0 B5R0.2 BrCCCCBr D69410 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCCl C68183 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCCI I8474 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCN P41368 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCCO P68382 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.2 C=CCCCBr B41237 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C=CCCCCl C41238 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 C=CCCCO P36921 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCCON B40310 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCO\C=C/Br B2725 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 CNCCCCl C39954 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 CNCCCO M36844 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.2 CNCCOC M23409 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.2 COCCC#N M39153 [0,0,0,0,0,0|1,1,1]=3 14 B5R0.2 COCCCBr B68335 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.2 COCCCO M69411 [0,0,0,0,0,0|0,1,2]=3 16 B5R0.2 ClCCCCI C40239 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 ICCCCI D37834 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 N#CCCCBr B67593 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 N#CCCCCl C64907 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 NCCCCBr B39952 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 NCCCCN D39162 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 NOCC=CCl C39871 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.2 NOCCON E62368 [0,0,0,0,0,0|3,1,0]=4 24 B5R0.2 OCCCCBr B67330 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 C#CCCN B40327 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 C#CCCO B26554 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C#CCNC M60803 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|1,1,0]=3 31 B4R0.2 C=CCON A39923 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CNCC#N M39141 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|1,1,0]=3 38 B4R0.2 COCCI K39881 [1,0,0,0,0,0|1,1,0]=3 39 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 N#CCCN C64951 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 N#CCCO H67414 [1,0,0,0,0,0|1,1,1]=4 44 B4R0.2 N#CCCS M39860 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 NOCCO A39786 [1,0,0,0,0,0|1,1,1]=4 48 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|0,1,2]=4 50 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|0,1,2]=4 56 B6R0.4 C#CCCC(=O)O P68088 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.4 C#CCNC(N)=O P40179 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 C=CCCC(=O)O P37823 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.4 C=CCCC(N)=O P5022 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.4 CC(=O)CCCCl C68599 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(=O)NCCN A68626 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.4 CC(=O)NCCO H68625 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(=O)OCCBr B67892 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.4 CC(C)CCCO M67872 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CCCCC(=N)N P41343 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 CCCCC(=O)[O-] S38573 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CCCOC(N)=O P40264 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 CN(C)CCCBr B40430 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CN(C)CCCCl C69241 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 CN(C)\C=C\C=O D36904 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 CNCCC(=O)O M40350 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.4 CNCCN(C)C T41392 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.4 COC=CC(C)=O M41222 [0,1,0,0,0,0|0,1,2]=4 74 B6R0.4 COCCC(=O)O M40255 [0,1,0,0,0,0|0,1,0]=2 75 B6R0.4 N#CCCC(=O)O C69146 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 NCCCC(N)=O A40304 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 O=C(O)CCCBr B39154 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 O=C(O)CCCCl C40232 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 C#CCCCCI K43321 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.6 C#CCCCCO H41456 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.6 C=CCCCCBr B9212 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.6 C=CCCCCO H41549 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.6 C=CCCCC[Mg+] H5025 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.6 C=COCCON V65141 [0,1,0,0,0,0|2,1,0]=4 85 B6R0.6 CC=CCCCO H41548 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.6 CCCCCC[Mg+] H31703 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.6 CCCCCNC M41618 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.6 CCC\C=C\CO H41550 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.6 CCOCCC#N E41255 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.6 CNCCCCBr B40429 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.6 CNCCCCO M38840 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.6 COCCCCBr B40422 [0,1,0,0,0,0|1,1,1]=4 94 B6R0.6 ClCCCCCBr B39164 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 FCCCCCBr B37978 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 ICCCCCI D24633 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.6 N#CCCCCBr B41217 