0 B7R0.4 C#CCCCC(=O)O H43301 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(=O)CCCCBr B41532 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 CC(=O)OCCCBr B41266 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 CC(=O)OCCCCl C39190 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CC(C)CCCCBr B43898 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CCCCCB(O)O P38628 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCC[C@H](C)O H43947 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.4 CCCCOC(N)=O B39165 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCCOCC(=O)O P40387 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 CCOC=CC(=O)O E41226 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 CN(C)CCCCO D41621 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 CNCCCC(=O)O M63276 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.4 COCCCC(=O)O M67387 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 COCCNC(=N)N M37240 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 COCCNC(N)=O M36648 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.4 COC\C=C\C(=O)O M63576 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 C[C@H](O)CNCCO H40448 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 N#CCCCC(=O)O C41166 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 NC(=O)COCCCl C40247 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.4 O=C(O)CCCCBr B39187 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.4 O=C(O)CCCCCl C39191 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.4 O=C(O)CCCCO H37199 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.4 O=C(O)CNCCO H40270 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.4 O=C(O)COCCCl C40236 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.4 O=C([O-])CCCCO S41306 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CN(C)CCCBr B40430 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CN(C)CCCCl C69241 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CNCCN(C)C T41392 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 C#CCCCCI K43321 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.6 C#CCCCCO H41456 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.6 ClCCCCCBr B39164 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 FCCCCCBr B37978 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 ICCCCCI D24633 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 N#CCCCCBr B41217 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 N#CCCCCCl C69554 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 N#CCCCCN A6983 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|0,0,2]=3 77 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|0,0,2]=3 79 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.6 CNCCCC(=O)OC M43486 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.6 COC(=O)CCCCBr M41523 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.6 COC(=O)CCCCCl M63406 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.6 COC(=O)CCCCN M43490 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.6 COCCCC(=O)OC M68350 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.6 NCCCC[C@H](N)CO D43570 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.7 C#CCCCCC(=O)O H43713 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.7 C#CCOCCC(=O)O P43310 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.7 C=CCCCCC(=O)O H63383 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.7 CC(C)NCCCCO I38536 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.7 CCCCCCB(O)O H41623 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.7 CCNCCCN(C)C E11170 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.7 CN(C)CCOCCO D68347 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.7 COCCOCC(=O)O M37948 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.7 N=C(N)NCCCCN A37883 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.7 N=C(N)NCCCCN A41393 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,1,0,0,0,0|3,0,0]=4 105 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.21 CCCCCS(N)(=O)=O P29872 [0,1,0,0,0,0|2,0,0]=3 115 B8R0.21 CCCCOS(C)(=O)=O B69150 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.21 COCCOS(C)(=O)=O M39960 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.21 NCCCCP(=O)(O)O A69195 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.21 O=S(=O)(Cl)CCCCCl C40253 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.21 O=S(=O)(O)CCCCO H39961 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.28 C=C(C)CNCC(=C)C B47110 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,1,0,0,0,0|0,0,2]=3 122 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.28 CN(C)CCCC(=O)O D43497 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.1 COC1=CC(=O)CC1 M61379 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.1 COC1CCC(N)C1 M27196 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.4 CC1CC(N)CCO1 M26284 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.4 CC1CC(O)CCN1 M11589 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.4 CC1CC(O)CCO1 M14345 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.4 CC1CNCC(C)C1 D39299 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.4 CC1CNCC(C)N1 D4711 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,0,0,1,0,0|1,0,2]=4 184 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,0,0,1,0,0|1,0,2]=4 197 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,0|1,0,0]=2 200 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,0,0,1,0,0|1,0,2]=4 208 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,0,0,1,0,0|1,0,2]=4 211 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,1,0,0|1,0,2]=4 216 B8R1.4 NC1CCCC(O)C1 A24893 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.4 NC1CCCC(O)C1 A43477 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|1,0,1]=3 227 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.6 CCNC1CN(C)C1 A19743 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.6 CCOC1CC(N)C1 E15188 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.6 CN1CC(CCO)C1 M7516 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,1,0,0|0,0,0]=1 