0 B6R0.1 C(C#N)C(=O)NN PI-50233 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 C(CS)C(=O)NN PI-50543 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CC#CC(=O)OC PI-48956 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.1 CCCC(=O)NN PI-23070 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(=O)SC PI-48512 [0,0,0,0,0,0|0,1,0]=1 6 B6R0.1 CCCC(C=C)O PI-15324 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.1 CCCC(CC)Cl PI-46859 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCCC(CO)O PI-13556 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCOC(=O)C#C PI-35147 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCOC(=O)CBr PI-15815 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CCOC(=O)NC PI-50343 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CNCC(=O)OC PI-45586 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.1 COC(=O)CCN PI-31148 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 COCC(=N)NO PI-36392 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.1 COCC(=O)NN PI-50354 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 NNC(OCC)=O PI-28515 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 O=C(OC)CCO PI-41038 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 BrCCN(C)C PI-41040 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CC(CCO)N PI-34839 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(CCO)N PI-35494 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,0,0,0,0|1,2,0]=4 38 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|2,1,0]=4 39 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 C[C@H](CCO)N PI-35493 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|0,0,2]=3 47 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|1,1,0]=3 57 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 CCSSCC PI-45874 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.3 C(C(=O)NN)O PI-50333 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 C(C(=O)NN)S PI-50542 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.3 CCC(=O)CBr PI-20588 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 CCC(=O)NN PI-50290 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.3 CNC(=O)CCl PI-39443 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 COC(=O)C#C PI-35828 [1,0,0,0,0,0|0,0,2]=3 73 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,0|0,0,2]=3 75 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|0,0,0]=1 86 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 CCCCC(=O)NN PI-50263 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.3 COC(=O)CCC#C PI-39349 [0,1,0,0,0,0|0,0,1]=2 91 B7R0.3 COC(=O)CCC=O PI-48276 [0,1,0,0,0,0|0,0,1]=2 92 B7R0.3 COC(=O)CCCBr PI-44980 [0,1,0,0,0,0|0,0,0]=1 93 B7R0.3 COC(=O)CCCN PI-42165 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.3 COC(=O)CCSC PI-45979 [0,1,0,0,0,0|0,0,0]=1 95 B7R0.3 COC(=O)CNC=O PI-33232 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,1,0,0,0,0|0,0,2]=3 97 B7R0.3 COCCC(=O)NN PI-50294 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.3 O=C(OC)CCNC PI-40057 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,1,0,0,0,0|0,0,3]=4 113 B7R0.7 CCCC(=O)OCCl PI-36667 [0,1,0,0,0,0|0,0,0]=1 114 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|1,1,1]=4 116 B7R0.7 CCOC(=O)C#CC PI-22064 [0,1,0,0,0,0|0,0,2]=3 117 B7R0.7 CCOC(=O)COC PI-50353 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.7 CCOC(=O)CSC PI-39857 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.7 CNCC(=O)OCC PI-30682 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.7 COCC(N)COC PI-36402 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.7 NCCC(=O)OCC PI-33213 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.7 OCCC(=O)OCC PI-39562 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,1,0,0,0,0|0,0,0]=1 130 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,1,0,0,0,0|0,0,0]=1 131 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,1,0,0,0,0|0,0,0]=1 132 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.10 COC(=O)C(CO)N PI-11634 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.10 COC(=O)C(CO)O PI-42716 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.10 COC(=O)C(CS)N PI-15751 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,1,0,0,0,0|1,0,0]=2 146 B7R1.1 C1CCC(C1)ON PI-47243 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.1 COC1OCCO1 PI-47112 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.1 O=CC1=CCCC1 PI-39104 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,1,0,0|0,0,2]=3 175 B7R1.3 C1COC(CN1)O PI-41771 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,1,0,0|0,0,0]=1 187 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 O=C1COCCN1 PI-38277 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 C1CNC(=O)C1N PI-48181 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.22 C1CC1C(=O)NN PI-17834 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.22 COC(=O)C1CC1 PI-32774 [0,0,0,1,0,0|0,0,0]=1 209 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,0,0,1,0,0|1,0,0]=2 210 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 216 