0 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,0,0,0,0,0|0,0,1]=1 1 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|2,0,0]=3 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 D3007 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.2 CC(C)CB(O)O M4460 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.2 CN(C)CC(=O)Cl D40251 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.3 C=C(Br)C(=O)OC M40168 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 C=C(CBr)C(=O)O B40169 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 C=C(F)C(=O)OC M40171 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.3 CC(C)C(=O)NN I0020 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.3 CC(C)[C@H](N)CO V40442 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.3 CC(C)\C(N)=N\O H39948 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,0,0|0,0,1]=2 31 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CCN(C)C(=O)Cl E40250 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.3 CCN(C)C(C)=O E40404 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.3 CC[C@@H](N)C(N)=O A40305 [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|1,0,1]=3 37 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.3 CN(C)C(=O)CBr B40249 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 CN(C)C(=O)CN A39947 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 CN(C)C(=O)CN A40307 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CN(C)C(=O)CN A61441 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 CN(C)C(=O)CO H40267 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.2 CON(C)C(=O)C(C)C M16724 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.27 C=C(C(=O)O)C(F)(F)F T68006 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,0,0,0,0|0,0,0]=1 83 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,0,0|0,0,2]=3 87 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,0,0,1,0,0|1,0,1]=3 105 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,0,0,1,0,0|0,0,0]=1 107 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|2,0,1]=4 110 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,0,0,0,0,1|2,0,0]=3 111 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,0,0,0,0,1|0,0,2]=3 114 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,0,0,0,0,1|1,0,1]=3 115 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,0,0,0,0,1|1,0,1]=3 116 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,0,0,0,0,1|0,0,2]=3 117 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,0,0,0,0,1|2,0,1]=4 118 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,0,0,0,0,1|2,0,1]=4 119 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,0,0,0,0,1|1,0,1]=3 120 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,0,0,0,0,1|1,0,1]=3 121 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,0,0,0,0,1|1,0,1]=3 122 B8R0.23 CN(C)C(=O)NC(=N)N A65492 [0,0,0,0,0,1|3,0,0]=4 123 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,0,0,0,0,1|2,0,1]=4 124 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 125 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.3 C=CC(=O)NC M37664 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.3 CCC(=N)NO H39883 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|0,0,1]=3 135 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.5 C=C(F)C(=O)O F39831 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.5 CC(=O)C(=O)[O-] C43424 [2,0,0,0,0,0|0,0,1]=3 138 B5R0.5 CC(C)B(O)O P39893 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.5 CC(C)C(=N)N B40303 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.5 CC(C)C(N)=O I4848 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.5 CC(C)C(N)=S M3101 [2,0,0,0,0,0|1,1,0]=4 142 B5R0.5 CC(C)[S@](=O)[O-] S66891 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.5 CC(O)C(=O)[O-] C60888 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.5 C[C@@H](N)C(N)=O A69602 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.5 C[C@@H](O)C(N)=O H68918 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.5 C[C@H](N)C(=O)O A39925 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.5 C[C@H](N)C(=O)O A60902 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.5 O=C(O)C(=O)O A69569 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.5 O=C(O)C(=O)O E39942 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 CC(C=O)=CN(C)C D41498 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|0,0,1]=3 155 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|0,0,1]=3 157 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.9 CC(C)(C)OC(N)=O C10352 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.9 CC(C)(N)CC(=O)O A40410 [1,1,0,0,0,0|0,0,1]=3 166 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [1,1,0,0,0,0|0,0,2]=4 167 B7R0.5 CC(C)C(=O)CC#N M43378 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|0,0,0]=2 173 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.5 CCOC(=O)C(N)=S E15645 [1,1,0,0,0,0|1,1,0]=4 176 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|0,0,2]=4 188 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.10 C=C(CBr)C(=O)OC M36843 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 C=C(CO)C(=O)OC M7022 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.10 CCC(=O)N(C)OC M40411 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.10 COC(=O)C(=O)CBr M2726 