239 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.7 CC(O)C1CCNC1 P61134 [0,0,0,1,0,0|1,0,2]=4 243 B8R1.7 CN(C)[C@@H]1CCNC1 D41609 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.7 CN(C)[C@@H]1CCNC1 D43563 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.7 CN(C)[C@H]1CCNC1 D12657 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.7 CN(C)[C@H]1CCNC1 D15773 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.7 CN(C)[C@H]1CCNC1 D43562 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,0,0,1,0,0|1,0,1]=3 249 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,1,0,0|1,0,2]=4 263 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.7 OB(O)C1CCCC1 C2400 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,1,0,0|2,0,1]=4 286 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,1,0,0|2,0,1]=4 287 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|0,0,2]=3 288 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|1,0,0]=2 289 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.34 CC(=O)NC1CNC1 A1331 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.34 CC(=O)OC1CNC1 A41259 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.34 CC(=O)OC1CNC1 A43595 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.34 CC(=O)SC1CNC1 T12525 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.34 CN(C)CC1CNC1 A1328 [0,0,0,1,0,0|3,0,0]=4 307 B8R1.34 CN(C)CC1CNC1 D14761 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.34 CN(C)CC1CNC1 D14762 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,0|1,0,0]=2 311 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.34 O=[N+]([O-])CC1COC1 N6280 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|1,0,2]=4 315 B8R1.43 N#CC1CC1C(=O)O C24298 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.72 CC1(C)CCNCC1 D0628 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.72 CC1(F)CCNCC1 F43473 [0,0,0,1,0,0|2,0,1]=4 320 B8R1.72 CC1(N)CCOCC1 M10391 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.72 CC1(O)CCCCC1 M43886 [0,0,0,1,0,0|0,0,2]=3 322 B8R1.72 CC1(O)CCNCC1 H7439 [0,0,0,1,0,0|1,0,2]=4 323 B8R1.72 CC1(O)CCNCC1 M0127 [0,0,0,1,0,0|1,0,2]=4 324 B8R1.72 CC1(O)CCOCC1 M25219 [0,0,0,1,0,0|1,0,2]=4 325 B8R1.72 CC1(O)CCSCC1 M41569 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.72 C[Si]1(C)CCNCC1 D29603 [0,0,0,1,0,0|2,1,0]=4 329 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,0,0,1,0,0|3,0,0]=4 330 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,0,0,1,0,0|3,0,0]=4 333 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,0,0,1,0,0|3,0,0]=4 334 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.2 BrCCCCBr D69410 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 ClCCCCI C40239 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.2 ICCCCI D37834 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.2 NCCCCBr B39952 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.2 NCCCCN D39162 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,1]=4 359 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,1]=3 360 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.3 CCCCC(=O)NN P40425 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.3 COC(=N)CCCCl M40379 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,0]=3 373 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|0,0,1]=3 394 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.6 CC(=O)NNC(C)C P40426 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.8 CS(=O)(=O)CCCO M6981 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.1 BrCCCCCCBr D41534 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.1 C#CCCCCCO H67855 [1,1,0,0,0,0|0,0,2]=4 402 B7R0.1 C=CCCCCCBr B43831 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.1 C=CCCCCNC M43901 [1,1,0,0,0,0|0,0,1]=3 404 B7R0.1 C=CCCCCNC M46504 [1,1,0,0,0,0|0,0,1]=3 405 B7R0.1 CCCCCCCBr B43897 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.1 CCCCCCC[Mg+] H31707 [1,1,0,0,0,0|0,0,1]=3 407 B7R0.1 CCCCCN=[N+]=[N-] A1948 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.1 CNCCCCNC D41624 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.1 COCCOCCI K40420 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.1 COCCOCCN M38824 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.1 ClCCCCCCBr B39200 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.1 ClCCCCCCI C38559 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.1 ICCCCCCI D41535 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.1 NCCCCCCN H68834 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.1 NCCCCCCO A36606 [1,1,0,0,0,0|0,0,2]=4 416 B7R0.1 O=CCCCCC=O A3137 [1,1,0,0,0,0|0,0,1]=3 417 B7R0.1 OCCCCCCBr B41603 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.1 OCCCCCCCl C64682 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.1 OCCCCCCI I4468 [1,1,0,0,0,0|0,0,2]=4 420 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.7 COCC(N)COC D40447 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|0,0,1]=3 428 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,2,0,0,0,0|0,0,1]=3 434 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,2,0,0,0,0|1,0,1]=4 436 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|0,0,1]=3 437 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|0,0,2]=4 438 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|0,0,2]=4 439 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|1,0,0]=3 441 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|0,0,0]=2 444 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,2,0,0,0,0|1,0,0]=3 445 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.46 C=CC(=O)NCCCCO H43842 [0,2,0,0,0,0|1,0,1]=4 447 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|0,0,0]=2 449 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|0,0,0]=2 450 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|1,0,0]=3 453 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|1,0,0]=3 454 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|1,0,0]=3 455 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|1,0,0]=3 456 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,2,0,0,0,0|1,0,0]=3 457 