0 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,0,0,0,0,0|1,1,1]=3 4 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,0,0,0,0,0|1,1,1]=3 9 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.1 C=CC[C@@H](N)CO A41325 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCC[C@H](N)CO A40443 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.1 CCC[C@H](N)CO A66421 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CNC[C@H](O)CO M37886 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|1,1,1]=4 18 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 CC(C)[C@H](N)CO V40442 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CC[C@H](C)B(O)O B39967 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [1,0,0,0,0,0|1,1,0]=3 30 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [1,0,0,0,0,0|1,1,0]=3 31 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,0,0,0,0|1,1,1]=4 32 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,1,0,0,0,0|1,1,1]=4 33 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,1,0,0,0,0|1,1,1]=4 34 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,1,0,0,0,0|1,1,1]=4 36 B8R0.20 COC(CO)C(Br)CO B65468 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.5 CC1CCNCC1O H11697 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.5 CC1CCNCC1O H11698 [0,0,0,1,0,0|2,1,0]=4 39 B8R1.5 CC1CNCCC1O M17031 [0,0,0,1,0,0|1,1,0]=3 40 B8R1.5 CC1CNCCC1O M41575 [0,0,0,1,0,0|1,1,0]=3 41 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,1,0,0|2,1,0]=4 43 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,1,0,0|2,1,0]=4 44 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,1,0,0|2,1,0]=4 45 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,1,0,0|1,1,0]=3 47 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,1,1]=4 51 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,1,0,0|2,1,0]=4 52 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|1,1,1]=4 53 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|1,1,1]=4 54 B8R1.5 C[C@H]1CNCCN1C D11166 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.5 C[C@H]1CNCCN1C D23865 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.5 C[C@H]1CNCCN1C D41606 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|0,1,1]=3 58 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.5 NC1COCCC1O A7869 [0,0,0,1,0,0|1,1,0]=3 63 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,0,0,1,0,0|2,1,0]=4 66 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,0,0,1,0,0|2,1,0]=4 67 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,0,0,1,0,0|1,1,0]=3 75 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,0,0,1,0,0|1,1,0]=3 76 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,0,0,1,0,0|1,1,0]=3 77 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,0,0,1,0,0|2,1,0]=4 79 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,0,0,1,0,0|2,1,0]=4 80 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,0,0,1,0,0|2,1,0]=4 82 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,0,0,1,0,0|2,1,0]=4 83 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,0,0,1,0,0|1,1,0]=3 89 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,0,0,1,0,0|1,1,0]=3 90 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|1,1,1]=4 91 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|1,1,1]=4 92 B8R1.5 OC1CCCCC1Cl C41533 [0,0,0,1,0,0|2,1,0]=4 93 B8R1.5 OC1CCNCC1F F32301 [0,0,0,1,0,0|2,1,0]=4 94 B8R1.5 OC1CCOCC1F F20039 [0,0,0,1,0,0|1,1,0]=3 95 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,0,0,1,0,0|2,1,0]=4 96 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,0,0,1,0,0|2,1,0]=4 97 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,0,0,1,0,0|1,1,0]=3 98 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,0,0,1,0,0|2,1,0]=4 100 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,0,0,1,0,0|2,1,0]=4 101 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,0,0,1,0,0|2,1,0]=4 102 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,0,0,1,0,0|2,1,0]=4 103 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,0,0,1,0,0|2,1,0]=4 104 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,0,0,1,0,0|1,1,0]=3 105 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,0,0,1,0,0|1,1,0]=3 106 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,0,0,1,0,0|2,1,0]=4 108 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|1,1,1]=4 