0,0|0,0,1]=3 89 B9R0.17 CCOC(CCN)OCC A43954 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.17 CCOC(CCO)OCC D43950 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|0,0,2]=4 107 B7R1.2 CN1CC[C@@H](N)C1 M0134 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.2 CN1CC[C@@H](O)C1 H0285 [1,0,0,1,0,0|0,0,0]=2 109 B7R1.2 CN1CC[C@H](N)C1 M0133 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.2 CN1CC[C@H](N)C1 M0135 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.2 CN1CC[C@H](O)C1 H0283 [1,0,0,1,0,0|0,0,0]=2 112 B7R1.2 CN1CC[C@H](O)C1 H0284 [1,0,0,1,0,0|0,0,0]=2 113 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 NC1CCC(O)C1 A1764 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.2 OC1CCC(O)C1 C24450 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.3 CN1CCNCC1 M13367 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.3 IC1CCOCC1 I1189 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.3 NC1CCOCC1 A1504 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.3 NC1CCOCC1 T1169 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 NN1CCOCC1 A39946 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 OC1CCOCC1 H0389 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.6 ClCCN1CCC1 C11577 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.6 NCCN1CCC1 A25439 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|0,0,0]=2 144 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.8 CN1CC[C@@H]1CN A14392 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.8 CN1CC[C@@H]1CN A14394 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.8 CN1CC[C@H]1CN A14393 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.10 CCN1CC(N)C1 A11460 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.10 CCN1CC(O)C1 A0524 [1,0,0,1,0,0|0,0,0]=2 152 B7R1.10 CNC1CC(O)C1 M10596 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.10 NCC1CC(O)C1 A12368 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.10 NCC1CC(O)C1 A7528 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.10 OCC1CC(O)C1 H40382 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.21 CC1(CCO)CC1 M22121 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.29 OCC1(CO)CC1 B3821 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.1 CCN1CCC(O)CC1 E23233 [0,1,0,1,0,0|0,0,0]=2 168 B9R1.1 CNC1CCC(O)CC1 M43910 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.1 COC1CCC(O)CC1 M43887 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.12 BrCCCN1CCCC1 B43883 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.12 ClCCCN1CCCC1 C24351 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.12 ClCCCN1CCCC1 C43884 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.12 NCCCN1CCCC1 P43942 [0,1,0,1,0,0|1,0,0]=3 183 B9R1.12 OCCCN1CCCC1 P43909 [0,1,0,1,0,0|0,0,0]=2 184 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.6 CC(C)N1CCNCC1 I13369 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.24 CCN1CCOS1(=O)=O E7788 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,1,0,0|0,0,1]=3 193 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,1,0,0|0,0,1]=3 195 B9R1.35 CC(C)N1CC[C@H](N)C1 P26442 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.35 CC(C)N1CC[C@H](N)C1 P46605 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|0,0,1]=3 198 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|0,0,2]=4 199 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|1,0,1]=4 201 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|0,0,1]=3 202 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|0,0,1]=3 203 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.7 CN1CC[C@H](CCN)C1 M10321 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.8 BrCCN1CCCCC1 B43882 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.8 BrCCN1CCOCC1 B32212 [0,1,0,1,0,0|0,0,0]=2 211 B9R1.8 BrCCN1CCOCC1 B38590 [0,1,0,1,0,0|0,0,0]=2 212 B9R1.8 C#CCN1CCOCC1 P43769 [0,1,0,1,0,0|0,0,1]=3 213 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.8 CCNC1CCOCC1 E43915 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.8 CNCC1CCOCC1 M1162 