0 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCCC(=O)NN PI-50263 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 COC(=O)CCC#C PI-39349 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 COC(=O)CCC=O PI-48276 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 COC(=O)CCCBr PI-44980 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=O)CCCN PI-42165 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 COC(=O)CCSC PI-45979 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)CNC=O PI-33232 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 COCCC(=O)NN PI-50294 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 O=C(OC)CCNC PI-40057 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 C(C(=O)NCO)Cl PI-29429 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 C(CS)C(=O)NN PI-50543 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CC#CC(=O)OC PI-48956 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCCC(=O)NN PI-23070 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCCC(=O)SC PI-48512 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 CCCC(CO)O PI-13556 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 CNCC(=O)OC PI-45586 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 COC(=O)CCN PI-31148 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 COCC(=O)NN PI-50354 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 NNC(OCC)=O PI-28515 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 O=C(OC)CCO PI-41038 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 B(CCCC)(O)O PI-16470 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 C#CCCC(=O)O PI-30018 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(NCCS)=O PI-37034 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC=CCC(=O)O PI-47130 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.4 CCCNC(=O)N PI-19783 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 CCNCC(=O)O PI-43211 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 CN(C)CCCCl PI-50389 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CN(C)CCCO PI-31996 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CNCCN(C)C PI-39257 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CSCCC(=O)O PI-31992 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 ClCCCN(C)C PI-34098 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 NCCCC(=O)O PI-35917 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 OCCCC(=O)C PI-13555 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 C(CCN)CCN PI-46858 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 C(CCO)CCCl PI-44261 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 C(CCS)CCS PI-11006 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 CCNCCC#N PI-19315 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 ClCCCCCBr PI-10753 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.1 CCOCC(C)OCC PI-44418 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.6 CCCCNC(=S)NN PI-23055 [0,1,0,0,0,0|2,1,0]=4 82 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,1,0,0,0,0|0,0,1]=2 87 B8R0.11 CCN(CC)CCCCl PI-41189 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,1,0,0,0,0|0,0,1]=2 89 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.19 CCC(SC(CC)C)C PI-39261 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.25 CCCC[Si](C)(C)OC PI-22928 [0,1,0,0,0,0|2,1,0]=4 97 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 CN1CCC(C1)CN PI-23405 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.2 BrCC1CCCCC1 PI-33021 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 C1CCC(CC1)CI PI-44086 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 C1CCNC(C1)CO PI-11061 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.2 CCC1CNCCN1 PI-40004 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 CCN1CCNCC1 PI-33488 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 NCC1CCCCC1 PI-34207 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 NCC1CCCCN1 PI-11059 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 OCC1CCCCC1 PI-15325 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.3 C1CC(CCC1N)O PI-10861 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.3 C1CC(CCC1N)O PI-45759 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.3 C1CC(CCC1O)O PI-47036 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,0|0,0,0]=1 120 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,1,0,0|1,0,1]=3 122 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,1,0,0|1,0,1]=3 123 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.3 CN1CCC(CC1)Cl PI-12517 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.3 CN1CCC(CC1)Cl PI-16023 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.3 CN1CCC(CC1)N PI-14111 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.3 CN1CCC(CC1)O PI-43240 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.3 CN1CCN(N)CC1 PI-14898 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,1,0,0|0,0,2]=3 130 B8R1.3 NC1CCC(CC1)N PI-37998 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.3 NC1CCC(CC1)O PI-17554 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,0|1,0,1]=3 136 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.5 CC1=NCCCN1C PI-44800 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.5 CC1=NCCCN1C PI-44822 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.5 CC1CNCCC1=O PI-43304 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.5 CC1CNCCC1O PI-43324 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.5 NC1CCCCC1O PI-17286 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.5 O=C1CCCCC1=O PI-20909 [0,0,0,1,0,0|1,0,1]=3 156 B8R1.5 O=C1CCOCC1F PI-39023 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.5 O=C1NCCCC1O PI-41426 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|0,0,2]=3 160 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|1,0,0]=2 161 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,0,0,1,0,0|1,0,2]=4 171 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,0,0,1,0,0|1,0,1]=3 172 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.52 CCC1(CCCC1)O PI-37576 [0,0,0,1,0,0|0,0,2]=3 174 B8R1.52 CC[N+]1(C)CCCC1 PI-36564 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.52 NCC1(O)CCCC1 PI-36161 [0,0,0,1,0,0|1,0,2]=4 176 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 181 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 184 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 185 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.2 C(CCBr)CCl PI-15812 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.2 C(CCBr)CN PI-46910 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.2 C(CCS)CS PI-11005 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.2 FCCCCBr PI-14440 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.3 CNC(=O)CCl PI-39443 [2,0,0,0,0,0|2,0,0]=4 220 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.5 CCOC(=O)C(Br)F PI-13394 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.5 CCOC(=O)C(F)F PI-24421 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.5 CCOC(=O)C(F)I PI-49445 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.7 CCCC(=O)OCCl PI-36667 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|0,1,1]=4 243 B7R0.7 CCOC(=O)C#CC PI-22064 [1,1,0,0,0,0|0,0,2]=4 244 B7R0.7 CCOC(=O)COC PI-50353 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.7 CCOC(=O)CSC