0 B6R0.4 C=CCCC(=N)N P16910 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 CCC#CC(C)O H5925 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 CCCCB(O)O B0514 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 CC\C=C\C(=N)N P16911 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CN(C)CCCN D2364 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 COCCC(=N)N M13848 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 N=C(N)NCCS M17502 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 NCCCC(=O)O A19243 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 O=C(Cl)CCCCl C18875 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 O=C([O-])CNCO S17161 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|0,0,0]=1 11 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 COCC(=N)N M13846 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CSCC(=N)N M13847 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 N#CCC(N)=O C0404 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CNCCCN M14932 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 NCCCCO A18122 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.2 OCCCCBr B18469 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.2 CCC(N)CC(=O)O A14449 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.2 CCC(N)CC(=O)O A18198 [0,1,0,0,0,0|0,0,0]=1 23 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [0,1,0,0,0,0|0,0,0]=1 24 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,0,0,0,0|0,0,0]=1 25 B7R0.2 NC[C@@H](O)CC(=O)O A2622 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 N[C@H](CO)CC(=O)O A12916 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.3 CCCCC(O)CN A13447 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.3 CCCC\C(N)=N/O H14021 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.3 CCOCC(O)CN A15120 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.3 COC(=O)\C=C\CBr M1565 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.3 COCC\C(N)=N/O H13784 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.3 CSCC[C@@H](N)CO M6155 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.3 CSCC[C@H](N)CO M6160 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.3 N\C(CCCBr)=N\O B13671 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.4 C=CCNCC(=O)O A18405 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.4 CC(=O)CCCCCl C18888 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.4 CCCCCC(=N)N H14019 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.4 CCOCCC(=N)N E14098 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.4 N=C(N)CCCCCl C16515 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.4 O=C(Cl)CCCCBr B9001 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 C=CC[C@H](N)C(=O)O A15402 [0,1,0,0,0,0|0,0,2]=3 44 B7R0.5 CCCC(N)C(=O)O N4933 [0,1,0,0,0,0|0,0,0]=1 45 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.5 NCCC(N)C(=O)O D14772 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 NCC[C@H](O)C(=O)O A7207 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.6 CC(=O)CNC(C)=O O12675 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.6 CN(C)CCC(=N)N D13681 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,1,0,0,0,0|1,0,1]=3 60 B7R1.2 CN1CCC(O)C1 P6737 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.3 CC1CCCCN1 M6451 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 CN1CCCCC1 M3042 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 NN1CCCCC1 A3686 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,1,0,0|1,0,1]=3 75 B7R1.3 O=C1CCNCC1 P3649 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.3 O=C1CCNCC1 P7276 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 O=C1CCOCC1 T11055 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 O=C1CNCCN1 P12440 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 OC1CCCNC1 H6045 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 OC1CCCNC1 P11038 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 OC1CCNCC1 H0402 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.3 OC1CCNCC1 H0402 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.3 OC1CCNCC1 H5175 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.18 N=C(N)C1CCC1 C13015 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.18 O=C(O)C1CCN1 A19377 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.20 O=C(O)CC1CC1 C2235 [0,0,0,1,0,0|0,0,0]=1 97 B4R0.1 CCC(=N)N P12993 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 BrCCCBr D18864 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 NCCCCl C18780 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.2 NCCCO A18882 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.2 NNCCO H13045 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.1 C=CC(=O)CCC H17062 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.1 CCCC(N)CO A18883 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 CCC\C(N)=N/O H14022 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.1 CCO\C(C)=N/O H17707 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.1 CNCC(=O)OC M5408 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.1 COC\C(N)=N/O H13783 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.1 N\C(CCCl)=N/O C13124 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.1 N\C(CCO)=N/O D13760 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.2 C(C(=O)O)N(C)C D18801 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(C)=CC(=O)O D18784 [1,1,0,0,0,0|0,0,2]=4 116 B6R0.2 CC(C)CC(=N)N M13844 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 CCC(C)C(=N)N M13845 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 CCC(N)C(=O)O A2780 [1,1,0,0,0,0|0,0,0]=2 119 B6R0.3 CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|0,0,0]=2 