0 B5R0.2 BrCCCCBr D69410 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrC\C=C\CBr D60806 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCCCCl C68183 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCI I8474 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCCN P41368 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C#CCCCO P68382 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.2 C=CCCCBr B41237 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C=CCCCCl C41238 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 C=CCCCO P36921 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CCCCON B40310 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCO\C=C/Br B2725 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 CNCCCCl C39954 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CNCCCO M36844 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 CNCCOC M23409 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 COCCC#N M39153 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 COCCCBr B68335 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 COCCCO M69411 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.2 ClCC#CCCl D40070 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 ClCCCCI C40239 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 ICCCCI D37834 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 N#CCCCBr B67593 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 N#CCCCCl C64907 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 NCCCCBr B39952 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.2 NCCCCN D39162 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.2 NC\C=C/CCl C65470 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 NC\C=C/CN B69714 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 OCCCCBr B67330 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 OC\C=C\CO B64254 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 C#CCCN B40327 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.2 C#CCCO B26554 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.2 C#CCNC M60803 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 C#CCON P6115 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.2 C=CCON A39923 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CNCC#N M39141 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 COCCI K39881 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|1,1,0]=3 44 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 N#CCCN C64951 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 N#CCCO H67414 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 N#CCCS M39860 [1,0,0,0,0,0|1,1,1]=4 49 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.2 NOCCO A39786 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.2 OCC#CI I9917 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.1 C=C(OCC)[Zn]Cl E4486 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.1 CCOC(=O)C#N E15572 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 CCOC(=O)CN G69291 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|0,0,1]=2 63 B6R0.1 CCOC(=O)NN E39139 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCOC(=O)OC E40254 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.1 CNC(=O)CCN A40306 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 COC(=O)CCBr M39155 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 COC(=O)CCN M67902 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 COC(=O)CCO M24551 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)CCCCl C68599 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(=O)NCCN A68626 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(=O)NCCO H68625 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.4 CC(=O)OCCBr B67892 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.4 CC(C)=CCCBr B0351 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CC(C)CCCO M67872 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.4 CC(C)NCCCl C40431 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CC(C)OCCBr B69154 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.4 CCCCC(=N)N P41343 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CCCCC(=O)[O-] S38573 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.4 CCCOC(N)=O P40264 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CN(C)CCCBr B40430 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.4 CN(C)CCCCl C69241 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CNCCC(=O)O M40350 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 COCCC(=O)O M40255 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 O=C(O)CCCBr B39154 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 O=C(O)CCCCl C40232 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 BrCCNCCBr B28721 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.6 C#CCCCCI K43321 