0 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,0|1,0,1]=2 3 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,0,0,0|1,0,3]=4 5 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,0,0,0,0,0|1,0,1]=2 6 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [0,0,0,0,0,0|0,1,3]=4 7 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,0,0,0|0,0,3]=4 8 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,0,0,0|1,0,2]=4 9 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,0,0,0|2,0,1]=4 10 B6R1.1 C1CSSSC1 HMDB0040452 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [1,0,0,0,0,0|0,0,3]=4 12 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [1,0,0,0,0,0|0,0,3]=4 13 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [1,0,0,0,0,0|0,0,3]=4 14 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,0,0,0|0,0,2]=3 16 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,0,0,0|0,0,0]=1 17 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,0,0,0|1,0,1]=3 18 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,0,0,0|0,0,2]=3 19 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,0,0,0|0,0,2]=3 20 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,0,0,0|0,0,1]=2 21 B8R1.5 OC1=CC=COC1=O HMDB0032994 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [0,0,1,0,0,0|0,0,0]=1 24 B6R0.1 CCC(=O)CSC HMDB0037193 [0,0,1,0,0,0|1,0,1]=3 25 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,1,0,0,0|1,0,1]=3 26 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,1,0,0,0|1,0,1]=3 27 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,1,0,0,0|2,0,1]=4 28 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,1,0,0,0|0,0,2]=3 29 B6R0.1 CCOC(=O)C=C HMDB0033978 [0,0,1,0,0,0|1,0,0]=2 30 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,1,0,0,0|1,0,1]=3 31 B6R0.1 COC(=O)CSC HMDB0035646 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 CSS(=O)/C=C\C HMDB0032746 [0,0,1,0,0,0|2,0,0]=3 34 B6R0.4 C/C=C\SS(C)=O HMDB0032747 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.4 CC(=O)OCCN HMDB0038394 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,1,0,0,0|1,0,0]=2 37 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,1,0,0,0|1,0,1]=3 38 B6R0.4 CCCOC(C)=O HMDB0034237 [0,0,1,0,0,0|1,0,1]=3 39 B6R0.4 CCCSC(C)=O HMDB0033856 [0,0,1,0,0,0|1,0,1]=3 40 B6R0.4 CCOCC(O)=O HMDB0031212 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.4 CSCCC(O)=O HMDB0001527 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,1,0,0,0|1,0,1]=3 44 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [0,0,1,0,0,0|0,0,2]=3 46 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,0,1,0,0,0|0,0,2]=3 47 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,0,1,0,0,0|0,0,2]=3 48 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.6 C=CCCN=C=S HMDB0033867 [0,0,1,0,0,0|1,1,1]=4 50 B6R0.6 C=CCSCC=C HMDB0036491 [0,0,1,0,0,0|2,0,0]=3 51 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,0,1,0,0,0|0,0,2]=3 52 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,1,0,0,0|0,0,2]=3 54 B6R0.6 CCC/C=C\C=O HMDB0040264 [0,0,1,0,0,0|0,0,0]=1 55 B6R0.6 CCC=CCC=O HMDB0031497 [0,0,1,0,0,0|0,0,2]=3 56 B6R0.6 CCCC=CC=O HMDB0031496 [0,0,1,0,0,0|0,0,0]=1 57 B6R0.6 CCCCOC=O HMDB0040575 [0,0,1,0,0,0|1,0,1]=3 58 B6R0.6 CCCCON=O HMDB0031329 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.6 CCCS/C=C/C HMDB0040244 [0,0,1,0,0,0|2,0,0]=3 60 B6R0.6 CSCCCC=O HMDB0037474 [0,0,1,0,0,0|1,0,1]=3 61 B6R0.6 O=CCCCC=O HMDB0029599 [0,0,1,0,0,0|1,0,0]=2 62 B6R1.2 CC1=CC=CN1 HMDB0033114 [0,0,0,0,1,0|2,0,1]=4 63 B6R1.2 CC1=CC=CS1 HMDB0033118 [0,0,0,0,1,0|2,0,1]=4 64 B6R1.2 CC1=CCCS1 HMDB0033565 [0,0,0,0,1,0|2,0,0]=3 65 B6R1.2 CC1=COCC1 HMDB0040584 [0,0,0,0,1,0|2,0,0]=3 66 B6R1.2 CC1=CSC=C1 HMDB0033119 [0,0,0,0,1,0|2,0,1]=4 67 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,0,1,0|3,0,0]=4 68 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,0,1,0|1,0,1]=3 69 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,0,1,0|1,0,2]=4 70 B6R1.2 CC1CNC=C1 HMDB0033529 [0,0,0,0,1,0|2,0,1]=4 71 B6R1.2 CC1COC=C1 HMDB0037788 [0,0,0,0,1,0|2,0,1]=4 72 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,0,1,0|0,0,1]=2 73 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,0,1,0|1,0,0]=2 74 B6R1.2 O=C1CCON1 HMDB0039426 [0,0,0,0,1,0|2,0,0]=3 75 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,0,1,0|1,0,1]=3 76 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,1,0|1,0,0]=2 77 B6R1.2 S=C1SSC=C1 