0 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.2 CC(=CC(=O)O)C PI-42632 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.2 CC(C)CB(O)O PI-37377 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,0,0,0,0,0|0,0,1]=2 23 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [1,0,0,0,0,0|1,2,0]=4 24 B6R0.2 CC(CC(=O)O)N PI-35438 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.2 CC(CC(=O)O)N PI-35481 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.2 CC(CC(=O)O)N PI-43821 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.2 CC(CC(=O)O)O PI-47070 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.2 CN(C)CC(=O)O PI-15416 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 CN(C)CC(=S)N PI-12763 [1,0,0,0,0,0|2,1,0]=4 32 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 CC(C(=O)O)NC PI-27549 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CC(C(=O)O)NC PI-27557 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.3 CCC(C(=O)C)S PI-48501 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.3 CCC(C(=O)N)N PI-10559 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CCC(C(=O)O)N PI-28320 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.3 CCC(C(=O)O)N PI-43844 [1,0,0,0,0,0|0,0,0]=1 50 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,0,0,0,0,0|0,0,0]=1 52 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 NC(C(=O)O)CN PI-10165 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.3 NC(C(=O)O)CN PI-35820 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.3 NC(CO)C(O)=O PI-35846 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.3 NC(CS)C(=O)O PI-15748 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.3 NCC(C(=O)O)O PI-38395 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.3 O=C(O)C(C)CN PI-42145 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.3 OC[C@H](C(C)C)N PI-16477 [1,0,0,0,0,0|0,0,1]=2 66 B6R0.3 OC[C@H](N)C(C)C PI-14330 [1,0,0,0,0,0|0,0,1]=2 67 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-41202 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-44698 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.2 CC(C(C(=O)NO)N)O PI-27523 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,1,0,0,0,0|0,0,0]=1 74 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.2 CC(C(C(C=O)O)O)O PI-40087 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.2 CC(C(C(C=O)O)O)O PI-40621 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,1,0,0,0,0|0,0,0]=1 83 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.27 CC(C)C(N)C(F)(F)F PI-40171 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.27 NC(C(F)(F)F)C(=O)O PI-18261 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,1,0,0,0,0|0,0,0]=1 100 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,1,0,0,0,0|0,0,0]=1 101 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,1,0,0,0,0|0,0,0]=1 103 B8R0.37 C(C(C(=O)O)(F)F)(F)F PI-24606 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,1,0,0,0,0|0,0,0]=1 106 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,0,0,1,0,0|0,0,0]=1 108 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,0,0,1,0,0|0,0,0]=1 109 B8R1.77 C1C(C1(F)F)C(=O)O PI-43181 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,0,0,1,0,0|2,0,0]=3 111 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,0,0,0,0,1|1,0,2]=4 114 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,0,0,0,0,1|1,0,2]=4 115 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,0,0,0,0,1|1,0,0]=2 116 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,0,0,0,1|0,0,0]=1 117 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,0,0,0,0,1|1,0,0]=2 118 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,0,0,0,1|0,0,0]=1 119 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,0,0,0,0,1|0,0,0]=1 120 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,0,0,0,0,1|2,0,1]=4 121 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,0,0,0,1|1,0,0]=2 122 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,0,0,0,1|0,0,0]=1 123 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,0,0,0,1|2,0,1]=4 124 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,0,0,0,1|2,0,0]=3 125 B5R0.1 B(CCC)(O)O PI-35885 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CC#CC(=O)O PI-12861 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 CC(CCO)N PI-34839 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CC(CCO)N PI-35494 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 CC(CCO)O PI-15618 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 C[C@H](CCO)N PI-35493 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 C\C=C\C(=O)O PI-48966 [2,0,0,0,0,0|0,0,2]=4 142 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|1,0,0]=3 144 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.1 O=C=NC(C)C PI-11403 