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.6 C#CCCCCO H41456 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.6 C=CCCCCBr B9212 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.6 C=CCCCCO H41549 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.6 C=CCCCC[Mg+] H5025 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 C=COCCON V65141 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.6 CC=CCCCO H41548 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.6 CCCCCC[Mg+] H31703 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.6 CCCCCNC M41618 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.6 CCC\C=C\CO H41550 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.6 CCOCCC#N E41255 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.6 CNCCCCBr B40429 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.6 CNCCCCO M38840 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.6 COCCCCBr B40422 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.6 C\C=C\C=C\CO H69109 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.6 ClCCCCCBr B39164 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.6 ClCCNCCCl B69332 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.6 FCCCCCBr B37978 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.6 ICCCCCI D24633 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.6 N#CCCCCBr B41217 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.6 N#CCCCCCl C69554 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.6 N#CCCCCN A6983 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.6 NCCNCCO A68374 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.6 NCCOCCN X39968 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.6 NCCOCCN X40357 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.6 O=CCCCCCl C41277 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.6 O=CCCCCO H32202 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.6 OCCOCCCl C60784 [0,1,0,0,0,0|0,0,0]=1 120 B6R0.6 OCCOCCO D43939 [0,1,0,0,0,0|0,0,0]=1 121 B6R1.1 C1=CCNCC1 T0540 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.1 C1=CCOCC1 D10810 [0,0,0,1,0,0|1,0,1]=3 123 B6R1.1 C1CCNCC1 P67647 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.1 C1CCNNC1 H8288 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.1 C1CCONC1 X13780 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.1 C1CCONC1 X40342 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.1 C1CNCOC1 X40263 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.1 C1CSCCN1 T17901 [0,0,0,1,0,0|1,1,0]=3 129 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|1,0,0]=2 131 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.2 NC1CC=CC1 A13279 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|1,0,2]=4 158 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|0,0,2]=3 159 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|0,1,2]=4 160 B6R1.2 OC1CC=CC1 C67522 [0,0,0,1,0,0|1,0,1]=3 161 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|0,0,0]=1 164 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|0,0,0]=1 168 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|0,0,0]=1 169 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.3 CNCC1CC1 C25333 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.3 ICCC1CC1 I23113 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.3 NCCC1CC1 C7864 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.3 NNCC1CC1 C25488 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.3 NOCC1CC1 C36851 [0,0,0,1,0,0|3,0,0]=4 176 B6R1.3 OCCC1CC1 C7861 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.3 OCCN1CC1 A69643 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.4 CC1NCC1F F21597 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,1,0,0|1,0,0]=2 180 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|0,0,2]=3 181 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.6 BrCC1COC1 B19169 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.6 FCC1CNC1 F21648 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.6 ICC1CCC1 I29708 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.6 ICC1COC1 I6937 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.6 N#CC1CCC1 C5653 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.6 N#C[C@H]1CCN1 A60326 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.6 NCC1CCC1 C0310 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.6 NCC1CCC1 C1144 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.6 NCC1CNC1 A13410 [0,0,0,1,0,0|3,0,0]=4 194 B6R1.6 NCC1COC1 O5691 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.6 NCC1CSC1 T6978 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.6 NNC1CCC1 C37776 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.6 OCC1CCC1 C67424 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.6 OCC1CNC1 A5874 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.6 