HMDB0035702 [0,0,0,0,1,0|2,1,0]=4 78 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,1,0|1,1,1]=4 79 B6R1.2 SC1CCCC1 HMDB0039771 [0,0,0,0,1,0|0,1,2]=4 80 B6R1.2 SC1CCCS1 HMDB0040250 [0,0,0,0,1,0|1,1,1]=4 81 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,1,0,0,0|1,0,0]=3 82 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,1,0,0,0|1,0,0]=3 83 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,1,0,0,0|2,0,0]=4 84 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,1,0,0,0|0,0,2]=4 85 B5R0.1 CC(=O)CCS HMDB0041015 [1,0,1,0,0,0|1,0,1]=4 86 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,1,0,0,0|1,0,1]=4 87 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,1,0,0,0|2,0,0]=4 89 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,1,0,0,0|0,0,1]=3 91 B5R0.1 CCCC(N)=O HMDB0033870 [1,0,1,0,0,0|1,0,0]=3 92 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,1,0,0,0|1,0,0]=3 93 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,1,0,0,0|1,0,0]=3 94 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,1,0,0,0|1,0,0]=3 95 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,1,0,0,0|2,0,0]=4 96 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,1,0,0,0|2,0,0]=4 97 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,1,0,0,0|1,0,0]=3 98 B5R0.1 CSCC(C)=O HMDB0040170 [1,0,1,0,0,0|1,0,1]=4 99 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,1,0,0,0|2,0,0]=4 100 B5R0.1 OC(=O)CCS HMDB0041604 [1,0,1,0,0,0|2,0,0]=4 101 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,1,0,0,0|0,0,2]=4 102 B5R0.2 C=CCCC=O HMDB0032458 [1,0,1,0,0,0|0,0,0]=2 103 B5R0.2 CC/C=C/SC HMDB0038892 [1,0,1,0,0,0|1,0,0]=3 104 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,1,0,0,0|0,0,0]=2 105 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,1,0,0,0|0,0,2]=4 106 B5R0.2 CCCCC=O HMDB0031206 [1,0,1,0,0,0|0,0,1]=3 107 B5R0.2 CCCOC=O HMDB0040253 [1,0,1,0,0,0|1,0,0]=3 108 B5R0.2 CCSSC=C HMDB0033052 [1,0,1,0,0,0|2,0,0]=4 109 B5R0.2 CSCCC=O HMDB0031857 [1,0,1,0,0,0|1,0,1]=4 110 B5R0.2 CSS/C=C\C HMDB0041391 [1,0,1,0,0,0|2,0,0]=4 111 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,1,0,0,0|2,0,0]=4 112 B5R0.3 C/C=C(\C)CO HMDB0034465 [1,0,1,0,0,0|2,0,0]=4 113 B5R0.3 CC/C(C)=C/S HMDB0040347 [1,0,1,0,0,0|2,0,0]=4 114 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,1,0,0,0|0,0,0]=2 115 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,1,0,0,0|1,0,1]=4 116 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,1,0,0,0|1,0,0]=3 117 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,1,0,0,0|1,0,0]=3 118 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,1,0,0,0|0,0,2]=4 119 B5R0.3 COC(=O)C=C HMDB0033977 [1,0,1,0,0,0|1,0,0]=3 120 B5R0.3 COC(=O)OC HMDB0029580 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,1,0,0,0|1,0,1]=4 122 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,1,0,0,0|1,0,1]=4 123 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,1,0,0,0|1,0,1]=4 125 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [0,1,1,0,0,0|0,0,1]=3 127 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,1,0,0,0|0,0,2]=4 128 B7R0.3 CCC(=O)SCC=C HMDB0037493 [0,1,1,0,0,0|0,0,2]=4 129 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,1,0,0,0|0,0,2]=4 130 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,1,0,0,0|0,0,2]=4 132 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,1,0,0,0|1,0,1]=4 133 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,1,0,0,0|0,0,1]=3 134 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,1,0,0,0|1,0,1]=4 137 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,1,0,0,0|1,0,0]=3 138 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,1,0,0,0|2,0,0]=4 139 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,1,0,0,0|0,0,0]=2 140 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,1,0,0,0|0,0,2]=4 141 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,1,0,0,0|0,0,0]=2 142 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,1,1,0,0,0|1,0,1]=4 143 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,1,0,0,0|1,0,1]=4 144 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,1,0,0,0|0,0,1]=3 145 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,1,0,0,0|1,0,1]=4 146 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,1,1,0,0,0|1,0,1]=4 148 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,1,1,0,0,0|0,0,1]=3 149 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [0,1,1,0,0,0|0,0,0]=2 