0 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.2 COC(=O)CC(=O)O M37882 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [1,0,0,0,0,0|0,0,1]=2 40 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.16 CC(C)C(N)C(C)C D46525 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,0,0,0,0,0|1,0,0]=2 50 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.27 COC(=O)C(N)C(=O)OC D41379 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,0,0,0,0|1,0,0]=2 54 B9R1.3 CC1CCCC(O)C1C D47156 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,0,0,1,0,0|1,0,0]=2 65 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,0,0,1,0,0|1,0,0]=2 67 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,0,0,1,0,0|0,0,0]=1 73 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,0,0,1,0,0|0,0,0]=1 76 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,0,0,1,0,0|0,0,0]=1 78 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,0,0,1,0,0|0,0,0]=1 79 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,0,0,1,0,0|0,0,0]=1 82 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,0,0,1,0,0|0,0,0]=1 83 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,0,0,1,0,0|1,0,0]=2 84 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,0,0,0,0,1|2,0,1]=4 85 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,0,0,0,0,1|2,0,1]=4 86 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,0,0,0,0,1|2,0,1]=4 87 B6R0.1 CCC[C@H](N)CO A40443 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.1 CCC[C@H](N)CO A66421 [2,0,0,0,0,0|0,0,1]=3 89 B6R0.1 CO[C@@H](C)CCO M68623 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.2 CC(=O)NC(C)C P40402 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.2 CC(C)CB(O)O M4460 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.2 CN(C)CC(=O)Cl D40251 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.2 C[C@@H](N)CC(=O)O A37837 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.2 C[C@@H](N)CC(=O)O A40348 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.2 C[C@H](N)CC(=O)O A40265 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.2 C[C@H](O)CC(=O)O H38871 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,1]=3 104 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.3 C=C[C@H](N)C(=O)O A40334 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.3 CC(C)[C@@H](N)CO V15808 [2,0,0,0,0,0|0,0,1]=3 113 B6R0.3 CC(C)[C@H](N)CO V40442 [2,0,0,0,0,0|0,0,1]=3 114 B6R0.3 CC(C)\C(N)=N\O H39948 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.3 CC[C@@H](C)C(=O)O M40381 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 CC[C@@H](N)C(N)=O A40305 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.3 CC[C@H](C)B(O)O B39967 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 CC[C@H](N)C(=O)O A40349 [2,0,0,0,0,0|0,0,0]=2 119 B6R0.3 CC[C@H](N)C(=O)O A68376 [2,0,0,0,0,0|0,0,0]=2 120 B6R0.3 CC[C@H](N)C(N)=O A64477 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.3 CC[C@H](O)C(=O)O H23105 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.3 CN[C@@H](C)C(=O)O M68914 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.3 CN[C@H](C)C(=O)O M63076 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.3 CO[C@@H](C)C(=O)O M11053 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.3 CO[C@@H](C)C(=O)O M69861 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.3 CO[C@H](C)C(=O)O M8894 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.3 C[C@H](CN)C(=O)O A40352 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.3 NC(=O)[C@H](N)CO A39930 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 NC[C@@H](O)C(=O)O A39878 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.3 NC[C@H](N)C(=O)O D39929 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 NC[C@H](O)C(=O)O S39877 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.3 N[C@@H](CS)C(=O)O A39926 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 N[C@H](CCl)C(=O)O A39869 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 N[C@H](CCl)C(=O)O A63558 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.3 N[C@H](CS)C(=O)O A37860 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.3 N[C@H](CS)C(=O)O C67456 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.3 N[C@H](CS)C(=O)O C69203 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.3 O=C(O)[C@@H](O)CO D38851 [2,0,0,0,0,0|2,0,0]=4 142 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.16 COC(CC(C)=O)OC D39203 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.34 CC(C)(CN)CC(=O)O A60787 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.34 CC(C)(CN)CC(=O)O A67050 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [1,1,0,0,0,0|0,0,1]=3 163 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [1,1,0,0,0,0|0,0,1]=3 164 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,1,0,0,0,0|0,0,0]=2 167 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [1,1,0,0,0,0|0,0,0]=2 168 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [1,1,0,0,0,0|1,0,0]=3 175 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [1,1,0,0,0,0|0,0,0]=2 177 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [1,1,0,0,0,0|0,0,0]=2 178 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [1,1,0,0,0,0|0,0,0]=2 179 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [1,1,0,0,0,0|0,0,0]=2 180 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [1,1,0,0,0,0|0,0,0]=2 181 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [1,1,0,0,0,0|1,0,0]=3 182 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC M49587 [0,2,0,0,0,0|0,0,0]=2 183 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [1,0,0,1,0,0|0,0,2]=4 184 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [1,0,0,1,0,0|0,0,2]=4 185 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.31 O=C(O)C1CCC1F F59749 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.34 