0 B7R0.1 C=CCCCOCCl C12942 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 CCCCCCBr S19038 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.6 ICCOCCI I12663 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.4 CCCCCC#CCBr B8552 [0,1,0,0,0,0|1,0,1]=3 4 B8R0.4 ClCCCOCCCCl C16437 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.4 ClCCCOCCCCl C16437 [0,1,0,0,0,0|2,0,0]=3 6 B8R0.6 CCCCC\C(N)=N/O H14018 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.7 CCCCCCC(=N)N H13000 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.7 CCCCCC[C@H](C)O O2182 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.2 BrCC1CCCCC1 B12603 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.2 BrCC1CCNCC1 B18444 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.2 BrCC1CCOCC1 B8153 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 CCC1CCCCN1 E3360 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.2 CCC1CNCCN1 E5557 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.2 CCC1CNCCO1 E17046 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.2 CNC1CCCCC1 M18798 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 CNC1CCCNC1 M8469 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 COC1CCCNC1 M14733 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 ClCN1CCCCC1 C5727 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 N#CC1CCCCN1 C18890 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 N#CC1CCCNC1 P12459 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 N#CC1CCNCC1 C3193 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 NCC1CCCCN1 A4969 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.2 NCC1CCCNC1 A18064 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 NCC1CCCNC1 A1819 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 NCC1CCNCC1 A10917 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 NCC1CCOCC1 A18185 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.2 NCC1CNCCO1 M17098 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.2 OCC1CCCCN1 P11278 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 OCC1CCCNC1 P11620 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 OCC1CCNCC1 P11277 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.2 OCC1CNCCN1 H17068 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 OCC1CNCCO1 H13089 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.2 OC[C@H]1CNCCO1 H16873 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 CC1CCCCC1N M11246 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.5 CC1CNCCC1=O M11274 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.5 CC1CNCCC1=O M19160 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.5 CC1NCCNC1C D17036 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.8 BrCCC1OCCO1 B8236 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.8 CCCC1CCCN1 P17208 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.8 CNCC1CCNC1 M17103 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.8 ClCCN1CCCC1 C7818 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.8 OCC[C@@H]1CCCN1 P17212 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.11 CC1CNCC1CN M13842 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.11 CN1CCC[C@H]1CO M11607 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 CC1CCNCCN1 M15502 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.22 CN1CCCNCC1 M3447 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.22 NC1CCCCNC1 A18228 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.36 CCCNCC1CC1 P2232 [0,0,0,1,0,0|2,0,0]=3 53 B5R0.2 CNCCCN M14932 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 NCCCCO A18122 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.2 OCCCCBr B18469 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.3 CCCCC(O)CN A13447 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.3 CCCC\C(N)=N/O H14021 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.3 CCOCC(O)CN A15120 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.3 CSCC[C@@H](N)CO M6155 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.3 CSCC[C@H](N)CO M6160 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.4 CC(=O)CCCCCl C18888 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.4 CCCCCC(=N)N H14019 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.7 COCC(Cl)COC C16846 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.7 COCC(N)COC A13333 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.7 COCC(O)COC D12731 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.18 CCOCC(N)COCC E17053 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.2 CCCCCCCC(=N)N O13890 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.45 NCCNCCNCCN T19127 [0,2,0,0,0,0|2,0,0]=4 69 B9R0.45 OCCCCCCCCBr B18489 [0,2,0,0,0,0|0,0,0]=2 70 B9R0.46 C=CCCCCC(O)CN A13474 [0,2,0,0,0,0|0,0,2]=4 71 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,2,0,0,0,0|0,0,1]=3 72 B9R0.46 CCCCOCC(O)CN A13314 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.1 CC(C)COCC(O)CN A14681 [0,2,0,0,0,0|2,0,0]=4 74 B9R0.47 NCCCCC(N)C(=O)O L0399 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.47 NCCCC[C@@H](N)C(=O)O H8309 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.47 NCCCC[C@H](N)C(=O)O L6200 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.47 NCCCC[C@H](N)C(=O)O L6279 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.47 NCCCC[C@H](N)C(=O)O L6356 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.1 BrCC1CCCC1 B18461 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.1 CCC1CCCN1 E15991 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.1 NCC1CCNC1 P13897 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 NC[C@H]1CCCO1 T11002 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.1 OC[C@@H]1CCCN1 P2200 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.3 BrC1CCCCN1 