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.1 OC(CON)=O PI-37190 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 OCC[C@H](O)C PI-15617 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.3 C(C(C=O)O)O PI-14881 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 C(C(CO)N)O PI-16192 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.3 C=C[C@H](CO)N PI-48191 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.3 CCC(=C)C=O PI-44654 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.3 CCC(CO)N PI-45910 [2,0,0,0,0,0|0,0,1]=3 154 B5R0.3 N[C@H](CO)C=C PI-36414 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.3 O=C[C@@H](O)CO PI-14882 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.3 OCC(CO)N PI-10243 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.5 C(C(=O)O)(F)F PI-21386 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.5 C(C(=O)O)(N)O PI-48421 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.5 CC(C(=O)C)Br PI-35002 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.5 CC(C(=O)C)S PI-48502 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.5 CC(C(=O)N)C PI-28643 [2,0,0,0,0,0|0,0,1]=3 165 B5R0.5 CC(C(=O)N)N PI-16292 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(C(=O)N)N PI-42205 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(C(=O)O)Br PI-47030 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(C(=O)O)Cl PI-28351 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.5 CC(C(=O)O)F PI-40363 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.5 CC(C(=O)[O-])O PI-14769 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.5 CC(C(C)S)O PI-13701 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.5 CC(C(C)S)O PI-48503 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.5 CN(C)C(=O)N PI-50675 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [2,0,0,0,0,0|0,0,0]=2 175 B5R0.5 C[C@H](C(=O)O)O PI-36770 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [2,0,0,0,0,0|0,0,0]=2 177 B5R0.5 OC(=O)C(=O)C PI-15477 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,1,0,0,0,0|0,0,2]=4 180 B7R0.2 CC(C)CC(CO)N PI-35868 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 CC(C)NC(=O)NN PI-50450 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.2 CN(C)CC(=O)NN PI-50370 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.9 C(C(=O)O)C(F)(F)F PI-39059 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [1,1,0,0,0,0|0,1,0]=3 206 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [1,1,0,0,0,0|0,0,0]=2 207 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,1,0,0,0,0|0,0,1]=3 209 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,1,0,0,0,0|0,0,1]=3 210 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,1,0,0,0,0|0,0,0]=2 219 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.5 COCC(C(=O)O)N PI-14934 [1,1,0,0,0,0|0,0,0]=2 221 B7R0.5 COCC(C(=O)O)N PI-14935 [1,1,0,0,0,0|0,0,0]=2 222 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,1,0,0,0,0|0,0,1]=3 224 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,1,0,0,0,0|0,0,0]=2 227 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,1,0,0,0,0|0,0,0]=2 230 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,1,0,0,0,0|0,0,0]=2 231 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,1,0,0,0,0|0,0,0]=2 232 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|0,0,0]=2 237 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [1,1,0,0,0,0|0,0,1]=3 239 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|0,0,0]=2 240 B7R0.10 COC(=O)C(CCl)N PI-28403 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.10 COC(=O)C(CCl)N PI-39772 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.10 COC(=O)C(CCl)N PI-41755 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.10 COC(=O)C(CO)N PI-11634 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.10 COC(=O)C(CO)O PI-42716 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.10 COC(=O)C(CS)N PI-15751 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.13 CC(C)(CCl)C(=O)O PI-47089 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.13 CC(CS)(C(=O)O)N PI-35158 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.13 C[C@](N)(CS)C(=O)O PI-35159 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.13 OC[C@@](C(=O)O)(N)C PI-14964 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.14 CC(C)(C)C(CO)N PI-47156 [1,1,0,0,0,0|0,0,1]=3 262 B7R0.15 BrCC(CBr)C(=O)O PI-10928 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.15 CNC(CO)C(=O)O PI-43688 [1,1,0,0,0,0|1,0,0]=3 265 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,1,0,0,0,1|0,0,0]=2 266 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,1,0,0,0,1|0,0,0]=2 267 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,1,0,0,0,1|1,0,1]=4 268 