0 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(C)CB(O)O PI-37377 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(C)NC(C)C PI-41089 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)NC(C)C PI-45766 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,0,0|2,1,0]=3 10 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 CN(C)CC(=S)N PI-12763 [0,0,0,0,0,0|2,1,0]=3 19 B6R0.2 CN(CN(C)C)C PI-39543 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.2 C[SiH](N[SiH](C)C)C PI-45054 [0,0,0,0,0,0|2,2,0]=4 24 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,0,0,0,0,0|2,2,0]=4 25 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 BrCCN(C)C PI-41040 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CC(CCO)N PI-34839 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(CCO)N PI-35494 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,0,0,0,0|2,1,0]=4 45 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|1,1,1]=4 46 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 C[C@H](CCO)N PI-35493 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|0,0,2]=3 66 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.2 CC(C)CC(CO)N PI-35868 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.9 C(C(=O)O)C(F)(F)F PI-39059 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,1,0,0,0,0|2,1,0]=4 90 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,0|0,0,0]=1 91 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,0,0|1,1,0]=3 92 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,0,0|1,1,0]=3 94 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.9 CC(C)(CN(C)C)N PI-49000 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.9 CC(C)O[Si](C)(C)C PI-45124 [0,1,0,0,0,0|2,1,0]=4 99 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.9 NC(=S)NC(C)(C)C PI-23057 [0,1,0,0,0,0|2,1,0]=4 101 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,0,0|1,1,0]=3 102 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|0,0,2]=3 128 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,0|1,0,0]=2 142 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,0,0,0,1,0|3,0,0]=4 143 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,0,0,0,1,0|3,0,0]=4 144 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,0,0,0,1,0|3,0,0]=4 145 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,1,0|0,0,2]=3 146 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,1,0|2,0,1]=4 147 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,1,0|2,0,1]=4 148 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,1,0|2,0,1]=4 149 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,1,0|2,0,1]=4 150 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,1,0|1,0,0]=2 151 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,1,0|1,0,0]=2 152 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,1,0|2,0,0]=3 153 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,1,0|2,0,0]=3 154 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,1,0|2,0,0]=3 155 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,1,0|1,0,0]=2 156 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,1,0|2,0,0]=3 157 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,1,0|2,0,0]=3 158 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,1,0|2,0,0]=3 159 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,1,0|2,0,0]=3 160 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,1,0|2,0,0]=3 161 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,1,0|2,0,0]=3 162 B5R0.5 CC(C(C)S)O PI-13701 [0,0,0,0,1,0|1,0,2]=4 163 B5R0.5 CC(C(C)S)O PI-48503 [0,0,0,0,1,0|1,0,2]=4 164 B5R0.5 CC(C(C)S)S PI-48471 [0,0,0,0,1,0|1,1,1]=4 165 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,1,0|2,0,0]=3 166 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,1,0|2,0,0]=3 167 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,0,0,0,1,0|3,0,0]=4 168 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,1,0|2,0,0]=3 169 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,1,0|3,0,0]=4 170 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,0,0,0,1,0|3,0,0]=4 171 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,1,0|2,0,0]=3 172 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,1,0|2,0,1]=4 173 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,1|0,0,2]=3 174 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,1|1,0,1]=3 175 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,1|1,0,1]=3 176 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,1|2,0,1]=4 177 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,1|2,0,1]=4 178 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,1|2,0,1]=4 179 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,1|2,0,1]=4 180 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,0,0,0,0,1|2,0,0]=3 181 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,1|1,0,0]=2 182 B7R0.6 CC(C)CCC(C)N PI-49380 [0,0,0,0,0,1|1,0,1]=3 183 B7R0.6 CC(C)CCC(C)O PI-30803 [0,0,0,0,0,1|0,0,2]=3 184 B7R0.6 CC(C)SSC(C)C PI-48489 [0,0,0,0,0,1|2,0,1]=4 185 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,0,0,0,0,1|1,0,2]=4 186 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,0,0,0,0,1|2,0,0]=3 187 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 194 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,0]=3 195 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 CC(C)CN PI-46903 [2,0,0,0,0,0|1,0,0]=3 197 B4R0.1 CC(C)NC PI-41120 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.1 CC(CN)O PI-16659 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 CC(CO)O PI-16674 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CNN(C)C PI-40655 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 C[C@@H](CO)N PI-12236 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.1 