0 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(C)C(N)C(C)C D46525 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.2 CC(C)CB(O)O M4460 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CN(C)CC(=O)Cl D40251 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|0,0,1]=2 19 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|0,0,1]=2 23 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.3 C=C(CBr)C(=O)O B40169 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(C)[C@H](N)CO V40442 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.3 CC(C)\C(N)=N\O H39948 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.3 CCN(C)C(=O)Cl E40250 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.3 CCN(C)C(C)=O E40404 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CC[C@H](C)B(O)O B39967 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,0,0,0,0,0|0,0,0]=1 37 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [1,0,0,0,0,0|0,0,1]=2 46 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [1,0,0,0,0,0|0,0,1]=2 48 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,0,0,0,0,0|0,1,0]=2 53 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,0,0,0,0,0|0,1,0]=2 56 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,0,0,0,0,0|0,1,0]=2 57 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,0,0,0,0,0|0,1,0]=2 58 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,0,0,0,0,0|1,0,0]=2 60 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,1,0,0,0,0|0,0,0]=1 69 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,1,0,0,0,0|0,0,0]=1 71 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,1,0,0,0,0|0,0,0]=1 76 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,0,0|0,1,0]=2 83 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,0,0|0,1,0]=2 84 B8R0.27 C[C@H](C(=O)O)C(F)(F)F T40172 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.37 CC(C)(C(=O)O)C(=O)O D67941 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.37 O=C(O)C(F)(F)C(=O)O D20167 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.37 O=C(O)C(O)(O)C(=O)O D36751 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,1,0,0|1,0,0]=2 102 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,0,0,1,0,0|1,0,0]=2 103 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,0,0,1,0,0|3,0,0]=4 110 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,0,0,0,0,1|1,0,2]=4 111 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,0,0,0,0,1|1,0,2]=4 112 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,0,0,0,0,1|1,0,2]=4 113 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,0,0,0,0,1|1,0,2]=4 114 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,0,0,0,0,1|1,0,0]=2 115 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,0,0,0,0,1|2,0,0]=3 116 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,0,0,0,0,1|2,0,0]=3 117 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,0,0,0,0,1|2,0,0]=3 118 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,0,0,0,0,1|2,0,0]=3 119 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,0,0,0,0,1|1,0,0]=2 120 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,0,0,0,0,1|1,0,0]=2 121 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,0,0,0,0,1|1,0,0]=2 122 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,0,0,0,0,1|2,0,1]=4 123 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,0,0,0,0,1|0,0,0]=1 124 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,0,0,0,0,1|1,0,1]=3 125 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,0,0,0,0,1|1,0,2]=4 126 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,0,0,0,0,1|2,0,0]=3 127 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 128 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 130 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|0,0,1]=3 142 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 O=[N+]([O-])CCO N39779 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.3 C=C[C@H](N)CO A40343 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|0,0,1]=3 150 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|0,0,1]=3 152 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.3 O=C[C@H](O)CO D39873 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.5 CC(C)C(N)=O I4848 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.5 CC(O)C(=O)[O-] C60888 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.5 CN(N)C(N)=O M1991 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.5 C[C@@H](N)C(N)=O A69602 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.5 C[C@@H](O)C(N)=O H68918 [2,0,0,0,0,0|0,0,1]=3 160 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.5 C[C@H](N)C(=O)O A39925 [2,0,0,0,0,0|0,0,0]=2 162 B5R0.5 C[C@H](N)C(=O)O A60902 [2,0,0,0,0,0|0,0,0]=2 163 B5R0.5 C[C@H](O)[C@H](C)O B39958 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.5 O=C(O)C(=O)O A69569 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.5 O=C(O)C(=O)O E39942 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|0,0,0]=2 173 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|0,0,0]=2 174 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.9 CC(C)(N)CC(=O)O A40410 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.9 O=C(O)CC(F)(F)F T39832 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,1,0,0,0,0|0,0,1]=3 182 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,1,0,0,0,0|0,0,1]=3 183 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,1,0,0,0,0|0,0,1]=3 184 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,1,0,0,0,0|0,0,1]=3 185 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,1,0,0,0,0|0,0,1]=3 186 