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,1,0,0,0,1|0,0,0]=2 269 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,0,0,0,1|0,0,0]=2 270 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,1,0,0,0,1|1,0,1]=4 271 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [0,1,0,0,0,1|1,0,1]=4 272 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [0,1,0,0,0,1|1,0,1]=4 273 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [0,2,0,0,0,0|1,0,0]=3 274 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [0,2,0,0,0,0|0,0,0]=2 275 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.25 CC(C)(C)C(C(=O)OC)N PI-38673 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.25 COC(=O)C(N)C(F)(F)F PI-18426 [0,2,0,0,0,0|2,0,0]=4 278 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C PI-26818 [0,2,0,0,0,0|0,0,0]=2 279 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,2,0,0,0,0|0,0,0]=2 280 B9R0.27 COC(=O)C(C(=O)OC)N PI-18228 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.27 OC[C@@H]([C@H](C(=O)CO)O)O PI-39160 [0,2,0,0,0,0|2,0,0]=4 282 B9R0.29 CC(C)C(C(=O)OC)NC PI-43750 [0,2,0,0,0,0|0,0,0]=2 283 B9R0.33 CC(C)C(C(=O)O)NC=O PI-33236 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.54 CC(C)C(C(=O)O)C(=O)O PI-19752 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.76 OCC(C(=O)O)(C(C)C)N PI-26889 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.80 CC(C(=O)O)(C(F)(F)F)N PI-49276 [0,2,0,0,0,0|2,0,0]=4 287 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|0,0,0]=2 304 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.4 C1C(C(=O)NO1)N PI-16473 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|0,0,0]=2 310 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.4 NC1CONC1=O PI-38463 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|0,0,0]=2 315 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|0,0,0]=2 323 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|0,0,0]=2 325 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|0,0,0]=2 326 B7R1.19 NC1(CC1)C(O)=O PI-17131 [1,0,0,1,0,0|0,0,0]=2 327 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.19 OC(=O)C1(F)CC1 PI-39666 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.19 OC(=O)C1(N)CC1 PI-17130 [1,0,0,1,0,0|0,0,0]=2 330 B7R1.19 OC(=O)C1(O)CC1 PI-17158 [1,0,0,1,0,0|1,0,0]=3 331 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,1,0,1|1,0,0]=3 332 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,1,0,1|1,0,0]=3 333 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,1,0,1|1,0,0]=3 334 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,1,0,1|1,0,0]=3 335 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,1,0,1|1,0,0]=3 336 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,1,0,1|2,0,0]=4 337 B9R1.35 C1[C@H](CN[C@@H]1C(=O)N)O PI-48950 [0,0,0,1,0,1|2,0,0]=4 338 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,1,0,1|1,0,0]=3 339 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,1,0,1|1,0,0]=3 340 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,0,0,1,0,1|1,0,0]=3 341 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,0,0,1,0,1|1,0,0]=3 342 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,0,0,1,0,1|1,1,0]=4 343 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,0,0,1,0,1|1,1,0]=4 344 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,0,0,1,0,1|1,0,1]=4 345 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,1,0,1|1,0,0]=3 346 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,1,0,1|1,0,0]=3 347 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,1,0,1|1,0,0]=3 348 B9R1.38 O=C1NC(=O)C(C)(C)O1 PI-13286 [0,0,0,1,0,1|1,0,1]=4 349 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,0,1,0,1|0,0,0]=2 350 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,0,1,0,1|0,0,0]=2 351 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,1,0,1,0,0|0,0,0]=2 355 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,1,0,1,0,0|0,0,0]=2 356 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,1,0,1,0,0|0,0,0]=2 357 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.218 O=C[C@@]1(O)C(O)C1(C)C PI-14880 [0,1,0,1,0,0|1,0,1]=4 361 B7R0.6 CC(=O)NCC(=O)O PI-33247 [1,0,0,0,0,1|1,0,1]=4 362 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,0,0,0,0,1|1,0,1]=4 363 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,0,1|0,0,0]=2 364 B7R0.6 CC(C)CCC(C)O PI-30803 [1,0,0,0,0,1|1,0,1]=4 365 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,0,1|1,0,0]=3 366 B9R0.7 CC(C(=O)O)ON=C(C)C PI-19653 [0,0,0,0,0,2|1,0,1]=4 367 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,0,0,0,0,2|2,0,0]=4 368 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,0,0,0,0,2|0,0,0]=2 369 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,0,0,0,0,2|0,0,0]=2 370 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,0,0,0,0,2|0,0,0]=2