0 B7R0.3 CCCCC(=O)NN PI-50263 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 COC(=O)CCC#C PI-39349 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.3 COC(=O)CCC=O PI-48276 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.3 COC(=O)CCCBr PI-44980 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.3 COC(=O)CCCN PI-42165 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.3 COC(=O)CCSC PI-45979 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.3 COC(=O)CNC=O PI-33232 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 COCCC(=O)NN PI-50294 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 O=C(OC)CCNC PI-40057 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 C(CS)C(=O)NN PI-50543 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CC#CC(=O)OC PI-48956 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.1 CCCC(=O)NN PI-23070 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCCC(=O)SC PI-48512 [1,0,0,0,0,0|0,1,0]=2 15 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNCC(=O)OC PI-45586 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 COC(=O)CCN PI-31148 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 COCC(=O)NN PI-50354 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 NNC(OCC)=O PI-28515 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 O=C(OC)CCO PI-41038 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.4 B(CCCC)(O)O PI-16470 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 C#CCCC(=O)O PI-30018 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CC(NCCS)=O PI-37034 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC=CCC(=O)O PI-47130 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,0,0,0,0|0,0,1]=2 32 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.4 CCCNC(=O)N PI-19783 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 CCNCC(=O)O PI-43211 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 CN(C)CCCCl PI-50389 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CN(C)CCCO PI-31996 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CNCCN(C)C PI-39257 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CSCCC(=O)O PI-31992 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 ClCCCN(C)C PI-34098 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 NCCCC(=O)O PI-35917 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.4 OCCCC(=O)C PI-13555 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.1 CCOCC(C)OCC PI-44418 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,1,0,0,0,0|0,0,0]=1 69 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 CCCCNC(=S)NN PI-23055 [0,1,0,0,0,0|2,1,0]=4 74 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,0,0,0,0|0,0,0]=1 75 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.11 COC(CCCBr)OC PI-35017 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.11 COC(CCCCl)OC PI-28354 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,1,0,0,0,0|0,0,1]=2 83 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,0,0,0,0|0,0,0]=1 85 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.25 CCCC[Si](C)(C)OC PI-22928 [0,1,0,0,0,0|1,1,0]=3 89 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.2 C1CCC(CC1)ON PI-47245 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 COC1CCCNC1 PI-36380 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 COC1CCCNC1 PI-43328 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 COC1CCNCC1 PI-39354 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 COC1CCNCC1 PI-39359 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 NOC1CCCCO1 PI-31842 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.5 CC1=NCCCN1C PI-44800 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.5 CC1=NCCCN1C PI-44822 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.5 CC1CNCCC1=O PI-43304 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.5 O=C1CCCCC1=O PI-20909 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.5 O=C1CCOCC1F PI-39023 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.5 O=C1NCCCC1O PI-41426 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.52 CCC1(CCCC1)O PI-37576 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.52 CC[N+]1(C)CCCC1 PI-36564 [0,0,0,1,0,0|3,0,0]=4 133 B5R0.1 B(CCC)(O)O PI-35885 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CC#CC(=O)O PI-12861 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 140 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 143 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 144 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 C\C=C\C(=O)O PI-48966 [2,0,0,0,0,0|0,0,2]=4 150 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 OC(CON)=O PI-37190 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 159 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|1,1,0]=4 162 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.3 CNC(=O)CCl PI-39443 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.3 COC(=O)C#C PI-35828 [2,0,0,0,0,0|0,0,2]=4 174 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,1,0,0,0,0|0,0,2]=4 175 B7R0.2 CC(=CC(=O)OC)N PI-13659 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|0,0,0]=2 178 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|0,0,0]=2 179 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|0,0,0]=2 181 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|0,0,0]=2 184 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.7 CCCC(=O)OCCl PI-36667 [1,1,0,0,0,0|0,0,0]=2 192 B7R0.7 CCOC(=O)C#CC PI-22064 [1,1,0,0,0,0|0,0,2]=4 193 B7R0.7 CCOC(=O)COC PI-50353 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=O)CSC PI-39857 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.7 CNCC(=O)OCC PI-30682 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.7 NCCC(=O)OCC PI-33213 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.7 OCCC(=O)OCC PI-39562 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|0,0,0]=2 203 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|0,0,0]=2 205 B7R0.10 COC(=O)C(=C)CBr PI-10940 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.10 COC(=O)C(=C)CCl PI-41261 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.10 COC(=O)C(=C)CO PI-41263 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.10 COC(=O)C(CCl)N PI-28403 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.10 COC(=O)C(CCl)N PI-39772 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.10 COC(=O)C(CCl)N PI-41755 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.10 COC(=O)C(CO)N PI-11634 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.10 COC(=O)C(CO)O PI-42716 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.10 COC(=O)C(CS)N PI-15751 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|0,0,0]=2 