C[C@@H](N)CO PI-16472 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 C[C@@H](O)CN PI-12234 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 NC[C@@H](N)C PI-39121 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 NNC(C)C PI-37110 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 OC[C@H](O)C PI-16673 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,1]=4 216 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.1 C(C(=O)NCO)Cl PI-29429 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.1 C(CS)C(=O)NN PI-50543 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 CC#CC(=O)OC PI-48956 [1,1,0,0,0,0|0,0,2]=4 221 B6R0.1 CC(CC=O)SC PI-48524 [1,1,0,0,0,0|0,0,0]=2 222 B6R0.1 CC(CCN)CO PI-48961 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.1 CCCC(=O)NN PI-23070 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|0,0,0]=2 225 B6R0.1 CCCC(CC)Cl PI-46859 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.1 CCCC(CO)O PI-13556 [1,1,0,0,0,0|0,0,2]=4 227 B6R0.1 CCOC(=O)C#C PI-35147 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.1 CCOC(=O)CBr PI-15815 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.1 CCOC(=O)NC PI-50343 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.1 CNCC(CO)O PI-34729 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.1 COC(=O)CCN PI-31148 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.1 COCC(=O)NN PI-50354 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.1 C[C@@H](CCO)CO PI-48285 [1,1,0,0,0,0|0,0,2]=4 235 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.1 NNC(OCC)=O PI-28515 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.1 O=C(OC)CCO PI-41038 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 CC(C(=O)O)NC PI-27549 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.3 CC(C(=O)O)NC PI-27557 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.3 CCC(=O)C(C)C PI-39171 [1,1,0,0,0,0|0,0,2]=4 249 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|0,0,0]=2 250 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 CCC(C(C)Br)Br PI-25651 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 NC(C(=O)O)CN PI-10165 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 NC(C(=O)O)CN PI-35820 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 NC(CO)C(O)=O PI-35846 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 NC(CS)C(=O)O PI-15748 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 NCC(C(=O)O)O PI-38395 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 O=C(O)C(C)CN PI-42145 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 OC[C@H](C(C)C)N PI-16477 [1,1,0,0,0,0|0,0,2]=4 269 B6R0.3 OC[C@H](N)C(C)C PI-14330 [1,1,0,0,0,0|0,0,2]=4 270 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.4 C#CCCC(=O)O PI-30018 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|1,0,0]=3 277 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|0,0,2]=4 278 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|0,0,2]=4 279 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|0,0,0]=2 286 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,0]=2 292 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.5 C=CC[Si](C)(C)C PI-35320 [1,1,0,0,0,0|0,1,1]=4 294 B6R0.5 CC(C)(CSC)N PI-50645 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [1,1,0,0,0,0|0,1,1]=4 297 B6R0.5 CCOC(C)(C)C PI-39331 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.5 CS(=O)(=O)CCBr PI-44875 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.5 NCC[S](=O)(=O)C PI-41234 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.5 O=CCC(C)(C)C PI-36862 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.5 OCCC(C)(C)C PI-38249 [1,1,0,0,0,0|0,0,2]=4 302 B6R0.7 CC(=O)C(F)(F)F PI-40209 [0,1,0,0,1,0|2,0,0]=4 303 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,1,0|1,0,0]=3 304 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,1,0|1,0,0]=3 305 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,1,0|1,0,0]=3 306 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,1,0|1,0,0]=3 307 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,1,0|1,0,0]=3 308 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,1,0|1,0,0]=3 309 B6R0.7 CC(S(=O)N)(C)C PI-38771 [0,1,0,0,1,0|2,0,0]=4 310 B6R0.7 CC([S@@](=O)N)(C)C PI-12385 [0,1,0,0,1,0|2,0,0]=4 311 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [0,1,0,0,1,0|2,0,0]=4 312 B6R0.7 C[C@@H](C(C)(C)C)O PI-49836 [0,1,0,0,1,0|0,0,2]=4 313 B6R0.7 C[SiH](C(C)(C)C)C PI-38471 [0,1,0,0,1,0|1,1,0]=4 314 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,1,0|1,0,0]=3 315 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,1,0,0,1,0|2,0,0]=4 316 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,1,0|1,0,0]=3 317 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,1|1,0,0]=3 318 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,1,0,0,0,1|1,0,0]=3 319 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,1,0,0,0,1|1,0,1]=4 320 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,1,0,0,0,1|2,0,0]=4 321 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,1|1,0,0]=3 322 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,1|1,0,0]=3 323 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,1|1,0,0]=3 324 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,1,0,0,0,1|1,0,0]=3 325 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,1,0,0,0,1|1,0,0]=3 326 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,1,0,0,0,1|1,0,0]=3 327 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,1,0,0,0,1|1,0,0]=3 328 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,1,0,0,0,1|1,0,0]=3 329 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,1,0,0,0,1|2,0,0]=4 330 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,1,0,0,0,1|1,0,0]=3 