0 B6R0.1 C=CC(=O)CCC H17062 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C=CC(O)CCN A15818 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCCC(N)CO A18883 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCC\C(N)=N/O H14022 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCO\C(C)=N/O H17707 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 COCC(N)CO A15709 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 COCC(O)CN A13295 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 COC[C@H](O)CN A15357 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 OCC[C@@H](O)CO B7203 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|0,0,1]=2 11 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.2 CNCCCN M14932 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 NCCCCO A18122 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 OCCCCBr B18469 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.3 C=C[C@H](N)CO A18275 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.3 CC(CN)CO A15437 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.2 CC(C)C[C@H](N)CO L2031 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.3 CCCCC(O)CN A13447 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.3 CCOCC(O)CN A15120 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.3 CSCC[C@@H](N)CO M6155 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.3 CSCC[C@H](N)CO M6160 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.5 C=CCC(C)C(=N)N M16881 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.5 C=CC[C@H](N)C(=O)O A15402 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.5 CCCC(N)C(=O)O N4933 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.5 NCCC(N)C(=O)O D14772 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.5 NCC[C@H](O)C(=O)O A7207 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.1 BrCC1CCCC1 B18461 [0,0,0,1,0,0|1,0,1]=3 39 B7R1.1 CCC1CCCN1 E15991 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 NCC1CCNC1 P13897 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 NC[C@H]1CCCO1 T11002 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 BrC1CCCNC1 B7611 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 CC1CCCCN1 M6451 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 CC1CCCNC1 P3032 [0,0,0,1,0,0|1,0,1]=3 49 B7R1.3 CC1CCNCC1 M11273 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 CN1CCCCC1 M3042 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 NC1CCCNC1 A11018 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 NC1CCCNC1 P19410 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 NC1CCCNC1 P7273 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 N[C@H]1CCCNC1 A11799 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.3 OC1CCCNC1 H6045 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.3 OC1CCCNC1 P11038 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.4 C=C1CCOC1=O M11697 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.4 CC1OCCC1S T12619 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.4 CN1CCN=C1S M3268 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.4 N[C@@H]1CONC1=O C5656 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.4 O=C1OCCC1Br B11067 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.25 NC1(CO)CCC1 A18988 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.25 NCC1(O)CCC1 A18983 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.25 NCC1(O)CCC1 A18983 [0,0,0,1,0,0|2,0,1]=4 76 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,0,1]=3 77 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|0,0,1]=3 78 B4R0.1 C[C@@H](Cl)CO C4812 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 C[C@@H](N)CN D1041 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 C[C@@H](N)CN D7317 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 C[C@@H](N)CO A1425 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.1 C[C@H](Cl)CO C4811 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 C[C@H](O)CN A5854 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 C[C@H](O)CO P6701 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 BrCCCBr D18864 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.2 NCCCCl C18780 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 NCCCO A18882 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.3 CC(C)[C@@H](N)CO A5893 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.3 CC(C)[C@H](N)CO V2118 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.3 CC(C)[C@H](N)CO V2118 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.3 CCC(N)C(=O)O A2780 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.3 CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.4 CCC#CC(C)O H5925 [1,1,0,0,0,0|0,0,2]=4 106 B6R0.4 CN(C)CCCN D2364 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 NCCCC(=O)O A19243 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.4 O=C(Cl)CCCCl C18875 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.6 CCCCCCBr S19038 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.8 C#CC(C)(N)CC A18277 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.8 