0 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-41202 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-44698 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 NC(C)CC(C)CC PI-36995 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,0,0,0,0|0,0,0]=1 26 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.10 CCC(C(C)CO)S PI-48470 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [1,0,0,0,0,0|0,0,1]=2 41 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [1,0,0,0,0,0|0,0,0]=1 58 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [1,0,0,0,0,0|1,0,0]=2 59 B9R0.27 CCC(=O)C(C(=O)OC)F PI-36598 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.27 COC(=O)C(C(=O)OC)N PI-18228 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.27 OC[C@@H]([C@H](C(=O)CO)O)O PI-39160 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,0,0,1,0,0|0,0,0]=1 68 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,0,0,1,0,0|0,0,0]=1 69 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,0,0,1,0,0|0,0,0]=1 70 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,0,0,0,0,1|0,0,0]=1 71 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,0,0,0,0,1|2,0,1]=4 72 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [0,0,0,0,0,1|2,0,1]=4 73 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [0,0,0,0,0,1|2,0,1]=4 74 B6R0.1 CC(CC=O)SC PI-48524 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.1 CCCC(C=C)O PI-15324 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CCCC(CO)O PI-13556 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.1 C[C@@H](CCO)CO PI-48285 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.2 CC(=CC(=O)O)C PI-42632 [2,0,0,0,0,0|0,0,2]=4 79 B6R0.2 CC(C)CB(O)O PI-37377 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [2,0,0,0,0,0|0,0,1]=3 81 B6R0.2 CC(CC(=O)O)N PI-35438 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.2 CC(CC(=O)O)N PI-35481 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.2 CC(CC(=O)O)N PI-43821 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.2 CC(CC(=O)O)O PI-47070 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.2 CN(C)CC(=O)O PI-15416 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 B(CCCC)(O)O PI-16470 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.4 C#CCCC(=O)O PI-30018 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.4 C(CC(=O)O)C#N PI-35487 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.4 CC=CCC(=O)O PI-47130 [2,0,0,0,0,0|0,0,2]=4 93 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|0,0,1]=3 94 B6R0.4 CCCCC(C)O PI-42555 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.4 CCCC[C@@H](C)O PI-49839 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCNC(=O)N PI-19783 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CCNCC(=O)O PI-43211 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 C(C(C(=O)O)N)N PI-31828 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 C(C(C(=O)O)N)N PI-35715 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.3 C(C(C(=O)O)N)N PI-35737 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.3 C(C(C(=O)O)N)S PI-15750 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.3 C(C(C(=O)O)O)N PI-12867 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 CC(C(=O)O)NC PI-27549 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 CC(C(=O)O)NC PI-27557 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 CCC(C(=O)C)S PI-48501 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 CCC(C(=O)N)N PI-10559 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 CCC(C(=O)O)N PI-28320 [2,0,0,0,0,0|0,0,0]=2 116 B6R0.3 CCC(C(=O)O)N PI-43844 [2,0,0,0,0,0|0,0,0]=2 117 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [2,0,0,0,0,0|0,0,0]=2 119 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.3 NC(C(=O)O)CN PI-10165 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.3 NC(C(=O)O)CN PI-35820 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.3 NC(CO)C(O)=O PI-35846 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.3 NC(CS)C(=O)O PI-15748 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.3 NCC(C(=O)O)O PI-38395 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.3 O=C(O)C(C)CN PI-42145 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.3 OC[C@H](C(C)C)N PI-16477 [2,0,0,0,0,0|0,0,1]=3 131 B6R0.3 OC[C@H](N)C(C)C PI-14330 [2,0,0,0,0,0|0,0,1]=3 132 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.19 CCC(CC(=O)OC)O PI-42251 [1,1,0,0,0,0|1,0,0]=3 141 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.19 COC(=O)CC(CCl)O PI-24655 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,1,0,0,0,0|0,0,0]=2 155 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,1,0,0,0,0|0,0,0]=2 161 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [1,1,0,0,0,0|0,0,2]=4 162 B8R0.15 CCCC(C(=O)O)NC PI-43602 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.15 CCCC(C(=O)O)NC PI-43851 [1,1,0,0,0,0|0,0,0]=2 164 B8R0.15 CCCC(CC)C(=O)O PI-50173 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [1,1,0,0,0,0|0,0,0]=2 167 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [1,1,0,0,0,0|0,0,0]=2 168 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.27 NC(C(F)(F)F)C(=O)O PI-18261 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [1,1,0,0,0,0|0,0,0]=2 176 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [1,1,0,0,0,0|0,0,0]=2 177 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [1,1,0,0,0,0|0,0,0]=2 179 B10R0.26 CCCS(=O)CC(C(=O)O)N PI-48456 [0,1,0,0,0,1|2,0,0]=4 180 B10R0.35 CCC(C)C(C(=O)OCC)N PI-45797 [0,2,0,0,0,0|0,0,0]=2 181 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC PI-33217 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.1 CCC1COC(=O)O1 PI-50185 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.4 CC1CCCC(=O)N1 PI-35204 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.4 O=C1CCOC(C1)C PI-40554 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.4 O=C1NCCC(O)C1 PI-37263 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.4 O=C1NCCN(C)C1 PI-41916 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 C1CCC(C(C1)N)O PI-30701 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.5 C1CCC(C(C1)N)O PI-35193 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.5 C1CCC(C(C1)N)O PI-35194 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.5 NC1CCCCC1O PI-17286 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.5 O=C1NCCCC1O PI-41426 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|0,0,0]=2 199 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|0,0,0]=2 213 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,1,0,0|0,0,2]=4 214 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [1,0,0,1,0,0|0,0,0]=2 217 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [1,0,0,1,0,0|0,0,0]=2 218 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [1,0,0,1,0,0|0,0,0]=2 220 B8R1.78 OC(=O)C1(C)COC1 PI-38279 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [1,0,0,1,0,0|0,0,0]=2 222 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,0,0,1,0,1|0,0,0]=2 226 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-18401 [0,1,0,1,0,0|0,0,0]=2 227 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-43694 [0,1,0,1,0,0|0,0,0]=2 228 B10R1.23 OC(=O)C(N)C1COCC1 PI-36243 [0,1,0,1,0,0|0,0,0]=2 229 B10R1.34 O=C1O[C@@H](CO)[C@@H](O)[C@H]1O PI-40636 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.34 OC[C@H]1OC(=O)[C@@H]([C@@H]1O)O PI-38712 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.61 CN1CCNCC1C(=O)O PI-35986 [0,1,0,1,0,0|1,0,0]=3 233 B10R1.149 COC(=O)C1CNCC1C PI-36282 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.128 CC1(CCNC1C(=O)O)C PI-48195 [0,1,0,1,0,0|0,0,0]=2 235 B10R1.128 CC1(CNCC1C(=O)O)C PI-25395 [0,1,0,1,0,0|2,0,0]=4 236 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,0,0,0,0,1|0,0,0]=2