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.6 N#CCCCCCl C69554 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.6 N#CCCCCN A6983 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.6 O=CCCCCCl C41277 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.6 O=CCCCCO H32202 [0,1,0,0,0,0|1,0,0]=2 102 B6R1.1 C1=CCNCC1 T0540 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.1 C1=CCOCC1 D10810 [0,0,0,1,0,0|1,1,0]=3 104 B6R1.1 C1CCNCC1 P67647 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.1 C1CCNNC1 H8288 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.1 C1CCONC1 X13780 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.1 C1CCONC1 X40342 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.1 C1CNCOC1 X40263 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.1 C1CSCCN1 T17901 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|1,1,1]=4 112 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|1,1,1]=4 125 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|1,1,1]=4 126 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|1,1,1]=4 127 B6R1.2 NC1=NCCC1 D38561 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|1,1,1]=4 131 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|1,1,1]=4 132 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|1,1,1]=4 135 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|1,1,1]=4 136 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|1,1,1]=4 137 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|1,1,1]=4 138 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|1,0,1]=3 139 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,1,0,0|1,0,2]=4 141 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,1,0,0|1,0,1]=3 142 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.2 O=C1CCNN1 P39917 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|0,1,0]=2 146 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|0,0,0]=1 147 B6R1.2 O=C1NCCN1 K62398 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 O=C1NCCS1 T39859 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|1,0,2]=4 151 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|0,1,2]=4 152 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|1,0,2]=4 153 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|1,0,2]=4 154 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|0,1,2]=4 156 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|0,1,2]=4 157 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|1,1,1]=4 158 B6R1.3 CNCC1CC1 C25333 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.3 ICCC1CC1 I23113 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.3 NCCC1CC1 C7864 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.3 NNCC1CC1 C25488 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.3 NOCC1CC1 C36851 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.3 O=CNC1CC1 C65862 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.3 OCCC1CC1 C7861 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.6 BrCC1COC1 B19169 [0,0,0,1,0,0|1,1,1]=4 170 B6R1.6 C#CC1COC1 E59987 [0,0,0,1,0,0|1,1,1]=4 171 B6R1.6 CNC1CNC1 M1333 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.6 CNC1COC1 M5690 [0,0,0,1,0,0|2,1,0]=4 173 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.6 COC1CNC1 M0107 [0,0,0,1,0,0|2,1,0]=4 175 B6R1.6 CSC1CNC1 M0303 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.6 FCC1CNC1 F21648 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.6 ICC1CCC1 I29708 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.6 ICC1COC1 I6937 [0,0,0,1,0,0|1,1,1]=4 179 B6R1.6 N#CC1CCC1 C5653 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.6 N#CC1CNC1 A0188 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.6 N#CC1COC1 X61554 [0,0,0,1,0,0|1,1,1]=4 182 B6R1.6 NCC1CCC1 C0310 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.6 NCC1CCC1 C1144 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.6 NCC1CNC1 A13410 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.6 NCC1COC1 O5691 [0,0,0,1,0,0|1,1,1]=4 186 B6R1.6 NCC1CSC1 T6978 [0,0,0,1,0,0|1,0,1]=3 187 B6R1.6 NNC1CCC1 C37776 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.6 OCC1CCC1 C67424 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.6 OCC1CNC1 A5874 [0,0,0,1,0,0|1,0,2]=4 190 B6R1.6 OCC1CNC1 H12177 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.6 OCC1COC1 X6263 [0,0,0,1,0,0|0,1,2]=4 192 B6R1.6 OCC1CSC1 T20107 [0,0,0,1,0,0|0,0,2]=3 193 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,1,0,0|2,0,1]=4 194 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 195 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.1 CCON E60797 [2,0,0,0,0,0|1,1,0]=4 197 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.1 C#CCC(=O)O B38084 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.1 C=CC[C@H](C)O P62507 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.1 CC#CC(=O)O B67945 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.1 CC(=O)CC#N X40158 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 CC(=O)CCCl C69539 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.1 CC(C)CNN B40316 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.1 CCCB(O)O P5056 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CCC[C@@H](C)N P16023 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 CCC[C@H](C)N P22363 