OCC1CNC1 H12177 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.6 OCC1COC1 X6263 [0,0,0,1,0,0|2,0,0]=3 202 B6R1.6 OCC1CSC1 T20107 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,1,0,0|1,0,0]=2 204 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,1,0,0|1,0,0]=2 205 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,1,0,0|1,0,0]=2 206 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,1,0,0|0,0,0]=1 207 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,1,0,0|2,0,0]=3 208 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 210 B3R0.1 CCON E60797 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|0,0,1]=3 216 B5R0.1 C=CC[C@H](C)O P62507 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.1 CC#C[C@H](C)O B1790 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.1 CC(=O)CCCl C69539 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.1 CC(C)CNN B40316 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.1 CC(C)\C=N\O I2624 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.1 CCCB(O)O P5056 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 CCC[C@@H](C)N P16023 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CCC[C@H](C)N P22363 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 CCOC(=N)N E36845 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 CCOC(=S)[S-] P69346 [1,1,0,0,0,0|0,1,1]=4 226 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|0,0,1]=3 227 B5R0.1 CN(C)CCBr B39953 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.1 CNCC(=O)O M68590 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.1 COCC(=N)N M39928 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|0,0,1]=3 231 B5R0.1 COC[C@@H](C)N M40311 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.1 COC[C@@H](C)O M39959 [1,1,0,0,0,0|0,0,0]=2 233 B5R0.1 COC[C@H](C)O M61064 [1,1,0,0,0,0|0,0,0]=2 234 B5R0.1 C[C@@H](N)CCO A10772 [1,1,0,0,0,0|0,0,0]=2 235 B5R0.1 C[C@H](N)CCO A10771 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.1 C[C@H](N)CCO A39964 [1,1,0,0,0,0|0,0,0]=2 237 B5R0.1 C[C@H](O)CCO B68917 [1,1,0,0,0,0|0,0,0]=2 238 B5R0.1 NCC[P@H](=O)O A39788 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.1 NOCC(=O)O C40302 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.1 O=[N+]([O-])CCO N39779 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.1 OCCC(F)F D60407 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 C=C(CO)CO M5145 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|0,0,2]=4 244 B5R0.3 CC(CBr)CBr D40238 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.3 CC(CO)CO M60880 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 CCC(=N)NO H39883 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 CCC(=O)CN A32390 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.3 CCC(=O)CO H36713 [1,1,0,0,0,0|0,0,1]=3 249 B5R0.3 CCC(N)CC P40440 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 CC[C@@H](N)CO A39144 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.3 CC[C@@H](O)CO B39955 [1,1,0,0,0,0|0,0,0]=2 252 B5R0.3 CC[C@H](N)CO A39145 [1,1,0,0,0,0|0,0,0]=2 253 B5R0.3 CC[C@H](O)CO B39956 [1,1,0,0,0,0|0,0,0]=2 254 B5R0.3 COC(=O)CN M69126 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 COC(=O)CO M67586 [1,1,0,0,0,0|0,0,1]=3 256 B5R0.3 CO[C@@H](C)CN M40313 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.3 CO[C@@H](C)CO M68380 [1,1,0,0,0,0|0,0,0]=2 258 B5R0.3 CO[C@H](C)CN M40312 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 CO[C@H](C)CO M68381 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.3 NCC(O)CN D38498 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.3 NC[C@@H](O)CCl A39888 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.3 NC[C@@H](O)CO A67523 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 NC[C@H](Br)CBr D9273 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.3 NC[C@H](O)CCl A36622 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.3 NC[C@H](O)CCl A39887 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.3 NC[C@H](O)CF A28629 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.3 NC[C@H](O)CO A38562 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.3 NC[C@H](O)CO A67451 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.3 O=C[C@H](O)CO D39873 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 OC[C@@H](O)CCl C69122 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.3 OC[C@@H](O)CF F60905 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 OC[C@H](O)CCl C68371 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.3 OC[C@H](O)CF F60904 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|0,0,1]=3 277 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.2 CN(C)C[C@H](O)CO D68905 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.3 CCCC[C@@H](N)CO A43512 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 CCCOC(=O)OC