0 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 C(CS)C(=O)NN PI-50543 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CC#CC(=O)OC PI-48956 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(=O)NN PI-23070 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCCC(=O)SC PI-48512 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(CC)Cl PI-46859 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCCC(CO)O PI-13556 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)C#C PI-35147 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.1 CCOC(=O)CBr PI-15815 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CCOC(=O)NC PI-50343 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 CNCC(=O)OC PI-45586 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 COC(=O)CCN PI-31148 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 COCC(=O)NN PI-50354 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 NNC(OCC)=O PI-28515 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 O=C(OC)CCO PI-41038 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|0,0,0]=1 28 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|1,1,0]=3 30 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|0,1,0]=2 31 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|1,1,0]=3 32 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|1,1,1]=4 42 B5R0.2 C(C=CCCl)Cl PI-40200 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|1,1,1]=4 44 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|0,0,1]=2 46 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.2 CCSSCC PI-45874 [1,0,0,0,0,0|1,1,0]=3 48 B5R0.2 OC\C=C\CO PI-40910 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 C(C(=O)NN)O PI-50333 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.3 C(C(=O)NN)S PI-50542 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 CCC(=O)CBr PI-20588 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.3 CCC(=O)NN PI-50290 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.3 CCC(CO)N PI-45910 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CNC(=O)CCl PI-39443 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 COC(=O)C#C PI-35828 [1,0,0,0,0,0|0,0,2]=3 57 B5R0.3 ClCC(=C)CCl PI-41237 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 OCC(=C)CO PI-24347 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 CCCCC(=O)NN PI-50263 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.3 COC(=O)CCC#C PI-39349 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 COC(=O)CCC=O PI-48276 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.3 COC(=O)CCCBr PI-44980 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 COC(=O)CCCN PI-42165 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.3 COC(=O)CCSC PI-45979 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 COCCC(=O)NN PI-50294 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.3 O=C(OC)CCNC PI-40057 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,1,0,0,0,0|0,0,0]=1 87 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,1,0,0,0,0|0,0,0]=1 89 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,1,0,0,0,0|0,0,0]=1 93 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,1,0,0,0,0|0,0,3]=4 96 B7R0.7 CCCC(=O)OCCl PI-36667 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|1,1,1]=4 99 B7R0.7 CCOC(=O)C#CC PI-22064 [0,1,0,0,0,0|0,0,1]=2 100 B7R0.7 CCOC(=O)COC PI-50353 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.7 CCOC(=O)CSC PI-39857 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,1,0,0,0,0|0,0,1]=2 103 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.7 CNCC(=O)OCC PI-30682 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.7 NCCC(=O)OCC PI-33213 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.7 OCCC(=O)OCC PI-39562 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.10 COC(=O)C(CO)N PI-11634 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.10 COC(=O)C(CO)O PI-42716 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.10 COC(=O)C(CS)N PI-15751 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.1 C1CC(OC1)CBr PI-30089 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.1 COC1OCCO1 PI-47112 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.1 ClCC1=NCCN1 PI-39638 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|0,0,0]=1 137 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,1,0,0|0,0,2]=3 156 B7R1.3 C1COC(CN1)O PI-41771 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,1,0,0|0,0,0]=1 168 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 O=C1COCCN1 PI-38277 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 C1CNC(=O)C1N PI-48181 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|0,0,2]=3 184 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,1,0,0|0,0,2]=3 185 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 CC1C(CCO1)S PI-14229 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.4 NC1CONC1=O PI-38463 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.22 C1CC1C(=O)NN PI-17834 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.22 COC(=O)C1CC1 PI-32774 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,0,0,1,0,0|3,0,0]=4 194 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 200 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,2]=4 205 B4R0.1 COC(=N)N PI-30686 [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 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|0,0,1]=3 211 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.2 CC(=CC(=O)C)O PI-39500 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,1,0,0,0,0|0,1,0]=3 214 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [1,1,0,0,0,0|1,1,0]=4 217 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,1,0,0,0,0|0,0,0]=2 222 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.5 CCOC(C)(C)C PI-39331 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.5 CCO[Si](C)(C)C PI-45123 [1,1,0,0,0,0|1,1,0]=4 248 B6R0.6 BrCCOCCBr PI-13583 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.6 C(COCCN)N PI-47125 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.6 CCCCCCN PI-46860 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.6 CCCCCNC PI-21907 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 CCCOCCCl PI-47054 [1,1,0,0,0,0|0,0,1]=3 253 B6R0.6 CCCSCCC PI-48482 [1,1,0,0,0,0|0,1,1]=4 254 B6R0.6 