109 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.11 CN1CCC[C@H]1CN M0297 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.11 CN1CCC[C@H]1CN M43564 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.11 CN1CCC[C@H]1CO M12480 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,0,0,1,0,0|2,1,0]=4 122 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,0,0,1,0,0|2,1,0]=4 123 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|0,1,1]=3 124 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,0,0,1,0,0|1,1,1]=4 125 B8R1.38 CC(CO)C1CCO1 X60289 [0,0,0,1,0,0|0,1,0]=2 126 B8R1.38 COC(=O)C1COC1 M15764 [0,0,0,1,0,0|1,1,1]=4 127 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|0,0,2]=4 128 B5R0.1 CC#C[C@H](C)O B1790 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 CN(C)CCBr B39953 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|1,0,0]=3 138 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|0,1,0]=3 141 B5R0.1 OCCC(F)F D60407 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 BrCCCCBr D69410 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 C#CCCCO P68382 [2,0,0,0,0,0|0,0,2]=4 144 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|0,0,2]=4 145 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.2 ClCCCCI C40239 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 ICCCCI D37834 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.2 NCCCCBr B39952 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.2 NCCCCN D39162 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 CC(CBr)CBr D40238 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|0,1,0]=3 157 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|0,1,1]=4 158 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|0,1,0]=3 161 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|0,1,0]=3 163 B5R0.3 CO[C@@H](C)CN M40313 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.3 CO[C@H](C)CN M40312 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.3 NC[C@@H](O)CO A67523 [2,0,0,0,0,0|1,1,0]=4 168 B5R0.3 NC[C@H](O)CO A38562 [2,0,0,0,0,0|1,1,0]=4 169 B5R0.3 NC[C@H](O)CO A67451 [2,0,0,0,0,0|1,1,0]=4 170 B5R0.3 OC[C@@H](O)CCl C69122 [2,0,0,0,0,0|1,1,0]=4 171 B5R0.3 OC[C@@H](O)CF F60905 [2,0,0,0,0,0|1,1,0]=4 172 B5R0.3 OC[C@H](O)CCl C68371 [2,0,0,0,0,0|1,1,0]=4 173 B5R0.3 OC[C@H](O)CF F60904 [2,0,0,0,0,0|1,1,0]=4 174 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [2,0,0,0,0,0|0,1,0]=3 175 B5R0.5 C[C@H](O)[C@H](C)O B39958 [2,0,0,0,0,0|0,1,0]=3 176 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 CN(C)C[C@H](O)CO D68905 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.2 C[C@H](CCl)CN(C)C C41612 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|0,1,1]=4 188 B7R0.7 COCC(N)COC D40447 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.14 C[C@@H](CO)C(F)(F)F T36837 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.15 CC[C@@H](CO)C(C)C E43948 [1,1,0,0,0,0|0,1,0]=3 193 B7R0.16 CC(C)C(N)C(C)C D46525 [1,1,0,0,0,0|1,0,0]=3 194 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [0,2,0,0,0,0|0,1,1]=4 195 B9R0.37 CCOC(=O)C(CO)CO E64559 [0,2,0,0,0,0|0,1,1]=4 196 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.1 FC[C@@H]1CCNC1 F60420 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.1 FC[C@H]1CCCN1 F12954 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.1 NC[C@H]1CCCN1 A60830 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.1 NNC1CCCC1 C22580 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,2]=4 219 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|0,0,2]=4 220 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|0,0,0]=2 221 B7R1.1 OCC1OCCO1 D40256 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.2 CN1CC[C@@H](O)C1 H0285 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.2 CN1CC[C@H](O)C1 H0283 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.2 CN1CC[C@H](O)C1 H0284 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.2 NC1CCC(O)C1 A1764 [1,0,0,1,0,0|1,0,0]=3 246 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|0,1,1]=4 256 B7R1.2 OC1CCC(O)C1 C24450 [1,0,0,1,0,0|0,1,0]=3 257 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,0,0,1,0,0|0,1,0]=3 258 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,0,0,1,0,0|0,1,0]=3 259 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 BrC1CCNCC1 B40375 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,1,0,0|1,0,0]=3 