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.8 COCC1CCNCC1 M14337 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.8 COCC1CCNCC1 M26475 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.8 ClCCN1CCCCC1 C13526 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.8 FCCN1CCNCC1 F28670 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.8 N#CCC1CCOCC1 T43772 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.8 N#CCN1CCOCC1 M68589 [0,1,0,1,0,0|0,0,1]=3 224 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.8 NCCC1CCOCC1 A1671 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.8 NCCC1CCOCC1 T46515 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.8 NCCN1CCCCC1 P22781 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.8 NCCN1CCCCC1 P46604 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.8 NCCN1CCOCC1 M41610 [0,1,0,1,0,0|0,0,0]=2 230 B9R1.8 NNCC1CCOCC1 T18614 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.8 O=CCC1CCOCC1 T12448 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.8 O=CCN1CCOCC1 M13720 [0,1,0,1,0,0|0,0,1]=3 233 B9R1.8 OCCC1CCNCC1 P24598 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.8 OCCC1CCOCC1 H10319 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.8 OCCC1SCCCS1 D41570 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.8 OCCN1CCNCC1 H13372 [0,1,0,1,0,0|0,0,0]=2 237 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.175 COC1(CCO)COC1 M60309 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.118 CC1(CN)CCOCC1 A14519 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.118 CC1(CO)CCOCC1 H14518 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.118 CCC1(N)CCOCC1 E29635 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.118 CCC1(O)CCNCC1 E1770 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.118 CCC1(O)CCNCC1 E7766 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.118 NC1(CO)CCOCC1 A1161 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.118 NCC1(F)CCOCC1 A11518 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.118 NCC1(F)CCOCC1 F37083 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.118 NCC1(O)CCOCC1 A15691 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.118 OCC1(F)CCOCC1 H8035 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.134 OCCC1(O)CCCC1 H6282 [0,1,0,1,0,0|1,0,0]=3 258 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,0,0,2,0,0|2,0,0]=4 259 B9R2.39 OC1CC2CC1CN2 A13307 [0,0,0,2,0,0|2,0,0]=4 260 B9R2.39 OC1CC2CC1CN2 A29726 [0,0,0,2,0,0|2,0,0]=4 261 B9R2.39 OC1CC2CNC1C2 A31041 [0,0,0,2,0,0|2,0,0]=4 262 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [0,0,0,2,0,0|2,0,0]=4 263 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|1,0,0]=3 264 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [0,0,0,2,0,0|2,0,0]=4 265 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [0,0,0,2,0,0|2,0,0]=4 266 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [0,0,0,2,0,0|2,0,0]=4 267 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,2,0,0|1,0,0]=3 268 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,2,0,0|1,0,0]=3 269 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,2,0,0|1,0,0]=3 270 B9R2.49 C1CN2CCC1CC2 Q68615 [0,0,0,2,0,0|1,0,0]=3 271 B9R2.49 C1CN2CCN1CC2 D69295 [0,0,0,2,0,0|1,0,0]=3 272 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 X13543 [0,0,0,2,0,0|2,0,0]=4 273 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [0,0,0,2,0,0|2,0,0]=4 274 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [0,0,0,2,0,0|2,0,0]=4 275 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [0,0,0,2,0,0|2,0,0]=4 276 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [0,0,0,2,0,0|2,0,0]=4 277 B9R2.174 C1CC2(CCN1)CC2 A8606 [0,0,0,2,0,0|2,0,0]=4 278 B9R2.174 C1CC2(CCO1)CO2 D22002 [0,0,0,2,0,0|2,0,0]=4 279 B9R2.3 C1CC2CNCC2O1 H15277 [0,0,0,2,0,0|2,0,0]=4 280 B9R2.173 C1CC2(CCO2)CN1 X12068 [0,0,0,2,0,0|2,0,0]=4 281 B9R2.173 C1CCC2(C1)CCN2 A14687 [0,0,0,2,0,0|2,0,0]=4 282 B9R2.173 C1C[C@@]2(CCO2)CN1 O5948 [0,0,0,2,0,0|2,0,0]=4 283 B9R2.173 C1C[C@@]2(CCO2)CN1 X8445 [0,0,0,2,0,0|2,0,0]=4