CCOC=CC#N PI-37795 [1,1,0,0,0,0|0,0,2]=4 255 B6R0.6 COCCOCCl PI-12842 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.8 CCS(=O)(=O)CC PI-30756 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.9 B(CC)(CC)CC PI-50005 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.9 CCC(CC)CBr PI-47059 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|1,0,0]=3 260 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,2,0,0,0,0|0,0,0]=2 270 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,2,0,0,0,0|0,0,1]=3 271 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,2,0,0,0,0|0,0,1]=3 272 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,2,0,0,0,0|0,0,1]=3 273 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,2,0,0,0,0|0,0,1]=3 274 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,2,0,0,0,0|0,0,1]=3 275 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,2,0,0,0,0|0,0,0]=2 276 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.5 CCOC(=O)NC(=O)N PI-47058 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,2,0,0,0,0|0,0,0]=2 279 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,2,0,0,0,0|0,0,1]=3 280 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,2,0,0,0,0|0,0,0]=2 281 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,2,0,0,0,0|0,0,1]=3 283 B8R0.5 [O-][N+](=O)CC(=O)OCC PI-22110 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.24 CC(C)(C)OC(=O)C#C PI-35847 [0,2,0,0,0,0|0,0,2]=4 292 B8R0.24 CC(C)(C)OC(=O)CN PI-31136 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.24 CC(C)(C)OC(=O)CS PI-48134 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.24 CCC(=O)OC(C)(C)C PI-47052 [0,2,0,0,0,0|0,0,0]=2 295 B8R0.24 NCC(=O)OC(C)(C)C PI-37610 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.24 NNC(=O)OC(C)(C)C PI-28875 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.24 ONC(=O)OC(C)(C)C PI-30529 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,2,0,0,0,0|0,0,1]=3 299 B8R0.1 CCOC(=O)C=CC=O PI-40874 [0,2,0,0,0,0|0,0,2]=4 300 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,2,0,0,0,0|0,0,1]=3 301 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,2,0,0,0,0|0,0,0]=2 302 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,2,0,0,0,0|0,0,0]=2 303 B8R0.1 CCOC(=O)CCCN PI-42166 [0,2,0,0,0,0|0,0,0]=2 304 B8R0.1 CCOC(=O)CCSC PI-48514 [0,2,0,0,0,0|0,0,0]=2 305 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,2,0,0,0,0|0,0,1]=3 306 B8R0.1 CCOCC(C)OCC PI-44418 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.1 O=C(OCC)CCNC PI-40053 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [0,2,0,0,0,0|0,0,0]=2 310 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,2,0,0,0,0|0,0,0]=2 312 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.3 CCOC(=O)C(=NO)Cl PI-19131 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.3 CCOC(=O)C(=NO)N PI-43976 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.3 CCOC(=O)C(=O)NN PI-50272 [0,2,0,0,0,0|1,0,1]=4 316 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,2,0,0,0,0|0,0,1]=3 317 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,2,0,0,0,0|0,0,0]=2 319 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|0,0,0]=2 320 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|0,0,0]=2 321 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.14 CCOC(=O)C(Br)(Br)F PI-13395 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.14 CCOC(=O)C(Br)(F)F PI-12726 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.14 CCOC(=O)C(C)(C)Br PI-45894 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.14 CCOC(=O)C(C)(C)O PI-39682 [0,2,0,0,0,0|0,0,0]=2 329 B8R0.14 CCOC(=O)C(C)(F)F PI-42687 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.14 CCOC(=O)C(F)(Cl)Cl PI-19520 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.14 CCOC(=O)C(F)(F)Cl PI-24381 [0,2,0,0,0,0|1,0,0]=3 332 B8R0.14 CCOC(=O)C(F)(F)F PI-15293 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.14 ICOC(=O)C(C)(C)C PI-35168 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.22 CCC(OCC)OCC PI-50606 [0,2,0,0,0,0|0,0,2]=4 336 B8R0.22 CCCN(CCC)N=O PI-47047 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.22 CCOC(C#C)OCC PI-40891 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.22 CCOC(CO)OCC PI-11243 [0,2,0,0,0,0|0,0,2]=4 339 B8R0.30 CCOP(=O)(O)OCC PI-41602 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.30 CCO[Si](OCC)(Cl)Cl PI-45052 [0,2,0,0,0,0|1,1,0]=4 341 B8R0.13 CCC(C)(C(=O)OC)N PI-26074 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.13 CCC(C)(C(=O)OC)N PI-26172 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.20 CCC(=O)N(CC)CC PI-47055 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.20 CCN(CC)C(=O)CCl PI-49043 [0,2,0,0,0,0|2,0,0]=4 345 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|0,0,2]=4 348 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.1 C1COCCN1 PI-42536 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,1,0,0|1,0,1]=4 357 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|0,0,0]=2 364 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,0]=2 371 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,1,0,1,0,0|0,0,2]=4 377 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|0,0,0]=2 381 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.2 NOC1CCCCO1 PI-31842 [0,1,0,1,0,0|0,0,2]=4 389 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.22 C1CNCCNC1=O PI-35483 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.22 C=C1OCCCCO1 PI-46618 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.22 O=C1CNCCCN1 PI-34767 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,1,0,1,0,0|0,0,2]=4 411 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.50 CN1CCN(C1=O)C PI-11680 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.37 N#CCC(C1CC1)=O PI-37029 [0,1,0,1,0,0|1,0,1]=4 415 B8R1.8 C1COC(O1)CCN PI-17178 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.8 CNCC1CCCO1 PI-45431 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.39 C1CC1(C(=O)CCl)Cl PI-44527 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.39 COC(=O)C1(CC1)Br PI-42941 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.39 COC(=O)C1(CC1)N PI-44987 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.39 COC(=O)C1(O)CC1 PI-36871 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,1,0,0|1,0,0]=3