O=C(O)C=C1CCC1 C10691 [1,0,0,1,0,0|0,0,2]=4 222 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|0,0,0]=2 223 B8R1.34 O=C(O)CC1CNC1 A10213 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.34 O=C(O)CC1COC1 X6649 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.43 N#CC1CC1C(=O)O C24298 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.62 CC1(CO)CC(=O)C1 H20258 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,1,0,0|0,0,2]=4 255 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,1,0,0|0,0,2]=4 256 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|0,0,0]=2 257 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.23 CC1CC(C(=O)O)C1 M14949 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.23 CN1CC(C(=O)O)C1 M0190 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [1,0,0,1,0,0|1,0,0]=3 275 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.23 NC1CC(C(=O)O)C1 A12181 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.23 O=C(O)C1CC(F)C1 F0317 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.23 O=C(O)C1CC(O)C1 H12369 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [1,0,0,1,0,0|0,0,2]=4 291 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [1,0,0,1,0,0|0,0,0]=2 292 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [1,0,0,1,0,0|0,0,0]=2 293 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.78 CC1(C(=O)O)CCC1 M11732 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.78 CC1(C(=O)O)CNC1 M29556 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.78 CC1(C(=O)O)COC1 M6214 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.78 NC1(C(=O)O)CCC1 A10609 [1,0,0,1,0,0|0,0,0]=2 298 B8R1.78 NC1(C(=O)O)CCC1 A26979 [1,0,0,1,0,0|0,0,0]=2 299 B8R1.78 NC1(C(=O)O)CNC1 A6058 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.78 NC1(C(=O)O)COC1 A5828 [1,0,0,1,0,0|1,0,0]=3 301 B8R1.78 O=C(O)C1(F)CNC1 F11481 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.78 O=C(O)C1(O)COC1 H60052 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [1,0,0,1,0,0|2,0,0]=4 306 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,0,0,1,0,1|2,0,0]=4 307 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,0,0,1,0,1|2,0,0]=4 308 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,0,0,1,0,1|1,0,0]=3 309 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,0,0,1,0,1|2,0,0]=4 310 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,0,0,1,0,1|0,0,0]=2 311 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,0,0,1,0,1|2,0,0]=4 312 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,0,0,1,0,1|2,0,0]=4 313 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,0,0,1,0,1|2,0,0]=4 314 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,0,0,1,0,1|2,0,0]=4 315 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,0,0,1,0,1|2,0,0]=4 316 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,0,0,1,0,1|2,0,0]=4 317 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,0,0,1,0,1|2,0,0]=4 318 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,0,0,1,0,1|2,0,0]=4 319 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,0,0,1,0,1|2,0,0]=4 320 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,0,0,1,0,1|2,0,0]=4 321 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,0,0,1,0,1|2,0,0]=4 322 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,0,0,1,0,1|1,0,0]=3 323 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,0,0,1,0,1|2,0,0]=4 324 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,0,0,1,0,1|1,0,0]=3 325 B10R1.204 N[C@@H](CC1CCC1)C(=O)O A64838 [0,0,0,1,0,1|0,0,0]=2 326 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 A43846 [0,1,0,1,0,0|0,0,0]=2 327 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A43844 [0,1,0,1,0,0|0,0,0]=2 328 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A68051 [0,1,0,1,0,0|0,0,0]=2 329 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 B24122 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O D65711 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@@H]1O D41236 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.61 CC1NCCCC1C(=O)O M46488 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [0,1,0,1,0,0|0,0,0]=2 339 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.86 O=C(O)[C@@H]1CCN1CCF A30114 [0,1,0,1,0,0|2,0,0]=4 341 B10R1.495 CC1([C@H](N)C(=O)O)COC1 A20975 [0,1,0,1,0,0|0,0,0]=2 342 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O M27104 [0,1,0,1,0,0|1,0,0]=3 344 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O M30155 [0,1,0,1,0,0|1,0,0]=3 345 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O M15055 [0,1,0,1,0,0|1,0,0]=3 348 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M13329 [0,1,0,1,0,0|1,0,0]=3 349 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M15059 [0,1,0,1,0,0|1,0,0]=3 350 B10R1.182 COC(=O)C(N)C1COC1 M6273 [0,1,0,1,0,0|1,0,0]=3 351 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O A30112 [0,1,0,1,0,0|0,0,0]=2 352 B10R1.83 CC1(C)C(N)CC1C(=O)O A15243 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N A60251 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O A15244 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O A6050 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O D46493 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,1,0,1,0,0|2,0,0]=4 358 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,2,0,0|1,0,0]=3 359 B10R2.344 O=C(O)C12CNCC1C2 A11245 [0,0,0,2,0,0|2,0,0]=4 360 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [0,0,0,2,0,0|0,0,0]=2 361 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,2,0,0|0,0,0]=2 362 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,2,0,0|0,0,0]=2 363 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,2,0,0|0,0,0]=2 364 B10R2.358 O=C(O)[C@H]1CCC12CC2 S59639 [0,0,0,2,0,0|1,0,0]=3 365 B10R2.638 O=C(O)[C@H]1CC12CCC2 S21784 [0,0,0,2,0,0|1,0,0]=3