0 B8R0.6 CCCC=CC(=O)OC M43802 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 CCCCCC(=O)CBr B43868 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 CNCCCC(=O)OC M43486 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.6 COC(=O)CCCCBr M41523 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 COC(=O)CCCCCl M63406 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 COC(=O)CCCCN M43490 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 COC(=O)COCCCl M41275 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.6 COCCCC(=O)OC M68350 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 CCCCC(=O)NN P40425 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCCOC(=O)OC M40388 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.3 CNCCC(=O)OC M40412 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 COC(=N)CCCCl M40379 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 COC(=O)C=CCBr M37461 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.3 COC(=O)CCCBr M39189 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.3 COC(=O)CCCCl M60517 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.3 COC(=O)CCCN M32376 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 COC(=O)CNC=O M40228 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 COC(=O)\C=C\CBr M41176 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.3 COC=CC(=O)OC M39186 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.3 CO\C=C\C(=O)OC M41228 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.4 CCOC=CC(=O)O E41226 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 COC\C=C\C(=O)O M63576 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.4 O=C(O)CNCCO H40270 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 O=C(O)COCCCl C40236 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|0,0,3]=4 34 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|0,0,3]=4 35 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,0|1,0,2]=4 36 B9R0.5 CCC=CCC(=O)OCC E47083 [0,1,0,0,0,0|0,0,0]=1 37 B9R0.5 CCCC=CC(=O)OCC E47082 [0,1,0,0,0,0|0,0,2]=3 38 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.5 CCOC(=O)COCCCl E41531 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.5 CCOC=CC(=O)OCC E43814 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,1,0,0,0,0|0,0,2]=3 44 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.24 COC(=O)NNC(=N)CCl M40245 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|0,0,1]=2 48 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.46 COC(=O)CCCCCN M67967 [0,1,0,0,0,0|0,0,2]=3 53 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.5 CN1CCCNCC1=O M1178 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.5 CN1CCNCCC1=O M41536 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.5 CN1CCNCCC1=O M43468 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,0,1,0,0|0,0,2]=3 62 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,0,0,1,0,0|1,0,2]=4 66 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,0,0,1,0,0|0,0,2]=3 68 B9R1.11 COC(=O)C1=CNC=C1 M37783 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,0,0,1,0,0|0,0,2]=3 71 B9R1.11 COC(=O)C1CCCC1 M43805 [0,0,0,1,0,0|0,0,2]=3 72 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,0,0,1,0,0|1,0,1]=3 73 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,0,0,1,0,0|1,0,1]=3 74 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,0,0,1,0,0|1,0,1]=3 76 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,0,0,1,0,0|1,0,1]=3 77 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,0,0,1,0,0|1,0,1]=3 78 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,0,0,1,0,0|1,0,1]=3 79 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,0,0,1,0,0|1,0,1]=3 80 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,0,0,1,0,0|1,0,1]=3 81 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,0,0,1,0,0|1,0,1]=3 82 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,0,0,1,0,0|1,1,1]=4 83 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|1,0,2]=4 84 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.79 COC(=O)C=C1COC1 M5786 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.79 COC(=O)CC1CNC1 M0406 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.79 COC(=O)CC1CNC1 M37284 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.79 COC(=O)CC1COC1 M0309 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.81 COC(=O)C1CNC1C M21134 [0,0,0,1,0,0|1,0,1]=3 90 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,0,0,1,0,0|1,0,2]=4 91 B9R1.88 COC(=O)C1CC1CN M27272 [0,0,0,1,0,0|1,0,2]=4 92 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.89 COC1=NCCCCC1 M43840 [0,0,0,1,0,0|1,0,2]=4 94 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.6 C\C=C\C=C\CO H69109 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.1 C#CCC(=O)OC M41116 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 98 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 COC(=O)CC#N M68915 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.1 COC(=O)\C=C/Br B3417 