M40388 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.5 CCOC(=O)C(=O)O E36772 [0,2,0,0,0,0|0,0,2]=4 288 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|0,0,1]=3 290 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|0,1,1]=4 292 B7R0.7 CCC[C@H](N)CCO A43513 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.7 CCOC(=O)CCBr E39188 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.7 CCOC(=O)CCI E41273 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|0,0,0]=2 296 B7R0.7 CCOC(=O)CNC S69399 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.7 CCOC(=O)CNN E67459 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.7 CCOC(=O)CSC E40386 [0,2,0,0,0,0|0,1,1]=4 299 B7R0.7 CCOC(=O)OCCl C38646 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.7 COCC(N)COC D40447 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.7 O=C(CCCl)CCCl D67616 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.4 CC(=O)CCCCBr B41532 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.4 CC(=O)OCCCBr B41266 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.4 CC(=O)OCCCCl C39190 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.4 CC(C)CCCCBr B43898 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.4 CCCCCB(O)O P38628 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.4 CCCCC[C@H](C)O H43947 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.4 CCCOCC(=O)O P40387 [0,2,0,0,0,0|0,0,1]=3 318 B7R0.4 CCOC=CC(=O)O E41226 [0,2,0,0,0,0|0,0,2]=4 319 B7R0.4 CN(C)CCCCO D41621 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.4 CNCCCC(=O)O M63276 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.4 COCCCC(=O)O M67387 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.4 C[C@H](O)CNCCO H40448 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.4 NC(=O)COCCCl C40247 [0,2,0,0,0,0|0,0,2]=4 324 B7R0.4 O=C(O)CCCCBr B39187 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.4 O=C(O)CCCCCl C39191 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.4 O=C(O)CCCCO H37199 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.4 O=C(O)CNCCO H40270 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.4 O=C(O)COCCCl C40236 [0,2,0,0,0,0|0,0,1]=3 329 B7R0.4 O=C([O-])CCCCO S41306 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.8 CS(=O)(=O)CCCO M6981 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.8 OCCCC(F)(F)F T69357 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.1 BrCCCCCCBr D41534 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.1 C#CCCCCCO H67855 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.1 C=CCCCCCBr B43831 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.1 C=CCCCCNC M43901 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.1 C=CCCCCNC M46504 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.1 CCCCCCCBr B43897 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.1 CCCCCCC[Mg+] H31707 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.1 CNCCCCNC D41624 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.1 COCCOCCI K40420 [0,2,0,0,0,0|0,0,0]=2 343 B7R0.1 COCCOCCN M38824 [0,2,0,0,0,0|0,0,0]=2 344 B7R0.1 ClCCCCCCBr B39200 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.1 ClCCCCCCI C38559 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.1 ICCCCCCI D41535 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.1 N#CCOCCCO H31839 [0,2,0,0,0,0|0,0,1]=3 348 B7R0.1 NCCCCCCN H68834 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.1 NCCCCCCO A36606 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.1 NCCCNCCBr B40441 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.1 NCCCNCCO H38578 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.1 OCCCCCCBr B41603 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.1 OCCCCCCCl C64682 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.1 OCCCCCCI I4468 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,2,0,0,0,0|2,0,0]=4 356 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.1 C1CSCN1 T38217 [1,0,0,1,0,0|1,1,0]=4 358 B5R1.1 C1CSCN1 T60563 [1,0,0,1,0,0|1,1,0]=4 359 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|1,0,0]=3 360 B5R1.2 BrC1CNC1 B13326 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 BrC1COC1 B5688 [1,0,0,1,0,0|1,0,0]=3 362 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,0]=3 364 B5R1.2 ClC1CNC1 C1323 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.2 ClC1COC1 C8470 [1,0,0,1,0,0|1,0,0]=3 366 B5R1.2 FC1CNC1 F5255 [1,0,0,1,0,0|2,0,0]=4 367 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|1,0,0]=3 368 B5R1.2 IC1CNC1 I13327 [1,0,0,1,0,0|2,0,0]=4 369 B5R1.2 IC1COC1 I5689 [1,0,0,1,0,0|1,0,0]=3 370 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|1,0,0]=3 371 B5R1.2 NC1CNC1 A5482 [1,0,0,1,0,0|2,0,0]=4 372 B5R1.2 NC1COC1 O5613 [1,0,0,1,0,0|1,0,0]=3 373 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|1,1,0]=4 