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.1 COC(=N)N PI-30686 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.2 CC(=CC(=O)C)O PI-39500 [1,1,0,0,0,0|0,0,2]=4 235 B6R0.2 CC(=CC(=O)O)C PI-42632 [1,1,0,0,0,0|0,0,2]=4 236 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,1,0,0,0,0|1,1,0]=4 237 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.2 CC(C)CB(O)O PI-37377 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|0,0,1]=3 240 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|0,0,0]=2 241 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|0,0,0]=2 243 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|0,0,0]=2 244 B6R0.2 CC(CC(C)Br)Br PI-25295 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.2 CN(C)CC(=O)O PI-15416 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|0,0,0]=2 249 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|0,0,0]=2 250 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [1,1,0,0,0,0|0,0,2]=4 252 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 CC(C(=O)O)NC PI-27549 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.3 CC(C(=O)O)NC PI-27557 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|0,0,0]=2 264 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|0,0,0]=2 266 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|0,0,0]=2 267 B6R0.3 CCC(C(C)Br)Br PI-25651 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|0,0,0]=2 270 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|0,0,0]=2 271 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.3 NC(C(=O)O)CN PI-10165 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.3 NC(C(=O)O)CN PI-35820 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.3 NC(CO)C(O)=O PI-35846 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.3 NC(CS)C(=O)O PI-15748 [1,1,0,0,0,0|1,0,0]=3 277 B6R0.3 NCC(C(=O)O)O PI-38395 [1,1,0,0,0,0|1,0,0]=3 278 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.3 O=C(O)C(C)CN PI-42145 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|0,0,2]=4 285 B6R0.4 B(CCCC)(O)O PI-16470 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,1,0,0,0,0|0,0,2]=4 287 B6R0.4 C#CCCC(=O)O PI-30018 [1,1,0,0,0,0|0,0,1]=3 288 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,1,0,0,0,0|0,0,1]=3 290 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|0,0,1]=3 292 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|0,0,1]=3 293 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|0,0,2]=4 294 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|0,0,2]=4 295 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|0,0,0]=2 297 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|0,0,0]=2 302 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|0,0,0]=2 305 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|0,0,0]=2 306 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,0]=2 307 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.5 C(CS(=O)(=O)O)N PI-31986 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [1,1,0,0,0,0|1,1,0]=4 312 B6R0.5 CS(=O)(=O)CCBr PI-44875 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.5 NCC[S](=O)(=O)C PI-41234 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.6 CCCCCCN PI-46860 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.6 CCCCCNC PI-21907 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.6 CCCOCCCl PI-47054 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.6 CCCSCCC PI-48482 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.6 CCC\C=C\C=O PI-40157 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.6 CNCCCNC PI-32197 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.6 COCCCCBr PI-39605 [1,1,0,0,0,0|0,0,1]=3 321 B6R0.6 COCCOCCl PI-12842 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.8 CCS(=O)(=O)CC PI-30756 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.2 CC(C(C(=O)NO)N)O PI-27523 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,2,0,0,0,0|0,0,0]=2 326 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,2,0,0,0,0|0,0,0]=2 327 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,2,0,0,0,0|0,0,0]=2 329 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|0,0,0]=2 331 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,2,0,0,0,0|0,0,1]=3 333 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,2,0,0,0,0|0,0,0]=2 335 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,2,0,0,0,0|0,0,0]=2 336 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,2,0,0,0,0|0,0,0]=2 342 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,2,0,0,0,0|0,0,2]=4 345 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,2,0,0,0,0|0,0,0]=2 346 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.5 [O-][N+](=O)CC(=O)OCC PI-22110 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,2,0,0,0,0|0,0,2]=4 350 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,2,0,0,0,0|1,0,0]=3 351 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,2,0,0,0,0|0,0,0]=2 353 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,2,0,0,0,0|0,0,0]=2 354 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,2,0,0,0,0|0,0,1]=3 355 