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,2,0,0,0,0|1,0,0]=3 458 B9R0.2 CC(=O)OCCCCCBr B43861 [0,2,0,0,0,0|0,0,0]=2 459 B9R0.2 CC(C)NCCCCCO I38899 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|1,0,0]=3 461 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|1,0,0]=3 462 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|1,0,0]=3 463 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|1,0,0]=3 464 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.38 CCCCCCS(=O)(=O)[O-] S41600 [0,2,0,0,0,0|2,0,0]=4 466 B9R0.38 CCCCCCS(=O)(=O)[O-] S41601 [0,2,0,0,0,0|2,0,0]=4 467 B9R0.38 C[N+](C)(C)CCCCCBr B47213 [0,2,0,0,0,0|2,0,0]=4 468 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|1,0,1]=4 469 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|0,0,1]=3 470 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|1,0,1]=4 471 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,2,0,0,0,0|0,0,1]=3 472 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,2,0,0,0,0|0,0,1]=3 473 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,2,0,0,0,0|1,0,0]=3 475 B9R0.43 COC(CNC(C)=O)OC D41591 [0,2,0,0,0,0|2,0,0]=4 476 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.56 O=C(O)CCCC(F)(F)F T67007 [0,2,0,0,0,0|2,0,0]=4 478 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 479 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 480 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,0,0,1,0,0|1,0,1]=4 481 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 493 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,0]=3 494 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.3 C=C1CCNCC1 M19855 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|1,0,1]=4 504 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,0]=3 512 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.3 O=S1CCNCC1 T5787 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.5 CCC[C@@H]1ON1C M65450 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.10 N#CC1CC(=O)C1 X10543 [1,0,0,1,0,0|1,0,1]=4 521 B7R1.10 NCC1CC(=O)C1 SB7355 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.10 O=C1CC(CBr)C1 B11904 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|1,0,0]=3 524 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,0]=3 525 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|0,0,2]=4 535 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|0,0,0]=2 536 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.18 C[C@H](N)C1CCC1 C29990 [1,0,0,1,0,0|1,0,1]=4 538 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,0]=3 540 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|1,0,0]=3 543 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,0]=3 553 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|1,0,1]=4 554 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|1,0,0]=3 556 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|1,0,0]=3 557 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.1 CO[C@@H]1CCNC1 M0200 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.1 CO[C@@H]1CCNC1 M12251 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.1 CO[C@H]1CCNC1 M1159 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.1 CO[C@H]1CCNC1 M7459 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.1 FC[C@@H]1CCNC1 F60420 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|1,0,1]=4 566 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.1 NNC1CCCC1 C22580 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,2]=4 574 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,0]=2 575 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|1,0,1]=4 576 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|0,0,2]=4 577 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.4 CN1CCCC1=S M6872 [1,0,0,1,0,0|1,1,0]=4 588 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,0]=2 591 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 592 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.6 C=CCC1CNC1 P20750 [1,0,0,1,0,0|1,0,1]=4 605 B7R1.6 CCNC1COC1 E8452 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.6 CCOC1CNC1 E41322 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.6 CNCC1COC1 M8438 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.6 COCC1CNC1 A0186 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.6 COCC1CNC1 M1326 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.6 COC[C@@H]1CCN1 M11645 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.6 COC[C@@H]1CCN1 M20218 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.6 COC[C@H]1CCN1 M11646 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.6 COC[C@H]1CCN1 M14791 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|1,0,1]=4 615 B7R1.6 NNCC1CCC1 C17979 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.8 CN1CC[C@@H]1CN A14392 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.8 CN1CC[C@@H]1CN A14394 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.8 CN1CC[C@H]1CN A14393 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,0]=3 622 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,0]=3 624 B7R1.24 C1CNCCNC1 H67920 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.24 C1CNCCSC1 H6236 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|0,0,0]=2 628 B9R1.7 CCN[C@H]1CCN(C)C1 E11171 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.7 CN1CC[C@H](CCN)C1 M10321 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,1,0,1,0,0|1,0,0]=3 633 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.13 CN(C)C[C@@H]1CCCN1 D1126 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.13 CN(C)C[C@@H]1CCCN1 D14240 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.13 CN(C)C[C@H]1CCCN1 D11352 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.13 CN(C)C[C@H]1CCNC1 D1147 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|0,0,1]=3 654 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,1,0,0|1,0,1]=4 656 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|0,0,1]=3 674 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 675 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|0,0,0]=2 686 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,1,0,1,0,0|1,0,1]=4 687 B9R1.66 CN1CCC[C@](C)(N)C1 