219 B7R0.4 C#CCCCC(O)=O PI-37286 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,1,0,0,0,0|0,0,1]=3 221 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.4 CCCCCB(O)O PI-37261 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.4 CCCCNC(=S)N PI-23056 [1,1,0,0,0,0|1,1,0]=4 227 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|0,2,0]=4 228 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.4 CCO\C=C\C(=O)O PI-41236 [1,1,0,0,0,0|0,0,2]=4 230 B7R0.4 CN(C)CCCCN PI-23376 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.4 CNCCCN(C)C PI-19630 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.4 COCCOC(=O)C PI-12910 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|0,0,0]=2 234 B7R0.4 O=C(O)CNCC=C PI-37297 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|0,0,0]=2 236 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|0,0,1]=3 239 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.6 CC(=O)NCC(=O)O PI-33247 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|0,0,0]=2 244 B7R0.6 CC(C)CCC(C)N PI-49380 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.6 CC(C)CCC(C)O PI-30803 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,1,0,0,0,0|0,0,2]=4 247 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.8 C(CN)CP(=O)(O)O PI-19098 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [1,1,0,0,0,0|1,1,0]=4 250 B7R0.8 O=S(CCCN)(O)=O PI-42473 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.1 COCCCCCBr PI-50168 [1,1,0,0,0,0|0,0,1]=3 254 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|0,0,0]=2 256 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|0,0,2]=4 259 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,2,0,0,0,0|0,0,0]=2 261 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,2,0,0,0,0|0,0,0]=2 262 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,2,0,0,0,0|0,0,0]=2 263 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,2,0,0,0,0|0,0,0]=2 264 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|0,0,0]=2 266 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,2,0,0,0,0|0,0,0]=2 267 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [0,2,0,0,0,0|1,0,0]=3 268 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,2,0,0,0,0|0,0,1]=3 272 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|0,0,0]=2 273 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,2,0,0,0,0|0,0,2]=4 274 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.23 CC(=O)CC(=O)C(=O)OC PI-29316 [0,2,0,0,0,0|0,0,2]=4 277 B9R0.23 CC(C(=O)OC)NC(=O)C PI-26364 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,2,0,0,0,0|0,0,0]=2 279 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,2,0,0,0,0|2,0,0]=4 280 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,2,0,0,0,0|0,0,0]=2 282 B9R0.27 CC(C(=O)OC)C(=O)OC PI-41196 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.27 CCC(=O)C(C(=O)OC)F PI-36598 [0,2,0,0,0,0|0,0,1]=3 284 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,2,0,0,0,0|0,0,0]=2 285 B9R0.27 COC(=O)C(C(=O)OC)Cl PI-37603 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.27 COC(=O)C(C(=O)OC)F PI-21949 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.27 COC(=O)C(C(=O)OC)N PI-18228 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,2,0,0,0,0|0,0,1]=3 289 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,2,0,0,0,0|0,0,1]=3 291 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|0,0,0]=2 296 B9R0.7 CC(C)COC(=O)C(C)Cl PI-15308 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,2,0,0,0,0|2,0,0]=4 298 B9R0.7 CC(CNC(=O)C(=C)C)O PI-19313 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,2,0,0,0,0|0,0,1]=3 304 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.21 COC(=O)OCC(F)(F)F PI-44558 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.26 COC(=O)CC(OC)OC PI-37580 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.22 CC(C)(CC(=O)OC)C=C PI-43257 [0,2,0,0,0,0|0,0,2]=4 309 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 313 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 315 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 C1COC(=O)C=C1 PI-47083 [1,0,0,1,0,0|0,0,2]=4 327 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,0]=2 330 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.22 C1CC1C(=O)NN PI-17834 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|0,0,0]=2 342 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|1,0,0]=3 344 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.14 CC1(O)CCCC1 PI-36469 [1,0,0,1,0,0|0,0,2]=4 346 B7R1.14 C[Si]1(CCCC1)C PI-45650 [1,0,0,1,0,0|1,1,0]=4 347 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|0,0,0]=2 349 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|0,0,0]=2 355 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,0,1]=4 356 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|0,0,0]=2 358 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.8 C1CCC(CC1)OCCl PI-47095 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.8 COCC1CCCCN1 PI-43215 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.8 COCC1CCCCN1 PI-43325 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.15 COC1CCCCC1=O PI-28180 [0,1,0,1,0,0|0,0,0]=2 364 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [0,1,0,1,0,0|0,0,0]=2 370 B9R1.3 CN1CCCN(C)C1=O PI-34014 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,1,0,0|0,0,1]=3 379 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,1,0,0|0,0,1]=3 380 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,1,0,0|0,0,0]=2 381 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|0,0,0]=2 382 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,1,0,0|0,0,0]=2 383 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,1,0,0|0,0,0]=2 384 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,1,0,0|0,0,0]=2 386 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.37 CC1CC(C(=O)C1=O)C PI-47193 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [0,1,0,1,0,0|0,0,1]=3 389 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,1,0,1,0,0|0,0,0]=2 390 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,1,0,1,0,0|0,0,0]=2 391 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.1 COC1CCC(CC1)O PI-44528 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.21 COC1CCC(O1)OC PI-34102 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.118 CC1(CCNCC1)OC PI-43329 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.118 CC1(CCNCC1)OC PI-43330 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,1,0,1,0,0|1,1,0]=4 405 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,1,0,1,0,0|1,1,0]=4 406 B9R1.40 CC1(CNCCC1=O)C PI-50037 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,1,0,1,0,0|2,0,0]=4