0 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,0,0,0,0,0|0,0,1]=1 8 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,0,0,0,0,0|0,0,1]=1 9 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,0,0,0,0,0|0,0,2]=2 18 B6R0.2 CC(=CC(=O)C)O PI-39500 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.2 CC(=CC(=O)O)C PI-42632 [1,0,0,0,0,0|0,0,1]=2 21 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,0,0,0,0,0|2,1,0]=4 22 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.2 CC(C)CB(O)O PI-37377 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [1,0,0,0,0,0|1,2,0]=4 26 B6R0.2 CC(CC(=O)O)N PI-35438 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(CC(=O)O)N PI-35481 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.2 CC(CC(=O)O)N PI-43821 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.2 CC(CC(=O)O)O PI-47070 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.2 CN(C)CC(=O)O PI-15416 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.3 BrCC(=O)C(C)C PI-34836 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.3 CC(C(=O)O)NC PI-27549 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(C(=O)O)NC PI-27557 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 CC(C(=O)OC)Cl PI-13042 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.3 CC(C(=O)OC)N PI-31127 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.3 CCC(=O)C(C)Br PI-47067 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CCC(=O)C(C)C PI-39171 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.3 CCC(C(=O)C)S PI-48501 [1,0,0,0,0,0|1,1,1]=4 53 B6R0.3 CCC(C(=O)N)N PI-10559 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CCC(C(=O)O)N PI-28320 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.3 CCC(C(=O)O)N PI-43844 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.3 CN(C)C(=O)CBr PI-40959 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.3 COC(=O)C(=C)F PI-39526 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.3 COC(=O)C(N)C PI-10065 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 COC(=O)[C@H](N)C PI-18185 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.3 NC(C(=O)O)CN PI-10165 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 NC(C(=O)O)CN PI-35820 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 NC(CO)C(O)=O PI-35846 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 NC(CS)C(=O)O PI-15748 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 NCC(=O)N(C)C PI-34626 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 NCC(C(=O)O)O PI-38395 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.3 O=C(O)C(C)CN PI-42145 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.3 OC[C@H](C(C)C)N PI-16477 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.3 OC[C@H](N)C(C)C PI-14330 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,0,0,0,0,0|0,0,1]=2 81 B8R0.2 CC(C(C(=O)NO)N)O PI-27523 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.27 CC(C)(C)C(=O)C(Cl)Cl PI-44623 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,0,0,1,0,0|1,0,1]=3 116 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,0,0,1,0,0|2,0,1]=4 117 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,0,0,0,0,1|2,0,0]=3 118 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,0,0,0,1|2,0,1]=4 119 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,0,0,0,0,1|2,0,1]=4 120 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,0,0,0,1|0,0,0]=1 121 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,0,0,0,0,1|0,0,1]=2 122 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,0,0,0,0,1|0,0,1]=2 123 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,0,0,0,0,1|1,0,1]=3 124 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,0,0,0,1|1,0,1]=3 125 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,0,0,0,0,1|0,0,2]=3 126 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,0,0,0,1|1,0,1]=3 127 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,0,0,0,0,1|2,0,1]=4 128 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,0,0,0,0,1|1,0,1]=3 129 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,0,0,0,1|2,0,1]=4 130 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,0,0,0,1|1,0,1]=3 131 B8R0.23 OC(=O)CC(=O)C(=O)O PI-25448 [0,0,0,0,0,1|2,0,1]=4 132 B5R0.1 CC#CC(=O)O PI-12861 [2,0,0,0,0,0|0,0,2]=4 133 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CCCC(=O)N PI-32787 [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|1,0,1]=4 139 B5R0.1 C\C=C\C(=O)N PI-50568 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C\C=C\C(=O)O PI-48966 [2,0,0,0,0,0|0,0,1]=3 141 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 O=C=NC(C)C PI-11403 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.3 CCC(=C)C=O PI-44654 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.5 C(C(=O)O)(F)F PI-21386 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.5 C(C(=O)O)(N)O PI-48421 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.5 CC(=C)C(=O)C PI-41913 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [2,0,0,0,0,0|0,0,1]=3 152 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [2,0,0,0,0,0|0,0,1]=3 153 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [2,0,0,0,0,0|0,0,1]=3 154 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [2,0,0,0,0,0|0,0,1]=3 155 B5R0.5 CC(C(=O)C)Br PI-35002 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.5 CC(C(=O)C)S PI-48502 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.5 CC(C(=O)N)C PI-28643 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.5 CC(C(=O)N)N PI-16292 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.5 