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,1,0,0,0,0|0,0,1]=3 187 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|0,0,0]=2 189 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|0,0,0]=2 193 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|0,0,0]=2 194 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|0,0,0]=2 196 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|0,0,0]=2 198 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|0,0,0]=2 200 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|0,0,0]=2 201 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,1,0,0,0,0|0,0,0]=2 203 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|0,0,0]=2 205 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|0,0,0]=2 206 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|0,0,0]=2 207 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|0,0,0]=2 208 B7R0.10 C=C(CO)C(=O)OC M7022 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|0,0,0]=2 215 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.10 COC(=O)[C@@H](F)CO M60918 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.10 COC(=O)[C@@H](N)CO M68693 [1,1,0,0,0,0|0,0,0]=2 222 B7R0.10 COC(=O)[C@@H](N)CO S64541 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.10 COC(=O)[C@@H](O)CN M61501 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.10 COC(=O)[C@@H](O)CO M40259 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.10 COC(=O)[C@H](N)CCl M69012 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.10 COC(=O)[C@H](N)CS M69349 [1,1,0,0,0,0|0,1,0]=3 228 B7R0.10 COC(=O)[C@H](O)CO M40258 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.13 CC(C)(CF)C(=O)O F41272 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.13 CC(C)(CO)C(=O)O H68365 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [1,1,0,0,0,0|0,0,0]=2 234 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [1,1,0,0,0,0|0,0,0]=2 235 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [1,1,0,0,0,0|0,0,0]=2 236 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.13 NCC(F)(F)C(=O)O A62796 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.13 NCC(F)(F)C(=O)O A67336 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.15 CCC(CC)C(=O)[O-] M43580 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.15 O=C(O)C(CBr)CBr B40213 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.15 O=C(O)C(CS)CS M67176 [1,1,0,0,0,0|1,1,0]=4 244 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F A63843 [0,1,0,0,0,1|2,0,0]=4 245 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,1,0,0,0,1|1,0,0]=3 246 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,1,0,0,0,1|0,0,2]=4 247 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,1,0,0,0,1|1,0,0]=3 248 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,1,0,0,0,1|2,0,0]=4 249 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,1,0,0,0,1|1,0,0]=3 250 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,1,0,0,0,1|1,0,0]=3 251 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,1,0,0,0,1|1,0,0]=3 252 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,1,0,0,0,1|0,0,2]=4 253 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,1,0,0,0,1|0,0,2]=4 254 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,1|1,0,0]=3 255 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,0,0,0,1|1,0,0]=3 256 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,2,0,0,0,0|0,0,2]=4 257 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,2,0,0,0,0|0,0,0]=2 258 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C L66830 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C M38468 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.25 COC(=O)[C@@H](N)C(F)(F)F M32350 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.25 COC(=O)[C@H](N)C(C)(C)C M66640 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.27 COC(=O)C(N)C(=O)OC D41379 [0,2,0,0,0,0|0,0,2]=4 264 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO T40398 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO R38418 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.54 CC(C)C(C(=O)O)C(=O)O P41476 [0,2,0,0,0,0|2,0,0]=4 267 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.2 O=C1CC(O)=CO1 H1405 [1,0,0,1,0,0|0,0,2]=4 278 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|1,1,0]=4 281 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.2 OC1CCC(O)C1 C24450 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,0,0,1,0,0|1,0,1]=4 286 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.16 O=S1(=O)CC(O)C1 H39874 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.4 NC1CCCC1O A40401 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.4 NC1COCC1O A32163 [1,0,0,1,0,0|0,0,1]=3 305 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|1,0,0]=3 311 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|0,0,0]=2 313 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [1,0,0,1,0,0|0,0,1]=3 317 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [1,0,0,1,0,0|0,0,1]=3 318 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [1,0,0,1,0,0|0,0,1]=3 319 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|0,0,0]=2 323 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|0,0,0]=2 324 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [1,0,0,1,0,0|0,0,1]=3 327 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.4 O[C@H]1COC[C@H]1O A10821 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.17 CC1(C)OC[C@@H]1N D59836 [1,0,0,1,0,0|1,0,1]=4 334 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|0,0,0]=2 340 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|0,0,0]=2 