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.1 COC(=O)\C=C/I I2748 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.1 COC(=O)\C=C\I M40173 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 110 B6R0.4 C=C\C=C/C(=O)O P41118 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 COC=CC(C)=O M41222 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 O=C(O)\C=C\CBr B37272 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,1,0,0,0,0|0,0,2]=4 120 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|0,0,1]=3 121 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|0,0,1]=3 122 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.9 COC(=O)CCC(=O)O M37827 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|0,0,1]=3 132 B8R0.19 CNC(C)=CC(=O)OC M41506 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.19 COC(=O)CC(=O)CCl M61620 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.19 COC(=O)\C=C(/C)OC M5601 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|0,0,2]=4 138 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [1,1,0,0,0,0|0,0,2]=4 139 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.5 CCOC(=O)CC(N)=O E38643 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,1,0,0,0,0|0,0,2]=4 142 B10R0.44 COC(=O)CC(=O)CC(C)=O M43730 [0,2,0,0,0,0|0,0,2]=4 143 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|0,0,1]=3 144 B10R0.59 COC(=O)C=CCC(=O)OC D43729 [0,2,0,0,0,0|0,0,1]=3 145 B10R0.59 COC(=O)CNCC(=O)OC D43461 [0,2,0,0,0,0|1,0,1]=4 146 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,2,0,0,0,0|0,0,2]=4 147 B10R0.1 CCOC(=O)CCCCCO E47160 [0,2,0,0,0,0|0,0,2]=4 148 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|0,0,1]=3 149 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|0,0,2]=4 150 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|1,0,0]=3 151 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|1,0,0]=3 152 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [0,2,0,0,0,0|0,0,2]=4 154 B10R0.91 CCCCCC(=O)OCCC P50580 [0,2,0,0,0,0|0,0,2]=4 155 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,2,0,0,0,0|1,0,0]=3 156 B10R0.46 C=C(CC(=O)OC)C(=O)OC D69582 [0,2,0,0,0,0|1,0,0]=3 157 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,2,0,0,0,0|1,0,1]=4 160 B10R0.18 C#CCCC(=O)CC(=O)OC M61281 [0,2,0,0,0,0|0,0,2]=4 161 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|0,0,1]=3 162 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,2,0,0,0,0|2,0,0]=4 163 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,2,0,0,0,0|0,0,2]=4 164 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|0,0,2]=4 166 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|0,0,2]=4 167 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [1,0,0,1,0,0|0,0,2]=4 168 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [1,0,0,1,0,0|0,0,2]=4 169 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 COC1=CC(=O)CC1 M61379 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 COC1=CC(=O)NC1 M41169 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.3 CC1CCC(=O)CC1 M39288 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.3 O=C1COC(=O)CO1 D40112 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.38 COC(=O)C1CNC1 M5857 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.38 COC(=O)C1COC1 M15764 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|0,0,1]=3 186 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|0,0,2]=4 194 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,1,0,0|0,0,2]=4 195 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,1,0,0|0,0,2]=4 197 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|0,0,2]=4 198 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.34 O=C(O)C=C1CCC1 C10691 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|0,0,2]=4 218 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [1,0,0,1,0,0|0,0,2]=4 219 B10R1.14 COC(=O)C1=CC(=O)CC1 M46257 [0,1,0,1,0,0|0,0,1]=3 220 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,1,0,1,0,0|0,0,2]=4 221 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,1,0,1,0,0|0,0,2]=4 222 B10R1.14 COC(=O)C1=NN(C)C=C1 M29732 [0,1,0,1,0,0|1,0,1]=4 223 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,1,0,0|0,0,2]=4 224 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,1,0,0|0,0,2]=4 225 B10R1.14 COC(=O)N1CCC(=O)C1 M43388 [0,1,0,1,0,0|1,0,1]=4 226 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 M66564 [0,1,0,1,0,0|0,0,0]=2 227 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,1,0,1,0,0|1,0,1]=4 228 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,1,0,0|0,0,1]=3 229 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M10758 [0,1,0,1,0,0|1,0,0]=3 230 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M6847 [0,1,0,1,0,0|1,0,0]=3 231 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,1,0,0|0,0,2]=4 232 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,1,0,0|0,0,2]=4 233 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,1,0,0|0,0,2]=4 234 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,1,0,0|0,0,2]=4 235 