C#CC(C)(N)CC A18277 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.8 C=CC(C)(O)CN A15003 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.8 C=CC(C)(O)CN A15003 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.8 CCC(C)(O)CN A14285 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|1,0,1]=4 116 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O A6306 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O H12777 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.5 CCCC(N)CC(=O)O A14453 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [0,2,0,0,0,0|1,0,1]=4 120 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [0,2,0,0,0,0|1,0,0]=3 122 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|1,0,0]=3 124 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.3 O=CC[C@H](O)[C@H](O)CO D2625 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.8 CCCCC(C)C(=O)Cl M12954 [0,2,0,0,0,0|0,0,0]=2 130 B8R0.8 CSCC[C@@H](N)C(=O)O M6093 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.8 NCCC[C@@H](N)C(=O)O O11124 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.8 NCCC[C@H](N)C(=O)O O2148 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.8 [C@@H](N)(CCSC)C(=O)O M1841 [0,2,0,0,0,0|1,0,0]=3 136 B8R0.12 CCC[C@@](C)(N)C(=O)O A15416 [0,2,0,0,0,0|0,0,0]=2 137 B8R0.22 C=CC(OCC)OCC A12759 [0,2,0,0,0,0|2,0,0]=4 138 B6R1.2 CC1CCNC1 M17094 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,1,0,0|1,0,0]=3 140 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,1,0,0|1,0,0]=3 141 B6R1.2 F[C@H]1CCNC1 F12344 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 N[C@@H]1CCNC1 A13883 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 N[C@@H]1CCNC1 P6035 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.2 N[C@H]1CCNC1 A6036 [1,0,0,1,0,0|2,0,0]=4 145 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,1,0,0|1,0,1]=4 154 B6R1.3 NCCC1CC1 C14004 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.10 CC1(C)COC1 D12729 [1,0,0,1,0,0|1,0,1]=4 156 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|0,0,1]=3 157 B6R1.11 O=C(O)C1CC1 C1203 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.4 CC1CNCC(C)C1 L11275 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.43 NCC1CC1C(=O)O A12911 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.2 BrCC1CCCCC1 B12603 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.2 BrCC1CCNCC1 B18444 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.2 BrCC1CCOCC1 B8153 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.2 CCC1CCCCN1 E3360 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.2 CNC1CCCCC1 M18798 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.2 CNC1CCCNC1 M8469 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.2 COC1CCCNC1 M14733 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.2 N#CC1CCCCN1 C18890 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.2 N#CC1CCCNC1 P12459 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.2 N#CC1CCNCC1 C3193 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.2 NCC1CCCCN1 A4969 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.2 NCC1CCCNC1 A18064 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.2 NCC1CCCNC1 A1819 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.2 NCC1CCNCC1 A10917 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.2 NCC1CCOCC1 A18185 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.2 O=NN1CCOCC1 N17202 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.2 OCC1CCCCN1 P11278 [0,1,0,1,0,0|0,0,2]=4 179 B8R1.2 OCC1CCCNC1 P11620 [0,1,0,1,0,0|0,0,2]=4 180 B8R1.2 OCC1CCNCC1 P11277 [0,1,0,1,0,0|0,0,2]=4 181 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.3 C[C@H]1CN[C@H](C)CN1 D3385 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.5 CC1CCCCC1N M11246 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|0,0,0]=2 186 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.22 CC1CCNCCN1 M15502 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.52 NC1(CO)CCCC1 A13348 [0,1,0,1,0,0|0,0,2]=4 193 B8R1.52 NCC1(O)CCCC1 A18984 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.7 N=C(N)C1CCCC1 C13017 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.7 N=C(N)N1CCCC1 P13915 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.7 O=C(O)C1CC=CC1 C3045 [0,1,0,1,0,0|0,0,2]=4 198 B8R1.7 O=C(O)C1CCCN1 P6294 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.7 O=C(O)C1CCNC1 P12835 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.7 O=C(O)C1CCOC1 T15197 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.54 N[C@H](C(=O)O)C1CC1 A12813 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.78 NC1(C(=O)O)CCC1 A12906 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.78 O=C(O)C1(O)CCC1 H17067 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.8 CCCC1CCCN1 P17208 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.11 C=CN1CCCC1=O P0980 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.11 CN1CCC[C@H]1CO M11607 [0,1,0,1,0,0|0,0,2]=4 214 B8R1.11 N#CC1CCCC1=O C17014 [0,1,0,1,0,0|0,0,1]=3 215 B8R1.11 O=C1CNCN1CO H13318 [0,1,0,1,0,0|2,0,0]=4