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.1 CCOC(=N)N E36845 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.1 CCOC(=S)[S-] P69346 [1,1,0,0,0,0|1,1,0]=4 213 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.1 CN(C)CC=O D39943 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.1 CN(C)CCBr B39953 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.1 CN(C)NC=O D66358 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.1 CNCC(=O)O M68590 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 CNCC(N)=O M68358 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 COCC(=N)N M39928 [1,1,0,0,0,0|1,1,0]=4 220 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|0,1,0]=3 221 B5R0.1 COC[C@@H](C)N M40311 [1,1,0,0,0,0|0,1,1]=4 222 B5R0.1 COC[C@@H](C)O M39959 [1,1,0,0,0,0|0,1,1]=4 223 B5R0.1 COC[C@H](C)O M61064 [1,1,0,0,0,0|0,1,1]=4 224 B5R0.1 C[C@@H](N)CCO A10772 [1,1,0,0,0,0|0,0,2]=4 225 B5R0.1 C[C@H](N)CCO A10771 [1,1,0,0,0,0|0,0,2]=4 226 B5R0.1 C[C@H](N)CCO A39964 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.1 C[C@H](O)CCO B68917 [1,1,0,0,0,0|0,0,2]=4 228 B5R0.1 N#CCC(N)=O C60562 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.1 NCCC(N)=O A67869 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.1 NCC[P@H](=O)O A39788 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.1 NOCC(=O)O C40302 [1,1,0,0,0,0|1,1,0]=4 232 B5R0.1 O=[N+]([O-])CCO N39779 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,1,0]=4 234 B5R0.3 CCC(N)CC P40440 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CC[C@@H](N)CO A39144 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.3 CC[C@@H](O)CO B39955 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.3 CC[C@H](N)CO A39145 [1,1,0,0,0,0|0,0,2]=4 238 B5R0.3 CC[C@H](O)CO B39956 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.3 CO[C@@H](C)CN M40313 [1,1,0,0,0,0|1,1,0]=4 240 B5R0.3 CO[C@@H](C)CO M68380 [1,1,0,0,0,0|0,1,1]=4 241 B5R0.3 CO[C@H](C)CN M40312 [1,1,0,0,0,0|1,1,0]=4 242 B5R0.3 CO[C@H](C)CO M68381 [1,1,0,0,0,0|0,1,1]=4 243 B5R0.3 O=CC(Br)C=O B2627 [1,1,0,0,0,0|0,1,1]=4 244 B5R0.3 O=C[C@H](O)CO D39873 [1,1,0,0,0,0|0,1,0]=3 245 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|0,1,1]=4 249 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|0,1,1]=4 250 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|0,1,1]=4 251 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 CCCCC(=O)NN P40425 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.3 CCCOC(=O)OC M40388 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.3 CNCCC(=O)OC M40412 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.3 COC(=O)CCCBr M39189 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 COC(=O)CCCCl M60517 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.3 COC(=O)CCCN M32376 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|0,1,1]=4 261 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,2,0,0,0,0|0,1,0]=3 271 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,2,0,0,0,0|0,1,0]=3 272 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,2,0,0,0,0|0,1,0]=3 273 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,2,0,0,0,0|0,1,0]=3 274 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,2,0,0,0,0|0,1,0]=3 275 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,2,0,0,0,0|1,1,0]=4 281 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.4 C#CCCCC(=O)O H43301 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.4 CC(=O)CCCCBr B41532 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.4 CC(=O)OCCCBr B41266 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.4 CC(=O)OCCCCl C39190 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.4 CCCCOC(N)=O B39165 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.4 CCCOCC(=O)O P40387 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.4 CCC\C=C\C(=O)O H41460 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.4 CNCCCC(=O)O M63276 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.4 COCCCC(=O)O M67387 [0,2,0,0,0,0|0,1,0]=3 295 B7R0.4 COCCNC(=N)N M37240 [0,2,0,0,0,0|1,1,0]=4 296 B7R0.4 COCCNC(N)=O M36648 [0,2,0,0,0,0|0,1,0]=3 297 B7R0.4 COC\C=C\C(=O)O M63576 [0,2,0,0,0,0|0,1,1]=4 298 B7R0.4 N#CCCCC(=O)O C41166 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.4 NC(=O)COCCCl C40247 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.4 O=C(O)CCCCBr B39187 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.4 O=C(O)CCCCCl C39191 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.4 O=C(O)CCCCO H37199 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.4 O=C(O)CNCCO H40270 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.4 O=C(O)COCCCl C40236 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.4 O=C([O-])CCCCO S41306 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.6 CC(=O)CCC(C)=O H64912 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.6 CC(=O)CNC(C)=O X41261 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.6 CN(C)CCC(=O)O D41335 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.6 NC(=O)CCC(=O)O A63078 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.6 O=C(O)CCC(F)F D59737 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.8 COCCS(=O)(=O)Cl M7006 [0,2,0,0,0,0|1,1,0]=4 313 B7R0.1 C=CCCCCCBr B43831 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.1 C=CCCCCNC