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 M5245 [0,1,0,1,0,0|1,0,1]=4 236 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,1,0,0|0,0,1]=3 240 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,1,0,0|0,0,1]=3 241 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 M63312 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,1,0,0|0,0,2]=4 243 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,1,0,0|0,0,2]=4 244 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,1,0,0|0,0,2]=4 245 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,1,0,0|1,0,1]=4 247 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,1,0,0|1,0,1]=4 248 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,1,0,1,0,0|0,0,2]=4 249 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,1,0,1,0,0|1,0,1]=4 251 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,1,0,1,0,0|1,0,1]=4 253 B10R1.130 CCCC1=CC(=O)O[C@@H]1O H43725 [0,1,0,1,0,0|0,0,2]=4 254 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|0,0,2]=4 255 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,1,0,0|0,0,2]=4 256 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,1,0,1,0,0|0,0,2]=4 257 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,1,0,1,0,0|0,0,2]=4 258 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,1,0,1,0,0|0,0,2]=4 259 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,1,0,1,0,0|0,0,2]=4 260 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,1,0,1,0,0|0,0,2]=4 261 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,1,0,1,0,0|0,0,2]=4 262 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,1,0,1,0,0|0,0,2]=4 263 B10R1.15 COC(=O)N1CCNCC1 M62366 [0,1,0,1,0,0|1,0,1]=4 264 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,1,0,0|0,0,2]=4 265 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,1,0,0|0,0,2]=4 266 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,1,0,0|0,0,2]=4 267 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|0,0,2]=4 268 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [0,1,0,1,0,0|0,0,2]=4 269 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [0,1,0,1,0,0|0,0,2]=4 270 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,1,0,0|1,0,1]=4 271 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,1,0,0|1,0,1]=4 276 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [0,1,0,1,0,0|0,0,2]=4 278 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [0,1,0,1,0,0|0,0,2]=4 279 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [0,1,0,1,0,0|0,0,2]=4 280 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,1,0,0|1,0,1]=4 281 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.411 COC(=O)C1(N)CCCC1 M24481 [0,1,0,1,0,0|0,0,2]=4 285 B10R1.411 COC(=O)C1(O)CCCC1 M29915 [0,1,0,1,0,0|0,0,2]=4 286 B10R1.411 COC(=O)[C@@]1(C)CCCN1 M15317 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.411 COC(=O)[C@@]1(C)CCNC1 M16615 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.411 COC(=O)[C@@]1(C)CCOC1 M13225 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.411 COC(=O)[C@]1(C)CCCN1 M11864 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.411 COC(=O)[C@]1(C)CCCO1 M11684 [0,1,0,1,0,0|1,0,1]=4 291 B10R1.411 COC(=O)[C@]1(N)CCOC1 A13191 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,1,0,1,0,0|0,0,2]=4 294 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [0,1,0,1,0,0|0,0,2]=4 295 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [0,1,0,1,0,0|0,0,2]=4 296 B10R1.134 COC(=O)CC(=O)C1CC1 C12469 [0,1,0,1,0,0|0,0,1]=3 297 B10R1.149 COC(=O)C1=C(C)C=CN1 M11830 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,1,0,1,0,0|0,0,2]=4 299 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,1,0,1,0,0|0,0,2]=4 300 B10R1.149 COC(=O)C1=C(C)OC=C1 M63405 [0,1,0,1,0,0|0,0,2]=4 301 B10R1.149 COC(=O)C1=C(C)SC=C1 M46248 [0,1,0,1,0,0|0,0,2]=4 302 B10R1.149 COC(=O)C1=CC=NN1C M21904 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.149 COC(=O)C1=CN=CN1C M11451 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.149 COC(=O)C1=CNC=C1C M23532 [0,1,0,1,0,0|0,0,2]=4 305 B10R1.149 COC(=O)C1=NC=CN1C M13998 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,1,0,0|0,0,1]=3 307 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [0,1,0,1,0,0|0,0,2]=4 308 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.149 COC(=O)[C@@H]1COCC1=O M1625 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O M27104 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O M30155 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.149 COC(=O)[C@@H]1SCCC1=O M38166 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [0,1,0,1,0,0|0,0,2]=4 314 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [0,1,0,1,0,0|0,0,2]=4 315 B10R1.149 COC(=O)[C@H]1COC[C@H]1N M19435 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O M15055 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M13329 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M15059 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.256 CCC1=C(C)C(=O)NC1=O E32183 [0,1,0,1,0,0|2,0,0]=4