374 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,2]=4 375 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|0,0,2]=4 376 B5R1.2 OC1CNC1 H2864 [1,0,0,1,0,0|1,0,0]=3 377 B5R1.2 OC1COC1 O5686 [1,0,0,1,0,0|0,0,0]=2 378 B5R1.2 SC1CNC1 A11453 [1,0,0,1,0,0|1,1,0]=4 379 B5R1.2 SC1COC1 O8471 [1,0,0,1,0,0|0,1,0]=3 380 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|1,0,0]=3 382 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|2,0,0]=4 384 B5R1.3 ClC[C@@H]1CO1 E10841 [1,0,0,1,0,0|1,0,0]=3 385 B5R1.3 ClC[C@H]1CO1 E10840 [1,0,0,1,0,0|1,0,0]=3 386 B5R1.3 NNC1CC1 C19179 [1,0,0,1,0,0|2,0,0]=4 387 B5R1.3 NNC1CC1 C32080 [1,0,0,1,0,0|2,0,0]=4 388 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,2]=4 389 B5R1.3 OC[C@@H]1CO1 X39872 [1,0,0,1,0,0|0,0,0]=2 390 B5R1.3 OC[C@H]1CO1 X60516 [1,0,0,1,0,0|0,0,0]=2 391 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|1,0,0]=3 392 B5R1.4 N[C@@H]1C[C@H]1F F32136 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.1 NCC1CCCC1 C5395 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.1 NNC1CCCC1 C22580 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.1 OCC1OCCO1 D40256 [0,1,0,1,0,0|0,0,0]=2 431 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|0,0,0]=2 434 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|0,0,0]=2 440 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|0,0,0]=2 441 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|0,0,0]=2 447 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|0,0,0]=2 448 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.3 BrC1CCCCC1 B69054 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.3 BrC1CCNCC1 B40375 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,1,0,0|1,1,0]=4 481 B7R1.3 C=C1CCNCC1 M19855 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.3 C=C1CCOCC1 M23324 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|0,2,0]=4 485 B7R1.3 CN1CCNCC1 M13367 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 ClC1CCNCC1 C40376 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 FC1CCNCC1 F6080 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.3 F[C@H]1CCCNC1 F1651 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.3 F[C@H]1CCCNC1 F7461 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.3 IC1CCOCC1 I1189 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 IC1CCSCC1 I31818 [0,1,0,1,0,0|1,1,0]=4 509 B7R1.3 NC1CCCCC1 C39283 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.3 NC1CCNCC1 P67610 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.3 NC1CCOCC1 A1504 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.3 NC1CCOCC1 T1169 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.3 NC1CCSCC1 T22381 [0,1,0,1,0,0|1,1,0]=4 514 B7R1.3 NC1CCSCC1 T5312 [0,1,0,1,0,0|1,1,0]=4 515 B7R1.3 NN1CCOCC1 A39946 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.3 N[C@H]1CCCNC1 P41385 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.3 N[C@H]1CCCNC1 P67457 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|0,0,2]=4 524 B7R1.3 O=C1CCNCC1 P23503 [0,1,0,1,0,0|1,0,1]=4 525 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,1,0,0|0,0,1]=3 526 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,1,0,0|0,1,1]=4 527 B7R1.3 O=C1COCCN1 M7700 [0,1,0,1,0,0|0,0,2]=4 528 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|0,0,1]=3 529 B7R1.3 O=S1CCNCC1 T5787 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.3 OC1CCNCC1 P24137 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 OC1CCNCC1 P41321 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.3 OC1CCOCC1 H0389 [0,1,0,1,0,0|0,0,0]=2 533 B7R1.3 OC1CCSCC1 H31816 [0,1,0,1,0,0|0,1,0]=3 534 B7R1.3 OC1COCOC1 D38760 [0,1,0,1,0,0|0,0,0]=2 535 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,1,0,0|0,0,0]=2 538 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,1,0,0|0,0,0]=2 544 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,1,0,0|0,0,0]=2 545 B7R1.3 SC1CCNCC1 P11895 [0,1,0,1,0,0|1,1,0]=4 546 B7R1.3 S[C@H]1CCCNC1 P15399 [0,1,0,1,0,0|1,1,0]=4 547 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,1,0,0|1,1,0]=4 551 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|0,0,1]=3 554 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.4 NC1CCCC1O A40401 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.4 NC1COCC1O A32163 [0,1,0,1,0,0|0,0,0]=2 561 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,1,0,0|0,0,0]=2 573 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,1,0,0|0,0,0]=2 574 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,1,0,0|0,0,0]=2 575 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,1,0,0|0,0,0]=2 582 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,1,0,0|1,0,1]=4 583 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,1,0,0|1,0,1]=4 584 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,1,0,0|1,0,0]=3 591 