M43901 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.1 C=CCCCCNC M46504 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.1 O=CCCCCC=O A3137 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [0,2,0,0,0,0|2,0,0]=4 318 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,1]=4 319 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 320 B5R1.1 C1CSCN1 T38217 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.1 C1CSCN1 T60563 [1,0,0,1,0,0|1,0,0]=3 322 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|1,0,1]=4 323 B5R1.2 BrC1CNC1 B13326 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.2 BrC1COC1 B5688 [1,0,0,1,0,0|1,1,0]=4 325 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|1,0,1]=4 326 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,1]=4 327 B5R1.2 ClC1CNC1 C1323 [1,0,0,1,0,0|2,0,0]=4 328 B5R1.2 ClC1COC1 C8470 [1,0,0,1,0,0|1,1,0]=4 329 B5R1.2 FC1CNC1 F5255 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|1,0,1]=4 331 B5R1.2 IC1CNC1 I13327 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.2 IC1COC1 I5689 [1,0,0,1,0,0|1,1,0]=4 333 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|1,0,1]=4 334 B5R1.2 NC1CNC1 A5482 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.2 NC1COC1 O5613 [1,0,0,1,0,0|1,1,0]=4 336 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|1,0,0]=3 337 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,0]=2 338 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,0]=3 339 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|0,1,0]=3 340 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|0,0,0]=2 341 B5R1.2 OC1CNC1 H2864 [1,0,0,1,0,0|1,0,1]=4 342 B5R1.2 OC1COC1 O5686 [1,0,0,1,0,0|0,1,1]=4 343 B5R1.2 SC1CNC1 A11453 [1,0,0,1,0,0|1,1,0]=4 344 B5R1.2 SC1COC1 O8471 [1,0,0,1,0,0|0,2,0]=4 345 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|1,0,1]=4 348 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|1,0,1]=4 349 B5R1.3 ClC[C@@H]1CO1 E10841 [1,0,0,1,0,0|1,1,0]=4 350 B5R1.3 ClC[C@H]1CO1 E10840 [1,0,0,1,0,0|1,1,0]=4 351 B5R1.3 NNC1CC1 C19179 [1,0,0,1,0,0|2,0,0]=4 352 B5R1.3 NNC1CC1 C32080 [1,0,0,1,0,0|2,0,0]=4 353 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,0]=2 354 B5R1.3 OC[C@@H]1CO1 X39872 [1,0,0,1,0,0|0,1,1]=4 355 B5R1.3 OC[C@H]1CO1 X60516 [1,0,0,1,0,0|0,1,1]=4 356 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.3 C=C1CCNCC1 M19855 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.3 C=C1CCOCC1 M23324 [0,1,0,1,0,0|1,1,0]=4 386 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|0,1,1]=4 389 B7R1.3 IC1CCSCC1 I31818 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.3 NC1CCSCC1 T22381 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.3 NC1CCSCC1 T5312 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|0,1,1]=4 394 B7R1.3 O=C1CCCCN1 P69632 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.3 O=C1CCCNC1 P1523 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.3 O=C1CCCNC1 P31811 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|0,1,0]=3 398 B7R1.3 O=C1CCCSC1 T1776 [0,1,0,1,0,0|0,0,0]=2 399 B7R1.3 O=C1CCNCC1 P23503 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,1,0,0|0,1,0]=3 401 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,1,0,0|0,0,0]=2 402 B7R1.3 O=C1CNCCN1 P10419 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.3 O=C1COCCN1 M7700 [0,1,0,1,0,0|0,1,0]=3 404 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|0,1,0]=3 405 B7R1.3 O=C1CSCCN1 T40230 [0,1,0,1,0,0|0,0,0]=2 406 B7R1.3 O=S1CCNCC1 T5787 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 OC1CCSCC1 H31816 [0,1,0,1,0,0|0,0,2]=4 408 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.4 CN1CCCC1=S M6872 [0,1,0,1,0,0|1,1,0]=4 410 B7R1.4 CN1CCN=C1N M40301 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.4 CN1CCNC1=O M40241 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|0,1,0]=3 414 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.4 NN1CCCC1=O A22230 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.6 C=CCC1CNC1 P20750 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.10 N#CC1CC(=O)C1 X10543 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.25 C=CC1(O)COC1 V13477 [0,1,0,1,0,0|1,1,0]=4 437 B7R1.25 CC1(C=O)COC1 M6233 [0,1,0,1,0,0|0,1,0]=3 438 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|0,0,2]=4 439 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.12 O=C(O)C1CC1F F20460 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.18 CC(=O)C1CCC1 C22926 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.18 CC(=O)C1CNC1 A18542 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.18 N=C(N)C1CCC1 C11379 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.18 NC(=O)C1CCC1 C36760 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.18 NC(=O)C1CNC1 A0189 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.18 NC(=O)C1CNC1 A10232 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.18 O=C(O)C1CCC1 C39184 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.18 O=C(O)C1CNC1 A0022 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.18 O=C(O)C1CNC1 A62344 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.20 O=C(O)CC1CC1 C11216 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.24 C1=CCCNCC1 T67173 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.24 C1CNCCSC1 H6236 [0,1,0,1,0,0|1,0,1]=4