341 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|0,0,0]=2 344 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|0,0,0]=2 345 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.19 CC1(C(=O)O)CC1 M10729 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.19 CC1(C(N)=O)CC1 M41258 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.19 NC(=O)C1(N)CC1 A29804 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.19 NC1(C(=O)O)CC1 A7850 [1,0,0,1,0,0|0,0,0]=2 351 B7R1.19 O=C(O)C1(Br)CC1 B40170 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.19 O=C(O)C1(F)CC1 F32122 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.19 O=C(O)C1(O)CC1 H13746 [1,0,0,1,0,0|1,0,0]=3 354 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,1,0,1|2,0,0]=4 355 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,1,0,1|2,0,0]=4 356 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,1|2,0,0]=4 357 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,1|2,0,0]=4 358 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,0,0,1,0,1|2,0,0]=4 359 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,1|2,0,0]=4 360 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,1|2,0,0]=4 361 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,1|2,0,0]=4 362 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,1|2,0,0]=4 363 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,1|2,0,0]=4 364 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,1|2,0,0]=4 365 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,1,0,1|1,0,0]=3 366 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,1,0,1|1,0,0]=3 367 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,1|2,0,0]=4 368 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,1|2,0,0]=4 369 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,1,0,1|1,0,0]=3 370 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,1|1,0,0]=3 371 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,1,0,1|1,0,0]=3 372 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,1,0,1|1,0,0]=3 373 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,1|0,0,0]=2 374 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,1|0,0,0]=2 375 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,1,0,1|0,1,0]=3 376 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,1,0,1|1,0,0]=3 377 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,1,0,1|1,0,0]=3 378 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,1|0,0,0]=2 379 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,1,0,1|0,1,0]=3 380 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,1,0,1|1,0,0]=3 381 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,1,0,1|1,0,0]=3 382 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,1|0,0,0]=2 383 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,1|0,0,0]=2 384 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,1,0,1|1,0,0]=3 385 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,1,0,1|1,0,0]=3 386 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,1|0,0,0]=2 387 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,1|0,0,2]=4 388 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [0,0,0,1,0,1|2,0,0]=4 391 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [0,0,0,1,0,1|2,0,0]=4 392 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [0,0,0,1,0,1|2,0,0]=4 393 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [0,0,0,1,0,1|1,0,0]=3 394 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [0,0,0,1,0,1|1,0,0]=3 395 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [0,0,0,1,0,1|1,0,0]=3 397 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,0,0,1,0,1|2,0,0]=4 400 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,0,0,1,0,1|2,0,0]=4 401 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,0,0,1,0,1|2,0,0]=4 403 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,0,0,1,0,1|1,0,0]=3 404 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,0,0,1,0,1|1,0,1]=4 405 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,1,0,0|0,0,0]=2 407 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,1,0,0|0,0,0]=2 408 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,1,0,0|0,0,0]=2 409 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,1,0,0|0,0,0]=2 410 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,1,0,0|0,0,0]=2 411 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,1,0,0|0,0,0]=2 412 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,1,0,0|0,0,0]=2 413 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,1,0,0|0,0,0]=2 414 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,1,0,0|0,0,0]=2 415 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,1,0,1,0,0|0,0,0]=2 423 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,1,0,1,0,0|0,0,0]=2 427 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,1,0,1,0,0|0,0,0]=2 430 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,1,0,1,0,0|2,0,0]=4 434 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|2,0,0]=4 435 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,1|2,0,0]=4 436 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,0,0,0,0,1|1,0,1]=4 437 B7R0.6 O=C(O)CCC(F)F D59737 [1,0,0,0,0,1|2,0,0]=4 438 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,0,0,0,0,2|0,0,2]=4 439 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,0,0,0,0,2|1,0,0]=3 440 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,0,0,0,0,2|1,0,1]=4 441 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,0,0,0,0,2|1,0,0]=3 442 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,0,0,0,0,2|1,0,0]=3