PI-39857 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.7 CNCC(=O)OCC PI-30682 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.7 NCCC(=O)OCC PI-33213 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.7 OCCC(=O)OCC PI-39562 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.10 COC(=O)C(CCl)N PI-28403 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.10 COC(=O)C(CCl)N PI-39772 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.10 COC(=O)C(CCl)N PI-41755 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)C(CO)N PI-11634 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.10 COC(=O)C(CO)O PI-42716 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.10 COC(=O)C(CS)N PI-15751 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.4 C#CCCCC(O)=O PI-37286 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|0,0,0]=2 272 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|0,0,2]=4 273 B7R0.4 CCCCNC(=S)N PI-23056 [1,1,0,0,0,0|1,1,0]=4 274 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|1,1,0]=4 275 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.4 CN(C)CCCCN PI-23376 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.4 CNCCCN(C)C PI-19630 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.4 COCCOC(=O)C PI-12910 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|0,0,1]=3 283 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.6 CC(C)CCC(C)N PI-49380 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.6 CC(C)CCC(C)O PI-30803 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,1,0,0,0,0|0,0,2]=4 289 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [1,1,0,0,0,0|1,1,0]=4 291 B7R0.1 C(CCCBr)CCO PI-39099 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.1 C(CCCCl)CCCl PI-44616 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.1 C(CCCS)CCO PI-40491 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.1 C(CCCS)CCS PI-35928 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|1,0,0]=3 297 B7R0.1 CCCSSCCC PI-48483 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.1 COCCCCCBr PI-50168 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.1 OCCCCCCCl PI-37141 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.1 OCCCCCCN PI-40365 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|0,0,0]=2 302 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|0,0,1]=3 304 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.18 CCCNC(=S)NCCC PI-19378 [0,2,0,0,0,0|1,1,0]=4 312 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,2,0,0,0,0|0,0,1]=3 320 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|0,0,0]=2 321 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.27 CCC(=O)C(C(=O)OC)F PI-36598 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.27 OC[C@@H]([C@H](C(=O)CO)O)O PI-39160 [0,2,0,0,0,0|2,0,0]=4 332 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|0,0,2]=4 336 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.7 CC(C)COC(=O)C(C)Cl PI-15308 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.7 CC(CNC(=O)C(=C)C)O PI-19313 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,2,0,0,0,0|0,0,1]=3 345 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,2,0,0,0,0|0,0,1]=3 346 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,2,0,0,0,0|0,0,1]=3 347 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.26 COC(=O)CC(OC)OC PI-37580 [0,2,0,0,0,0|2,0,0]=4 349 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|0,0,2]=4 353 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.3 C=C1CCNCC1 PI-41106 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.22 C1CC1C(=O)NN PI-17834 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.14 CC1(O)CCCC1 PI-36469 [1,0,0,1,0,0|0,0,2]=4 397 B7R1.14 C[Si]1(CCCC1)C PI-45650 [1,0,0,1,0,0|1,1,0]=4 398 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|1,0,0]=3 400 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|1,0,0]=3 406 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|2,0,0]=4 408 B9R1.2 CCN1CCCC(C1)N PI-35816 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.2 CCN1CCCC(C1)O PI-43238 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.8 BrCCC1CCCCC1 PI-17338 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.8 C1CCC(=CC1)CC#N PI-40142 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.8 C1CCN(CC1)CCCl PI-16415 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.8 CCCC1CCCCN1 PI-18460 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.8 COCC1CCCCN1 PI-43215 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.8 COCC1CCCCN1 PI-43325 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [0,1,0,1,0,0|0,0,1]=3 420 B9R1.15 CN1CCCCC1CO PI-43934 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 COC1CCCCC1=O PI-28180 [0,1,0,1,0,0|0,0,0]=2 422 B9R1.27 CCC1=C(CNC1=O)C PI-16775 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.33 NCCN1CCNC1=O PI-15901 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|0,0,1]=3 426 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|0,0,0]=2 428 B9R1.49 CN1CCCC(CC1)O PI-48280 [0,1,0,1,0,0|0,0,2]=4 429 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|0,0,0]=2 430 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,1,0,0|0,0,2]=4 431 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [0,1,0,1,0,0|0,0,0]=2 433 B9R1.134 CCC[N+]1(CCCC1)C PI-45709 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.134 CCC[N+]1(CCCC1)C PI-45710 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.134 CCC[N+]1(CCCC1)C PI-45711 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.3 CN1CCCN(C)C1=O PI-34014 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [0,1,0,1,0,0|0,0,1]=3 438 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|0,0,1]=3 453 B9R1.37 CC1CC(C(=O)C1=O)C PI-47193 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|0,0,0]=2 459 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|0,0,0]=2 460 B9R1.1 CCN1CCC(CC1)N PI-43175 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.1 CCN1CCC(CC1)O PI-43308 [0,1,0,1,0,0|0,0,2]=4 462 B9R1.1 CNC1CCN(CC1)C PI-38560 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|0,0,0]=2 464 B9R1.1 COC1CCC(CC1)O PI-44528 [0,1,0,1,0,0|0,0,2]=4 465 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|0,0,0]=2 466 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|0,0,1]=3 467 B9R1.1 OCC1CCN(C)CC1 PI-27324 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.89 C1CNCCN(C1)C=O PI-34065 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.118 CCC1(O)CCCCC1 PI-29293 [0,1,0,1,0,0|0,0,2]=4 470 B9R1.118 CC[N+]1(CCOCC1)C PI-42071 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.118 CC[N+]1(CCOCC1)C PI-45713 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.40 CC1(CNCCC1=O)C PI-50037 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.10 CN1CCS(=O)(=O)CC1 PI-17614 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.10 NC1CCS(=O)(=O)CC1 PI-36390 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.10 NC1CC[S](CC1)(=O)=O PI-40193 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.10 O=C1COC(OC1)(C)C PI-35873 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.10 O=[S]1(CCC(CC1)=O)=O PI-40194 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,1,0,1,0,0|2,0,0]=4 489 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,2,0,0|0,0,2]=4 490 B9R2.49 C1CN2CCC1CC2 PI-38154 [0,0,0,2,0,0|2,0,0]=4