120 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 NCC(N)C(=O)O D14331 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 NCC(N)C(=O)O D14332 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.3 NC[C@H](N)C(=O)O A18206 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.3 NC[C@H](O)C(=O)O I4023 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.3 N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.3 N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.3 N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.3 N[C@H](CO)C(=O)O S5985 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.3 N[C@H](CS)C(=O)O C6089 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.5 NCCS(=O)(=O)O T13277 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.6 CCCCCCBr S19038 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|0,0,1]=3 135 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O A6306 [0,2,0,0,0,0|0,0,0]=2 136 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O H12777 [0,2,0,0,0,0|0,0,0]=2 137 B8R0.5 C=CC[C@H](N)CC(=O)O A15403 [0,2,0,0,0,0|0,0,1]=3 138 B8R0.5 CCCC(N)CC(=O)O A14453 [0,2,0,0,0,0|0,0,0]=2 139 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [0,2,0,0,0,0|0,0,1]=3 141 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [0,2,0,0,0,0|0,0,1]=3 142 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [0,2,0,0,0,0|0,0,0]=2 144 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [0,2,0,0,0,0|0,0,0]=2 145 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|0,0,0]=2 146 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|0,0,0]=2 147 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [0,2,0,0,0,0|1,0,1]=4 149 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|1,0,0]=3 155 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.6 CCCCC\C(N)=N/O H14018 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.8 CCCCC(C)C(=O)Cl M12954 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.8 CSCC[C@@H](N)C(=O)O M6093 [0,2,0,0,0,0|0,0,0]=2 159 B8R0.8 NCCC[C@@H](N)C(=O)O O11124 [0,2,0,0,0,0|0,0,0]=2 160 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|0,0,0]=2 161 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|0,0,0]=2 162 B8R0.8 NCCC[C@H](N)C(=O)O O2148 [0,2,0,0,0,0|0,0,0]=2 163 B8R0.8 [C@@H](N)(CCSC)C(=O)O M1841 [0,2,0,0,0,0|0,0,0]=2 164 B8R0.9 CN(C)CC\C(N)=N/O D13682 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,2,0,0,0,0|0,0,1]=3 166 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,2,0,0,0,0|0,0,1]=3 167 B8R0.9 NCC(=O)NCC(=O)O G0812 [0,2,0,0,0,0|1,0,1]=4 168 B8R0.7 CC(=O)OCCOCCl A15221 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.7 CCCCCCC(=N)N H13000 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.7 CCCCCC[C@H](C)O O2182 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [0,2,0,0,0,0|0,0,1]=3 172 B8R0.28 O=C(O)CCCC(=O)O G18793 [0,2,0,0,0,0|0,0,1]=3 173 B8R0.12 CCC[C@@](C)(N)C(=O)O A15416 [0,2,0,0,0,0|0,0,0]=2 174 B8R0.29 CC(C)(C)[NH2+]CC(=O)Cl B12779 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.29 CC(C)(C)[NH2+]CC(=O)O B13229 [0,2,0,0,0,0|1,0,0]=3 176 B8R0.29 CC(C)(N)CNC(N)=O A17904 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.29 CC(C)(N)CNC(N)=O A17905 [0,2,0,0,0,0|2,0,0]=4 178 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|1,0,0]=3 182 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.11 O=C(O)C1CC1 C1203 [1,0,0,1,0,0|0,0,0]=2 184 B6R1.1 C1COCCN1 M12430 [1,0,0,1,0,0|1,0,1]=4 185 B6R1.6 OCC1CNC1 A19210 [1,0,0,1,0,0|1,0,1]=4 186 B6R1.6 OC[C@@H]1CCN1 A19140 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,1,0,0|0,0,2]=4 188 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.40 N\C(=N/O)NC1CC1 C14314 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.43 NCC1CC1C(=O)O A12911 [0,1,0,1,0,0|0,0,0]=2 197 B8R1.2 N#CC1=CCCCO1 D16193 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.2 OCC1CCCCN1 P11278 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.3 CN1CCC(=O)CC1 M3185 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.3 NC1CCC(O)CC1 A0964 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.3 O=C1CCC(O)CC1 H15821 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.38 COC(=O)C1CCN1 M19139 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.38 N\C(=N/O)C1CCC1 H13014 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.52 NC1(CO)CCCC1 A13348 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.52 NCC1(O)CCCC1 A18984 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.7 N=C(N)C1CCCC1 C13017 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.7 N=C(N)N1CCCC1 P13915 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.7 O=C(O)C1CC=CC1 C3045 [0,1,0,1,0,0|0,0,1]=3 220 B8R1.7 O=C(O)C1CCCN1 P6294 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.7 O=C(O)C1CCNC1 P12835 [0,1,0,1,0,0|0,0,0]=2 222 B8R1.7 O=C(O)C1CCOC1 T15197 [0,1,0,1,0,0|0,0,0]=2 223 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|0,0,0]=2 226 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|0,0,0]=2 227 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|0,0,0]=2 228 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|0,0,0]=2 229 B8R1.72 O=S1(=O)CCNCC1 T1545 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [0,1,0,1,0,0|0,0,1]=3 231 B8R1.54 N[C@H](C(=O)O)C1CC1 A12813 [0,1,0,1,0,0|0,0,0]=2 232 B8R1.78 NC1(C(=O)O)CCC1 A12906 [0,1,0,1,0,0|0,0,0]=2 233 B8R1.78 O=C(O)C1(O)CCC1 H17067 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.77 CC1(C)CC1C(=O)O D2248 [0,1,0,1,0,0|0,0,0]=2 235 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [0,1,0,1,0,0|0,0,0]=2 236 B8R1.77 CC1(C)C[C@@H]1C(N)=O D2247 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O P2502 [0,1,0,1,0,0|2,0,0]=4