CC(C(=O)N)N PI-42205 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.5 CC(C(=O)O)Br PI-47030 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.5 CC(C(=O)O)Cl PI-28351 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.5 CC(C(=O)O)F PI-40363 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(C(=O)[O-])O PI-14769 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.5 CN(C)C(=O)N PI-50675 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.5 C[C@H](C(=O)O)O PI-36770 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.5 OC(=O)C(=O)C PI-15477 [2,0,0,0,0,0|0,0,0]=2 172 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,1,0,0,0,0|0,0,1]=3 174 B7R0.2 CC(=CC(=O)OC)N PI-13659 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.2 CC(C)NC(=O)NN PI-50450 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [1,1,0,0,0,0|0,0,2]=4 194 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [1,1,0,0,0,0|0,1,1]=4 196 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [1,1,0,0,0,0|0,0,1]=3 197 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,1,0,0,0,0|0,0,2]=4 201 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(=O)C(=S)N PI-34781 [1,1,0,0,0,0|1,1,0]=4 206 B7R0.5 COCC(C(=O)O)N PI-14934 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.5 COCC(C(=O)O)N PI-14935 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.10 CC(C(=O)NN)OC PI-50407 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.10 CNC(=O)C(=O)NC PI-14652 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.10 COC(=O)C(=C)CBr PI-10940 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.10 COC(=O)C(=C)CCl PI-41261 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.10 COC(=O)C(=C)CO PI-41263 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.10 COC(=O)C(=O)NN PI-50286 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [1,1,0,0,0,0|0,0,2]=4 238 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.14 CC(C)(C(=O)NN)O PI-50406 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.14 CC(C)(C)C(=O)NN PI-50291 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.14 COC(=O)C(O)(C)C PI-13169 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.23 CC(=O)CC(=O)C(=O)OC PI-29316 [0,1,0,0,0,1|1,0,1]=4 247 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,1,0,0,0,1|1,0,1]=4 248 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,1,0,0,0,1|1,0,1]=4 249 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,1,0,0,0,1|1,0,1]=4 250 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,0,0,0,1|1,0,1]=4 251 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,1,0,0,0,1|0,0,0]=2 252 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.25 CC(C)(C)C(C(=O)OC)N PI-38673 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.25 COC(=O)C(=O)C(F)(F)F PI-40210 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C PI-26818 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.29 CC(C)C(C(=O)OC)NC PI-43750 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.33 CC(C)C(C(=O)O)NC=O PI-33236 [0,2,0,0,0,0|0,0,1]=3 260 B9R0.54 CC(C)C(C(=O)O)C(=O)O PI-19752 [0,2,0,0,0,0|0,0,1]=3 261 B9R0.76 OCC(C(=O)O)(C(C)C)N PI-26889 [0,2,0,0,0,0|0,0,2]=4 262 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|0,0,1]=3 273 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.4 C1C(C(=O)NO1)N PI-16473 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.4 NC1CONC1=O PI-38463 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|0,0,2]=4 282 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|1,0,1]=4 286 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.19 NC1(CC1)C(O)=O PI-17131 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.19 OC(=O)C1(F)CC1 PI-39666 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.19 OC(=O)C1(N)CC1 PI-17130 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.19 OC(=O)C1(O)CC1 PI-17158 [1,0,0,1,0,0|0,0,2]=4 292 B7R1.22 C1CC1C(=O)NN PI-17834 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.35 CC(C)C1=NNC(=O)O1 PI-49024 [0,0,0,1,0,1|2,0,0]=4 295 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,0,0,1,0,1|1,0,1]=4 296 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,0,0,1,0,1|1,0,1]=4 297 B9R1.38 CC1(C(=O)NC(=O)N1)C PI-32509 [0,0,0,1,0,1|1,0,0]=3 298 B9R1.38 CC1(CC(=O)OC1=C)C PI-27827 [0,0,0,1,0,1|2,0,0]=4 299 B9R1.38 O=C1NC(=O)C(C)(C)O1 PI-13286 [0,0,0,1,0,1|0,0,0]=2 300 B9R1.69 C1CC(=O)NC(=O)C1N PI-40871 [0,0,0,1,0,1|2,0,0]=4 301 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,0,1,0,1|1,0,1]=4 302 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,0,1,0,1|1,0,1]=4 303 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.37 CC1C(=O)C(=C(O1)C)O PI-11456 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.37 CC1CC(C(=O)C1=O)C PI-47193 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,1,0,1,0,0|0,0,2]=4 311 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,1,0,1,0,0|0,0,2]=4 313 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,0,0,0,1|1,0,1]=4 314 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,0,1|0,0,1]=3 315 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,0,1|1,0,1]=4 316 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,0,0,0,0,2|1,0,1]=4 317 B9R0.7 CN(C)C(=S)SCC(=O)O PI-47104 [0,0,0,0,0,2|1,1,0]=4 318 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,0,0,0,0,2|1,0,1]=4 319 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,0,0,0,0,2|1,0,1]=4 320 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,0,0,0,0,2|1,0,1]=4 321 B9R0.53 CC(C)OC(=O)\C=C(\C)/N PI-11272 [0,0,0,0,0,2|2,0,0]=4