331 B8R0.29 CC(=O)C#C[Si](C)(C)C PI-35337 [0,1,0,0,0,1|0,1,1]=4 332 B8R0.29 CC(=O)ONC(C)(C)C PI-47090 [0,1,0,0,0,1|1,0,0]=3 333 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [0,1,0,0,0,1|1,0,0]=3 334 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [0,1,0,0,0,1|1,0,0]=3 335 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-41202 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-44698 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.2 CC(C(C(=O)NO)N)O PI-27523 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,2,0,0,0,0|1,0,0]=3 341 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|0,0,0]=2 344 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|0,0,0]=2 345 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,2,0,0,0,0|1,0,0]=3 372 B8R0.24 CC(C)(C)OC(=O)C#C PI-35847 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.24 CC(C)(C)OC(=O)CN PI-31136 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.24 CC(C)(C)OC(=O)CS PI-48134 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.24 CCC(=O)OC(C)(C)C PI-47052 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.24 NCC(=O)OC(C)(C)C PI-37610 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.24 NNC(=O)OC(C)(C)C PI-28875 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.24 ONC(=O)OC(C)(C)C PI-30529 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.34 CC(C)CC(C)(C#C)O PI-45937 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.18 CCC(C(=O)C)C(=O)C PI-40751 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.37 CC(C)C(C)(C(C)C)O PI-30454 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,2,0,0,0,0|1,0,0]=3 396 B6R1.2 C1C=CCC1N PI-35476 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 C1CNCC1F PI-37496 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 C1CNCC1N PI-12334 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 C1CNCC1N PI-15467 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.2 C1CNCC1N PI-15468 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.2 C1CNCC1N PI-16581 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.2 C1CNCC1N PI-16582 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.2 C1CNCC1O PI-10126 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.2 C1CNCC1O PI-42733 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.2 C1COCC1N PI-42643 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.2 C1COCC1N PI-44061 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 C1COCC1O PI-42698 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|1,0,1]=4 413 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|0,1,1]=4 415 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,0]=3 419 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,1,0,0|2,0,0]=4 421 B6R1.2 IC1COCC1 PI-42701 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.2 NC1COCC1 PI-42705 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,1,0,0|2,0,0]=4 425 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,1,0,0|0,0,2]=4 426 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,0]=3 427 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.2 OC1CC=CC1 PI-38265 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.2 OC1COCC1 PI-20870 [1,0,0,1,0,0|2,0,0]=4 430 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,1,0,0|2,0,0]=4 431 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.3 C1CC1CCI PI-48331 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.3 COCC1CO1 PI-24540 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.3 COCC1CO1 PI-24541 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.3 N#CCC1CC1 PI-13560 [1,0,0,1,0,0|1,0,1]=4 439 B6R1.3 OCCC1CC1 PI-17339 [1,0,0,1,0,0|0,0,2]=4 440 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|1,0,0]=3 441 B6R1.5 OC1CN(C1)C PI-37502 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [1,0,0,1,0,0|1,1,0]=4 443 B6R1.11 C1CC1C(=N)N PI-13557 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|1,0,0]=3 445 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|0,0,0]=2 447 B6R1.11 C[C@@H](C1CC1)N PI-48052 [1,0,0,1,0,0|1,0,1]=4 448 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,1|0,0,0]=2 449 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,1,0,1|1,0,1]=4 450 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,1,0,1|1,0,1]=4 451 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,1,0,1|1,0,1]=4 452 B8R1.3 CC1CNC(CN1)C PI-11053 [0,0,0,1,0,1|1,0,1]=4 453 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,1|1,0,0]=3 454 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,1,0,1|0,0,2]=4 455 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,1|1,0,1]=4 456 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,0,0,1,0,1|2,0,0]=4 457 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,0,0,1,0,1|2,0,0]=4 458 B8R1.51 CC1=NC(CO1)(C)C PI-46988 [0,0,0,1,0,1|1,0,0]=3 459 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,0,0,1,0,1|1,0,0]=3 460 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.4 CC1CC(CNC1)C PI-32523 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.4 CC1CCNC(C1)C PI-11063 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.4 CC1CN(CCN1)C PI-40975 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|0,0,0]=2 476 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|0,0,2]=4 484 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|1,0,0]=3 487 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,0,0,0,2|0,0,2]=4 488 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,0,0,0,0,2|1,0,1]=4 489 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,0,0,0,0,2|0,0,0]=2 490 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,0,0,0,2|2,0,0]=4 491 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,0,0,0,2|2,0,0]=4