262 B7R1.3 BrC1CCSCC1 B31817 [1,0,0,1,0,0|1,1,0]=4 263 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.3 C[C@@H]1CNCCN1 M10716 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.3 C[C@H]1CNCCN1 M10717 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 ClC1CCNCC1 C40376 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.3 FC1CCNCC1 F6080 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 F[C@@H]1CCCNC1 F7495 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 F[C@H]1CCCNC1 F1651 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 F[C@H]1CCCNC1 F7461 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 IC1CCOCC1 I1189 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 IC1CCSCC1 I31818 [1,0,0,1,0,0|1,1,0]=4 287 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 NC1CCNCC1 P67610 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 NC1CCOCC1 A1504 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.3 NC1CCOCC1 T1169 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 NC1CCSCC1 T22381 [1,0,0,1,0,0|1,1,0]=4 292 B7R1.3 NC1CCSCC1 T5312 [1,0,0,1,0,0|1,1,0]=4 293 B7R1.3 NN1CCOCC1 A39946 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 N[C@@H]1CCCNC1 A10836 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 N[C@@H]1CCCNC1 P32424 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.3 N[C@H]1CCCNC1 P41385 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.3 N[C@H]1CCCNC1 P67457 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|0,1,1]=4 303 B7R1.3 OC1CCNCC1 P24137 [1,0,0,1,0,0|1,1,0]=4 304 B7R1.3 OC1CCNCC1 P41321 [1,0,0,1,0,0|1,1,0]=4 305 B7R1.3 OC1CCOCC1 H0389 [1,0,0,1,0,0|0,1,0]=3 306 B7R1.3 OC1CCSCC1 H31816 [1,0,0,1,0,0|0,2,0]=4 307 B7R1.3 OC1COCOC1 D38760 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 O[C@@H]1CCCNC1 H12298 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 O[C@@H]1CCCNC1 H1652 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|1,0,0]=3 311 B7R1.3 O[C@H]1CCCNC1 H0276 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 O[C@H]1CCCNC1 H10264 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 O[C@H]1CCCNC1 H10265 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 O[C@H]1CCCNC1 H4736 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.3 SC1CCNCC1 P11895 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.3 S[C@H]1CCCNC1 P15399 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.3 [Mg+]C1CCSCC1 T31824 [1,0,0,1,0,0|1,1,0]=4 323 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|0,1,1]=4 326 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,2]=4 327 B7R1.4 NC1CCCC1O A40401 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.4 NC1COCC1O A32163 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.4 O[C@H]1COC[C@H]1O A10821 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.6 CCNC1COC1 E8452 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.6 CCOC1CNC1 E41322 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.6 CNCC1COC1 M8438 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.6 COCC1CNC1 A0186 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.6 COCC1CNC1 M1326 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|0,1,0]=3 360 B7R1.8 NCC1CCC1F F59751 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|0,1,1]=4 362 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.10 CCN1CC(O)C1 A0524 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.10 CN1CC(CN)C1 M7239 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.10 CNC1CC(O)C1 M10596 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.10 NC1CC(CO)C1 A0314 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.10 NC1CC(CO)C1 A12367 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.10 NCC1CC(O)C1 A12368 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.10 NCC1CC(O)C1 A7528 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.10 OCC1CC(Cl)C1 C11852 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.10 OCC1CC(F)C1 F31669 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.10 OCC1CC(O)C1 H40382 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.21 CC1(CCO)CC1 M22121 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.22 CC[C@H](O)C1CC1 C29750 [1,0,0,1,0,0|1,1,0]=4 389 B7R1.25 CC1(CBr)COC1 B0548 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.25 CC1(CCl)COC1 C8473 