150 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,1,0,0,0|0,0,2]=4 151 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,1,1,0,0,0|1,0,0]=3 152 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,1,0,0,0|0,0,0]=2 153 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,1,0,0,0|1,0,0]=3 154 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,1,0,0,0|1,0,1]=4 155 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,1,0,0,0|0,0,2]=4 156 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,1,0,0,0|0,0,2]=4 157 B7R0.4 CCOCC=C(C)C HMDB0038052 [0,1,1,0,0,0|1,0,1]=4 158 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,1,0,0,0|1,0,0]=3 159 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,1,1,0,0,0|0,0,2]=4 160 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,1,1,0,0,0|0,0,0]=2 161 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,1,1,0,0,0|1,0,0]=3 162 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,1,0,0,0|0,0,2]=4 163 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,1,1,0,0,0|1,0,1]=4 164 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,1,1,0,0,0|1,0,1]=4 166 B7R0.1 C=CCCCN=C=S HMDB0034300 [0,1,1,0,0,0|0,1,1]=4 167 B7R0.1 C=CCSSCC=C HMDB0033966 [0,1,1,0,0,0|2,0,0]=4 168 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,1,1,0,0,0|0,0,2]=4 169 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,1,1,0,0,0|0,0,2]=4 170 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,1,0,0,0|1,0,1]=4 171 B7R0.1 CCCC/C=C/C=C HMDB0040966 [0,1,1,0,0,0|1,0,0]=3 172 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,1,1,0,0,0|0,0,0]=2 173 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,1,0,0,0|1,0,1]=4 174 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,1,0,0,0|0,0,2]=4 175 B7R0.1 CCCCCOC=O HMDB0040327 [0,1,1,0,0,0|0,0,2]=4 176 B7R0.1 CCCSS/C=C\C HMDB0041392 [0,1,1,0,0,0|2,0,0]=4 177 B7R1.1 O=CC1=CC=CN1 HMDB0036057 [0,1,0,0,1,0|1,0,1]=4 178 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,1,0,0,1,0|1,0,1]=4 179 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,1,0,0,1,0|1,0,1]=4 180 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,1,0,0,1,0|1,0,1]=4 181 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,0,1,0|1,0,1]=4 182 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,0,1,0|0,0,0]=2 183 B7R1.2 CC1=CC(S)CS1 HMDB0039791 [0,1,0,0,1,0|2,0,0]=4 184 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [0,1,0,0,1,0|1,1,0]=4 185 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,0,1,0|1,0,0]=3 186 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [0,1,0,0,1,0|1,0,0]=3 187 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,1,0,0,1,0|1,0,0]=3 188 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,1,0,0,1,0|1,0,0]=3 189 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [0,1,0,0,1,0|1,0,1]=4 190 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,1,0,0,1,0|1,1,0]=4 191 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [0,1,0,0,1,0|1,1,0]=4 192 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,0,1,0|0,0,0]=2 193 B7R1.4 CC1CCOC1=O HMDB0035143 [0,1,0,0,1,0|1,0,0]=3 194 B7R1.4 CC1OCCC1=O HMDB0031178 [0,1,0,0,1,0|1,0,1]=4 195 B7R1.4 CC1SCCC1=O HMDB0038556 [0,1,0,0,1,0|1,0,1]=4 196 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,0,1,0|1,0,0]=3 197 B7R1.4 SC1COCC1=O HMDB0039786 [0,1,0,0,1,0|1,0,1]=4 198 B9R1.48 O=C1CCCCC(=O)O1 HMDB0040732 [0,1,0,0,0,1|0,0,1]=3 199 B9R1.2 COC1=CC(=O)OCC1 HMDB0033517 [0,2,0,0,0,0|1,0,0]=3 200 B9R1.6 CC(=O)C1=CSCCN1 HMDB0034882 [0,2,0,0,0,0|2,0,0]=4 201 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,2,0,0,0,0|1,0,1]=4 202 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [0,2,0,0,0,0|1,0,1]=4 203 B9R1.10 CC1(O)CCC(=O)C=C1 HMDB0033629 [0,2,0,0,0,0|0,0,0]=2 204 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,2,0,0,0,0|1,0,1]=4 205 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,2,0,0,0,0|0,0,0]=2 207 B9R1.3 CC1CCCC(=O)C1=O HMDB0034080 [0,2,0,0,0,0|0,0,1]=3 208 B9R1.34 CC1CC(O)CC(=O)O1 HMDB0033302 [0,2,0,0,0,0|1,0,1]=4 209 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [0,0,1,1,0,0|1,0,1]=4 210 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,1,1,0,0|2,0,0]=4 211 B5R1.1 C1CC=CS1 HMDB0033875 [1,0,0,0,1,0|1,0,0]=3 212 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,0,1,0|1,0,1]=4 213 B5R1.1 N1C=CC=C1 HMDB0035924 [1,0,0,0,1,0|1,0,1]=4 214 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,1,0|1,0,1]=4