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,2,0,0,0,0|0,0,0]=2 356 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.24 CCC(=O)OC(C)(C)C PI-47052 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,2,0,0,0,0|0,0,1]=3 366 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.1 CCOC(=O)CCCN PI-42166 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.1 CCOC(=O)CCSC PI-48514 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.1 CCOCC(C)OCC PI-44418 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.1 O=C(OCC)CCNC PI-40053 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|0,0,0]=2 375 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,2,0,0,0,0|0,0,1]=3 376 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|0,0,0]=2 383 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|0,0,0]=2 384 B8R0.6 CCCCCC(=O)NN PI-50287 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,2,0,0,0,0|0,0,0]=2 386 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,2,0,0,0,0|0,0,1]=3 388 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.11 COC(CCCBr)OC PI-35017 [0,2,0,0,0,0|0,0,2]=4 390 B8R0.11 COC(CCCCl)OC PI-28354 [0,2,0,0,0,0|0,0,2]=4 391 B8R0.25 CCCC[Si](C)(C)OC PI-22928 [0,2,0,0,0,0|1,1,0]=4 392 B8R0.14 CCOC(=O)C(C)(C)Br PI-45894 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.14 CCOC(=O)C(C)(C)O PI-39682 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.14 CCOC(=O)C(C)(F)F PI-42687 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.22 CCCN(CCC)N=O PI-47047 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.30 CCOP(=O)(O)OCC PI-41602 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.13 CCC(C)(C(=O)OC)N PI-26074 [0,2,0,0,0,0|0,0,0]=2 401 B8R0.13 CCC(C)(C(=O)OC)N PI-26172 [0,2,0,0,0,0|0,0,0]=2 402 B8R0.20 CCC(=O)N(CC)CC PI-47055 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.20 COC(=O)C(CBr)CBr PI-10945 [0,2,0,0,0,0|1,0,0]=3 404 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|0,0,2]=4 407 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|1,0,1]=4 408 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|1,0,1]=4 409 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|0,1,1]=4 410 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,1,0,0|0,0,2]=4 413 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,0]=3 414 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|2,0,0]=4 415 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [1,0,0,1,0,0|1,1,0]=4 417 B6R1.11 C1CC1C(=N)N PI-13557 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|1,0,0]=3 419 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,0]=3 420 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|0,0,0]=2 421 B6R1.11 C[C@@H](C1CC1)N PI-48052 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.11 OB(O)C1CC1 PI-25551 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.1 C1COCCN1 PI-42536 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,1,0,0|1,0,1]=4 426 B6R1.6 C1C(CO1)CO PI-48337 [1,0,0,1,0,0|1,0,1]=4 427 B6R1.6 COC1CNC1 PI-36805 [1,0,0,1,0,0|1,0,1]=4 428 B6R1.6 COC1CNC1 PI-48292 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.6 OCC1COC1 PI-38455 [1,0,0,1,0,0|1,0,1]=4 430 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|0,0,0]=2 433 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,1,0,1,0,0|0,0,2]=4 434 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,1,0,1,0,0|0,0,2]=4 449 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.51 C1C(CS(=O)(=O)O1)Br PI-34765 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.51 CC1=NC(CO1)(C)C PI-46988 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.2 COC1CCCNC1 PI-36380 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 COC1CCCNC1 PI-43328 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.2 COC1CCNCC1 PI-39354 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.2 COC1CCNCC1 PI-39359 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 NOC1CCCCO1 PI-31842 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.5 CC1=NCCCN1C PI-44800 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.5 CC1=NCCCN1C PI-44822 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.22 C1CNCCNC1=O PI-35483 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.22 C=C1OCCCCO1 PI-46618 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.22 O=C1CNCCCN1 PI-34767 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,1,0,1,0,0|0,0,0]=2 485 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,1,0,1,0,0|0,0,0]=2 486 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,1,0,1,0,0|0,0,0]=2 487 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.50 CN1CCN(C1=O)C PI-11680 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.37 N#CCC(C1CC1)=O PI-37029 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.39 C1CC1(C(=O)CCl)Cl PI-44527 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.39 CC1(CC1)C(=O)NN PI-50409 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.39 COC(=O)C1(CC1)Br PI-42941 [0,1,0,1,0,0|0,0,0]=2 500 B8R1.39 COC(=O)C1(CC1)N PI-44987 [0,1,0,1,0,0|0,0,0]=2 501 B8R1.39 COC(=O)C1(O)CC1 PI-36871 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,1,0,0|1,0,0]=3