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.14 CC(C)(C)C(=O)NN D40427 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.14 CC(C)(O)C(=O)NN H39949 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.14 COC(=O)C(C)(C)F M41271 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.14 COC(=O)C(C)(C)N M67502 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,1,0,0,0,1|1,0,1]=4 214 B9R0.11 CN(C)S(=O)(=O)CC(=O)O D62565 [0,1,0,0,0,1|2,0,0]=4 215 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,1,0,0,0,1|1,0,0]=3 216 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [0,1,0,0,0,1|1,0,1]=4 217 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,1,0,0,0,1|1,0,1]=4 218 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,1,0,0,0,1|0,0,2]=4 219 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,1,0,0,0,1|1,0,1]=4 220 B9R0.39 CC(C)C=C(C#N)C(=O)O C46405 [0,1,0,0,0,1|1,0,0]=3 221 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,1,0,0,0,1|1,0,1]=4 222 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,1,0,0,0,1|1,0,1]=4 223 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,1|1,0,1]=4 224 B9R0.57 CN(O)C(=O)OC(C)(C)C B41593 [0,1,0,0,0,1|2,0,0]=4 225 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C B64149 [0,1,0,0,0,1|1,0,1]=4 226 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C B64150 [0,1,0,0,0,1|1,0,1]=4 227 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,0,0,0,1|0,0,2]=4 228 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.25 COC(=O)C(=O)C(F)(F)F M40067 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C M38468 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.25 COC(=O)[C@H](N)C(C)(C)C M66640 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.25 CON(C)C(=O)C(C)(C)C M43924 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.54 CC(C)C(C(=O)O)C(=O)O P41476 [0,2,0,0,0,0|0,0,1]=3 235 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,1]=4 242 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,1]=3 245 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,1]=3 246 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,1]=3 247 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,1]=3 248 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,1]=3 255 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.4 O=C1CCC=C1Br B3409 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.4 O=C1CCC=C1O H41119 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|0,0,2]=4 270 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|0,0,2]=4 271 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|0,0,2]=4 274 B7R1.19 CC1(C(=O)O)CC1 M10729 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.19 NC1(C(=O)O)CC1 A7850 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.19 O=C(O)C1(Br)CC1 B40170 [1,0,0,1,0,0|1,0,1]=4 277 B7R1.19 O=C(O)C1(F)CC1 F32122 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.19 O=C(O)C1(O)CC1 H13746 [1,0,0,1,0,0|0,0,2]=4 279 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.22 N=C(NO)C1CC1 H38637 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.22 NNC(=O)C1CC1 C7568 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.35 CC(C)C1=NOC(N)=C1 P41431 [0,0,0,1,0,1|2,0,0]=4 283 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,1,0,1|1,0,1]=4 284 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,1,0,1|1,0,1]=4 285 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,1|1,0,1]=4 286 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,1|1,0,1]=4 287 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,0,0,1,0,1|1,0,0]=3 288 B9R1.38 CC1(C)NC(=O)NC1=O D10013 [0,0,0,1,0,1|1,0,0]=3 289 B9R1.38 CC1(C)NC(=S)NC1=O D62361 [0,0,0,1,0,1|1,1,0]=4 290 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,0,0,1,0,1|0,0,0]=2 291 B9R1.55 CN1C[C@@H](C(=O)O)C1=O M60220 [0,0,0,1,0,1|1,0,0]=3 292 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,1,0,1|1,0,0]=3 293 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,0,0,1,0,1|2,0,0]=4 294 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,0,0,1,0,1|2,0,0]=4 295 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,0,0,1,0,1|2,0,0]=4 296 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,0,1,0,1|1,0,1]=4 297 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,0,1,0,1|1,0,1]=4 298 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,0,0,1,0,1|1,0,0]=3 299 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,0,0,1,0,1|1,0,0]=3 300 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,0,0,1,0,1|1,0,1]=4 301 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.101 COC(=O)C(Cl)=C1CC1 M69618 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.101 CON(C)C(=O)C1CC1 M20018 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|0,0,2]=4 318 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|1,0,1]=4 320 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|1,0,1]=4 321 B7R0.6 CC(=O)NNC(C)C P40426 [1,0,0,0,0,1|2,0,0]=4 322 B7R0.6 CC(=O)\C=C\N(C)C D68911 [1,0,0,0,0,1|2,0,0]=4 323 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,1|1,0,1]=4 324 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,0,0,0,0,2|1,0,1]=4 325 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,0,0,0,0,2|1,0,0]=3 326 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,0,0,0,0,2|1,0,1]=4 327 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,0,0,0,0,2|1,0,1]=4