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,1,0,0|1,0,0]=3 592 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,1,0,0|0,0,0]=2 596 B7R1.5 CCC[C@@H]1ON1C M65450 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.6 CCOC1CNC1 E41322 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.6 CNCC1COC1 M8438 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.6 COCC1CNC1 A0186 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.6 COCC1CNC1 M1326 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|1,0,0]=3 604 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.6 ClCCN1CCC1 C11577 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.6 NCCC1CCC1 C15341 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.6 NCCN1CCC1 A25439 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.6 NNCC1CCC1 C17979 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.6 OCCC1COC1 X6653 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.6 OCCN1CCC1 A25441 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,1,0,0|0,0,0]=2 613 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.8 NCC1CCC1F F59751 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|1,0,0]=3 619 B7R1.8 OCC1CCC1F F60214 [0,1,0,1,0,0|1,0,0]=3 620 B7R1.10 CCN1CC(N)C1 A11460 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.10 CCN1CC(O)C1 A0524 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.10 CNC1CC(O)C1 M10596 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.10 NC1CC(CO)C1 A0314 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.10 NC1CC(CO)C1 A12367 [0,1,0,1,0,0|1,0,0]=3 628 B7R1.10 NCC1CC(O)C1 A12368 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.10 NCC1CC(O)C1 A7528 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,1,0,1,0,0|1,0,0]=3 639 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,1,0,1,0,0|1,0,0]=3 640 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.10 OCC1CC(Cl)C1 C11852 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.10 OCC1CC(F)C1 F31669 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.10 OCC1CC(O)C1 H40382 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.21 CC1(CCO)CC1 M22121 [0,1,0,1,0,0|1,0,0]=3 645 B7R1.22 CCC(=O)C1CC1 C24823 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,1,0,1,0,0|2,0,0]=4 647 B7R1.25 CC1(CN)CCC1 M1145 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.25 CC1(CN)CCC1 M14421 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.25 NC1(CO)CCC1 A10610 [0,1,0,1,0,0|1,0,0]=3 653 B7R1.25 NC1(CO)CCC1 A13167 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.25 NC1(CO)COC1 A6679 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.25 NCC1(F)CCC1 F19982 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.25 NCC1(O)CCC1 A21927 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.25 OCC1(F)CNC1 F11720 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.25 OCC1(F)COC1 F6264 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.25 OCC1(O)CNC1 B30129 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.25 OCC1(O)COC1 H31091 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.27 CC[C@]1(C)ON1C E65451 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|1,0,0]=3 670 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|1,0,0]=3 676 B7R1.14 FC1(F)CCNC1 D5712 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.14 O=S1(=O)OCCO1 D39773 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,1,0,0|1,0,0]=3 679 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.17 C[C@@H]1NCC1(F)F D59748 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,1,0,1,0,0|2,0,0]=4 682 B7R1.18 O=C(O)C1CCC1 C39184 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,1,0,0|0,0,1]=3 686 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,1,0,0|0,0,1]=3 687 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,1,0,0|0,0,1]=3 690 B7R1.18 OB(O)C1CCC1 C38656 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.20 O=C(O)CC1CC1 C11216 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.23 OC[C@@H]1CC1(F)F D59953 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.24 C1=CCCNCC1 T67173 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.24 C1CCCNCC1 H64495 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.24 C1CNCCNC1 H67920 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.24 C1CNCCOC1 X1345 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.24 C1CNCCSC1 H6236 [0,1,0,1,0,0|1,1,0]=4 698 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,2,0,0|2,0,0]=4 699 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,2,0,0|2,0,0]=4 700 B7R2.13 C1NCC2CC12 A13737 [0,0,0,2,0,0|2,0,0]=4 701 B7R2.13 C1NCC2CC12 A1579 [0,0,0,2,0,0|2,0,0]=4 702 B7R2.13 C1OCC2OC12 E12004 [0,0,0,2,0,0|0,0,0]=2 703 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,2,0,0|2,0,0]=4 704 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,2,0,0|2,0,0]=4