B7610 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 BrC1CCCNC1 B7611 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 CC1CCCCN1 M6451 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 CC1CCCNC1 P3032 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 CC1CCNCC1 M11273 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 CN1CCCCC1 M3042 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 CN1CCNCC1 M12431 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.3 CN1CCOCC1 C2066 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 C[C@@H]1CNCCN1 R6055 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C[C@H]1CCCCN1 M3041 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.3 ClC1CCNCC1 C7399 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 FC1CCNCC1 F12346 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 NC1CCCNC1 A11018 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 NC1CCCNC1 P19410 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 NC1CCCNC1 P7273 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 NC1CCNCC1 A2317 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 NC1CCNCC1 A8187 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 NC1CCOCC1 A16695 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 NC1CCOCC1 T11516 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 NN1CCCCC1 A3686 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 N[C@@H]1CCCNC1 A3658 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 N[C@H]1CCCNC1 A11799 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 OC1CCCNC1 H6045 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 OC1CCCNC1 P11038 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 OC1CCNCC1 H0402 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 OC1CCNCC1 H0402 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.3 OC1CCNCC1 H5175 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 O[C@H]1CCCNC1 P3031 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.4 CC1OCCC1S T12619 [1,0,0,1,0,0|1,1,0]=4 119 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.2 CCN1CCCC(O)C1 E3028 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.2 CN1CCCC(CO)C1 H5357 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.7 NCC[C@H]1CC[C@@H](O)C1 A13699 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.8 ClCCC1CCCCN1 C7479 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.8 ClCCN1CCCCC1 C8353 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.8 NCCC1=CCCCC1 C3468 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.8 NCCC1CCCCN1 A13370 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.8 NCCC1CCCNC1 A13371 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.8 NCCC1CNCCO1 A13319 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.8 NCCN1CCOCC1 A3467 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.8 O=C=NC1CCCCC1 C18906 [0,1,0,1,0,0|0,0,2]=4 134 B9R1.8 OCCC1CCCCN1 P6153 [0,1,0,1,0,0|0,0,0]=2 135 B9R1.8 [NH3+]CCC1CC[NH2+]CC1 A13112 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.12 CCCCC1CCCN1 B15289 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.12 CCNCC1CCNC1 E17049 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.12 OCCCC1CCCN1 P17209 [0,1,0,1,0,0|0,0,0]=2 139 B9R1.15 OCC1CNCCC1O H17376 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O D6630 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.33 CN1CCCC1CCCl C3647 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.33 CN1CCCC1CCN A18680 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.14 CCN1CCCC1CN A3386 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.14 CCN1CCC[C@@H]1CN A18149 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.14 CCN1CCC[C@H]1CN A18150 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.14 CCN1CCC[C@H]1CN P6764 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.89 O\N=C1/CCCNCC1 A14415 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.1 CN1CCC(CO)CC1 M7329 [0,1,0,1,0,0|1,0,0]=3 149 B9R1.11 NC(CO)C1CCOC1 A15414 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.11 N\C(=N/O)C1CCCC1 H13016 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.118 C#CC1(C)CCCCC1 E19301 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.118 CC1(CBr)CCCCC1 B16961 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.118 CC1(CCl)CCCCC1 C17007 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.118 CC1(CN)CCCCC1 A15223 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.118 CC1(CO)CCCCC1 H12662 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.118 NC1(CO)CCCCC1 A18987 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.118 NC1(CO)CCOCC1 A15413 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.118 NCC1(O)CCCCC1 A18986 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.6 N=C(N)C1CCCCC1 C13019 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.6 O=C(O)C1CCCCC1 C18818 [0,1,0,1,0,0|0,0,1]=3 161 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.6 O=C(O)C1CCCCN1 P4996 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.6 O=C(O)C1CCCNC1 P4047 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.6 O=C(O)C1CCNCC1 P1046 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.6 O=C(O)C1CCOCC1 T11054 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.13 O=C(O)CC1CCCN1 P4464 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.13 O=C(O)C[C@@H]1CCCN1 H17104 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.13 O=C(O)C[C@H]1CCNC1 P14085 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.41 CC1CNCC1C(=O)O M13281 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.41 CN(C)C1COCC1O H11722 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.41 NC1CCCC1C(=O)O A14514 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O A3768 [0,1,0,1,0,0|1,0,1]=4 178 B9R2.24 BrC1C2CCC1NC2 B14138 [0,0,0,2,0,0|2,0,0]=4