0 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,0,0|0,1,1]=2 10 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.5 CC(C(C)S)O PI-13701 [0,0,0,0,0,0|0,1,3]=4 21 B5R0.5 CC(C(C)S)O PI-48503 [0,0,0,0,0,0|0,1,3]=4 22 B5R0.5 CC(C(C)S)S PI-48471 [0,0,0,0,0,0|0,2,2]=4 23 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.5 NC(=S)C(=S)N PI-18908 [0,0,0,0,0,0|2,2,0]=4 30 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,0,0|1,0,0]=1 32 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C(=C(F)Cl)Cl PI-21037 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C(=C(F)Cl)F PI-20042 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|0,0,2]=3 43 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|0,0,3]=4 49 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|0,1,1]=3 71 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 COC(=O)C(=C)F PI-39526 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|0,0,2]=3 83 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 NC(CS)C(=O)O PI-15748 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.7 C(=O)([O-])P(=O)([O-])[O-] PI-24535 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.7 C(=O)([O-])P(=O)([O-])[O-] PI-42920 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.7 CC(=O)C(F)(F)F PI-40209 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,0,0|2,0,1]=4 110 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.11 C1CC1C(=O)N PI-30796 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|1,0,1]=3 113 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,1|0,0,1]=2 114 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,1|2,0,0]=3 115 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,1|2,0,0]=3 116 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,1|1,1,0]=3 117 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,1|1,0,1]=3 118 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,1|2,0,1]=4 119 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,1|2,0,1]=4 120 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,1|2,0,1]=4 121 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,1|2,0,1]=4 122 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,1|1,0,2]=4 123 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,1|1,0,1]=3 124 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,1|2,0,1]=4 125 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,1|3,0,0]=4 126 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,1|2,0,1]=4 127 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,1|2,0,1]=4 128 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,1|3,0,0]=4 129 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,1|1,0,0]=2 130 B3R0.1 C(=CBr)Br PI-47053 [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 C(=CCl)F PI-20089 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,1]=3 133 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 137 B3R0.2 C=C(F)Br PI-14442 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,0,1]=3 140 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|0,0,1]=3 141 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,1,0]=4 142 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,2]=4 143 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|0,1,1]=4 144 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|0,0,1]=3 147 B5R0.1 BrCC=C(C)C PI-12725 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|0,0,0]=2 154 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|0,0,1]=3 156 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|0,0,1]=3 157 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 C(C(=O)NN)O PI-50333 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.3 C(C(=O)NN)S PI-50542 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|0,0,1]=3 173 B5R0.3 CCC(=O)NN PI-50290 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 CNC(=O)CCl PI-39443 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.3 COC(=O)C#C PI-35828 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.4 CSS(=O)(=O)C PI-24302 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,1|1,0,0]=3 179 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,1|1,0,0]=3 180 B7R0.2 CC(=O)OC(=C)C#N PI-26544 [0,1,0,0,0,1|1,0,1]=4 181 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,1|1,0,1]=4 182 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,1|1,0,1]=4 183 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,1|0,0,2]=4 184 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,1|0,0,2]=4 185 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,1|1,0,1]=4 186 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,1|1,0,1]=4 187 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [0,1,0,0,0,1|2,0,0]=4 188 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,1|1,0,1]=4 189 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,1|1,0,1]=4 190 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,1|1,0,1]=4 191 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,1|1,0,0]=3 192 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,1|1,0,1]=4 193 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,0,1|1,1,0]=4 194 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,1|1,0,1]=4 195 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,0,1|1,1,0]=4 196 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,1,0,0,0,1|2,0,0]=4 197 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,2,0,0,0,0|1,1,0]=4 200 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.10 C(=O)(C(=O)NN)NN PI-50365 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [0,2,0,0,0,0|0,0,0]=2 207 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,2,0,0,0,0|0,0,0]=2 215 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,2,0,0,0,0|0,0,2]=4 233 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,1]=4 234 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,1]=3 235 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|0,0,2]=4 236 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,1|1,0,0]=3 238 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,0,0,1,0,1|1,0,0]=3 239 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,0,0,1,0,1|1,1,0]=4 240 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,0,0,1,0,1|1,1,0]=4 241 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,0,0,1,0,1|1,0,1]=4 242 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,0,0,1,0,1|2,0,0]=4 243 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,0,0,1,0,1|2,0,0]=4 244 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,0,0,1,0,1|2,0,0]=4 245 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,0,0,1,0,1|2,0,0]=4 246 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,1,0,1|2,0,0]=4 247 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,0,0,1,0,1|1,1,0]=4 248 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,0,0,1,0,1|2,0,0]=4 249 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,1|1,0,1]=4 250 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,1,0,1|2,0,0]=4 251 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,0,0,1,0,1|2,0,0]=4 252 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,0,0,1,0,1|2,0,0]=4 253 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,0,0,1,0,1|2,0,0]=4 254 B7R1.2 Cc1scc(c1)C PI-29816 [0,0,0,1,0,1|1,1,0]=4 255 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,0,0,1,0,1|0,0,2]=4 256 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,0,0,1,0,1|1,1,0]=4 257 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,1|1,0,0]=3 258 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.4 CC1=C(SC=N1)C PI-11140 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.4 CC1=CNN=C1C PI-41141 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|0,0,2]=4 276 B7R0.6 C(#CC(=O)N)C(=O)N PI-29683 [0,0,0,0,0,2|2,0,0]=4 277 B7R0.6 C(#CC(=O)[O-])C(=O)O PI-32778 [0,0,0,0,0,2|2,0,0]=4 278 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [0,0,0,0,0,2|2,0,0]=4 279 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,2|1,0,0]=3 280 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,0,0,0,0,2|1,0,0]=3 281 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,2|0,0,0]=2 282 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,2|0,0,0]=2 283 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,2|1,0,0]=3 284 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,2|0,0,0]=2 285 B7R0.6 CC(=O)NNC(=S)N PI-30346 [0,0,0,0,0,2|1,1,0]=4 286 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,2|1,0,0]=3 287 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,2|1,0,0]=3 288 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [0,0,0,0,0,2|2,0,0]=4