D17891 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|0,0,1]=3 689 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|0,0,0]=2 690 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,1,0,0|0,0,2]=4 691 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,1,0,1,0,0|1,0,1]=4 692 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.2 CC1CCCC(CO)N1 M13497 [0,1,0,1,0,0|1,0,1]=4 699 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.2 CN[C@H]1CCCN(C)C1 D63768 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|0,0,2]=4 709 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,1,0,0|0,0,1]=3 710 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|1,0,0]=3 714 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|0,0,2]=4 716 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|0,0,0]=2 721 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,1,0,0|1,0,0]=3 728 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|0,0,2]=4 729 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,1,0,0|0,0,2]=4 730 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|0,0,0]=2 731 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.49 CN1CCC[C@H](N)CC1 M0131 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|1,0,0]=3 746 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,0]=3 747 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|0,0,0]=2 748 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|0,0,0]=2 749 B9R1.79 COC(=O)CC1CNC1 M0406 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.79 COC(=O)CC1CNC1 M37284 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.79 COC(=O)CC1COC1 M0309 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.89 N#CC1CCCCCC1 C62451 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.118 CC1(C=O)CCOCC1 M29900 [0,1,0,1,0,0|1,0,1]=4 761 B9R1.118 NCC1(N)CCCCC1 A62273 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.118 NCC1(O)CCCCC1 A63077 [0,1,0,1,0,0|0,0,2]=4 763 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,1,0,0|0,0,0]=2 765 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,1,0,1,0,0|0,0,0]=2 766 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|0,0,0]=2 767 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.6 CN(C)C1CCNCC1 D23980 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.6 CN(C)C1CCNCC1 D46522 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.6 CN(C)C1CCNCC1 D46603 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.6 N=C(N)C1CCOCC1 T7867 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|1,0,0]=3 785 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|1,0,1]=4 788 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|1,0,0]=3 792 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|1,0,0]=3 805 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,1,0,1,0,0|0,0,2]=4 818 B9R1.148 O=S1(=O)CCCNCC1 T6238 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.110 CC(=O)N(C)C1CNC1 A1327 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|1,0,0]=3 882 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.10 CC1(C)CCC(N)CC1 D22258 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.10 CC1(C)CCC(O)CC1 D26593 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.10 CC1(O)CCC(N)CC1 A12148 [0,1,0,1,0,0|0,0,2]=4 900 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A15689 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A26537 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 A11689 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 M29578 [0,1,0,1,0,0|0,0,2]=4 904 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8199 [0,1,0,1,0,0|0,0,2]=4 905 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8200 [0,1,0,1,0,0|0,0,2]=4 906 B9R1.10 NC1CCS(=O)(=O)CC1 A6164 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.10 NC1CCS(=O)(=O)CC1 D11520 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.10 O=S1(=O)CCC(O)CC1 H40395 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,1,0,0|1,0,1]=4 910 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 D13934 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 M0287 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 M7248 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 M0202 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 M0288 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 M7249 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.19 O=S(=O)(O)C1CCCC1 C29755 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.114 O=S(=O)(Cl)CC1CCC1 C41269 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F D60171 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.170 O=C(O)C[C@H]1CC1(F)F D29570 [0,1,0,1,0,0|2,0,0]=4 922 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,0,0,2,0,0|1,0,1]=4 923 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|1,0,0]=3 924 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|1,0,0]=3 925 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|2,0,0]=4 926 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|0,0,2]=4 927 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,2,0,0|1,0,1]=4 928 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,2,0,0|1,0,1]=4 929 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|1,0,0]=3 930 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,2,0,0|0,0,0]=2 931 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 932 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|0,0,0]=2 933 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|1,0,0]=3 934 B9R2.41 O=C1CC(C2CC2)C1 C29950 [0,0,0,2,0,0|0,0,0]=2 935 B9R2.138 NC1CC2(CCC2)C1 S13493 [0,0,0,2,0,0|1,0,1]=4 936 B9R2.138 NC1CC2(CCC2)C1 S19527 [0,0,0,2,0,0|1,0,1]=4 937 B9R2.138 O=C1CC2(CCC2)C1 S10809 [0,0,0,2,0,0|0,0,0]=2 938 B9R2.138 O=C1CC2(CNC2)C1 A30076 [0,0,0,2,0,0|1,0,0]=3 939 B9R2.138 O=C1CC2(COC2)C1 X7169 [0,0,0,2,0,0|1,0,0]=3 940 B9R2.138 O=C1CC2(CSC2)C1 T11068 [0,0,0,2,0,0|1,0,0]=3 941 B9R2.138 OC1CC2(CCC2)C1 S29676 [0,0,0,2,0,0|0,0,2]=4 942 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,2,0,0|1,0,1]=4 943 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,2,0,0|1,0,1]=4 944 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|1,0,0]=3