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.25 CC1(CI)COC1 I1186 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.25 CC1(CN)CCC1 M1145 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.25 CC1(CN)CCC1 M14421 [1,0,0,1,0,0|1,0,0]=3 394 B7R1.25 CC1(CN)CNC1 M7823 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.25 CC1(CN)COC1 A5692 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.25 CC1(CO)CNC1 M29667 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.25 CC1(CO)COC1 M6652 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.25 CC1(CO)CSC1 M1298 [1,0,0,1,0,0|1,0,0]=3 399 B7R1.25 CC1(CS)COC1 M8472 [1,0,0,1,0,0|1,1,0]=4 400 B7R1.25 NC1(CO)CCC1 A10610 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.25 NC1(CO)CCC1 A13167 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.25 NC1(CO)COC1 A6679 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.25 NCC1(F)CCC1 F19982 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.25 NCC1(O)CCC1 A21927 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.25 OCC1(F)CNC1 F11720 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.25 OCC1(F)COC1 F6264 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.25 OCC1(O)CNC1 B30129 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.25 OCC1(O)COC1 H31091 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|0,1,1]=4 410 B7R1.17 CC1(C)CC[C@@H]1O D60329 [1,0,0,1,0,0|0,1,0]=3 411 B7R1.17 CC1(C)OC[C@@H]1N D59836 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.18 C[C@H](N)C1CCC1 C29990 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.23 OC[C@@H]1CC1(F)F D59953 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.2 CC1CCCC(CO)N1 M13497 [0,0,0,1,0,1|1,0,0]=3 415 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,0,0,1,0,1|2,0,0]=4 416 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,0,0,1,0,1|2,0,0]=4 417 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|0,1,1]=4 420 B9R1.11 CCC(C)C1CCNC1 M69776 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.15 CO[C@@H]1COCC[C@@H]1N M59942 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.15 CO[C@@H]1COCC[C@H]1N A10508 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|0,1,1]=4 430 B9R1.15 CO[C@H]1COCC[C@@H]1N A10509 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.15 CO[C@H]1COCC[C@H]1N A1571 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,1,0,1,0,0|1,1,0]=4 434 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,1,0,1,0,0|1,1,0]=4 435 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,1,0,1,0,0|0,1,0]=3 436 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,1,0,1,0,0|0,1,0]=3 437 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 A66885 [0,1,0,1,0,0|0,1,0]=3 439 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O H40397 [0,1,0,1,0,0|1,1,0]=4 440 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.73 CN(CCN)C1COC1 A28746 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.40 CC1(C)CNCC[C@@H]1O D11693 [0,1,0,1,0,0|1,1,0]=4 443 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|0,1,1]=4 444 B9R1.40 CC1(C)COCC[C@@H]1N D15687 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.40 OC1(O)CCOC[C@@H]1F F12100 [0,1,0,1,0,0|1,1,0]=4 446 B9R2.6 CC12CCNCC1C2 M15531 [0,0,0,2,0,0|2,0,0]=4 447 B9R2.6 CC12CCNCC1C2 M29994 [0,0,0,2,0,0|2,0,0]=4 448 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,2,0,0|2,0,0]=4 449 B9R2.39 FC1CC2CC1CN2 F60141 [0,0,0,2,0,0|2,0,0]=4 450 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,0,0,2,0,0|2,0,0]=4 451 B9R2.39 OC1CC2CC1CN2 A13307 [0,0,0,2,0,0|1,1,0]=4 452 B9R2.39 OC1CC2CC1CN2 A29726 [0,0,0,2,0,0|1,1,0]=4 453 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|1,1,0]=4 454 B9R2.53 OC1C2CNCC1C2 A13735 [0,0,0,2,0,0|1,1,0]=4 455 B9R2.53 OC1C2CNCC1C2 A7297 [0,0,0,2,0,0|1,1,0]=4 456 B9R2.3 C1CC2CNCC2C1 X37040 [0,0,0,2,0,0|2,0,0]=4 457 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 X14333 [0,0,0,2,0,0|2,0,0]=4 458 B9R2.3 C1NCC2COCC12 H10732 [0,0,0,2,0,0|2,0,0]=4 459 B9R2.56 OCC12CNCC1C2 A11517 [0,0,0,2,0,0|2,0,0]=4 460 B9R2.56 OCC12CNCC1C2 A14525 [0,0,0,2,0,0|2,0,0]=4 461 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [0,0,0,2,0,0|2,0,0]=4 462 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [0,0,0,2,0,0|2,0,0]=4 463 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [0,0,0,2,0,0|2,0,0]=4 464 B9R2.140 N[C@H]1CCC12CCC2 S59785 [0,0,0,2,0,0|2,0,0]=4