0 B22R1.706962 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(CCCC1(C)C)C MCULE-2591910021 [0,0,0,0,0,0|0,0,0]=0 1 B22R1.706962 CC(=CC=CC(=CC(=O)[O-])C)C=CC1=C(CCCC1(C)C)C MCULE-6412460325 [0,0,0,0,0,0|0,0,1]=1 2 B22R1.706962 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C MCULE-9871118009 [0,0,0,0,0,0|0,0,0]=0 3 B22R1.706962 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C MCULE-4313077074 [0,0,0,0,0,0|0,0,0]=0 4 B22R1.706962 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C/C(=C/C(=O)O)/C)/C MCULE-7634624655 [0,0,0,0,0,0|0,0,0]=0 5 B21R1.7257402 C/C(=C\C=O)/C=C/C=C(\C)/C=C/C1C(CCCC1(C)C)C MCULE-2998696158 [1,0,0,0,0,0|0,0,2]=3 6 B21R1.7257402 CC(=CC=CC(=CCO)C)C=CC1=C(CCCC1(C)C)C MCULE-6524977881 [1,0,0,0,0,0|0,0,1]=2 7 B21R1.7257402 CC(=CC=CC(C)CCO)C=CC1=C(CCCC1(C)C)C MCULE-8134950567 [1,0,0,0,0,0|0,0,3]=4 8 B21R1.7257402 CC(=CC=O)C=CC=C(C)C=CC1=C(CCCC1(C)C)C MCULE-1539700449 [1,0,0,0,0,0|0,0,0]=1 9 B21R1.7257402 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C MCULE-5383443260 [1,0,0,0,0,0|0,0,0]=1 10 B21R1.7257402 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C MCULE-4951251283 [1,0,0,0,0,0|0,0,1]=2 11 B21R1.7257402 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C MCULE-5663544643 [1,0,0,0,0,0|0,0,1]=2 12 B21R1.7257402 CC1=C(C(CCC1)(C)C)CC/C(=C/C=C/C(=C/C=O)/C)/C MCULE-6773881712 [1,0,0,0,0,0|0,0,2]=3 13 B23R1.8152110 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(=O)CCC1(C)C)C MCULE-2158295420 [0,1,0,0,0,0|0,0,1]=2 14 B23R1.8152110 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(CCC1(C)C)O)C MCULE-2049394784 [0,1,0,0,0,0|0,0,0]=1 15 B23R1.8152110 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C MCULE-9719790836 [0,1,0,0,0,0|0,0,1]=2 16 B23R1.8152110 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C\C(=C/C(=O)O)\C)/C MCULE-8071809927 [0,1,0,0,0,0|0,0,1]=2 17 B20R1.1689275 C=C/C(=C/C=C/C(=C/C=C\1/C(=CCCC1(C)C)C)/C)/C MCULE-6193213791 [2,0,0,0,0,0|0,0,1]=3 18 B20R1.1689275 C=CC(=CC=CC(=CC=C1C(=CCCC1(C)C)C)C)C MCULE-8243990065 [2,0,0,0,0,0|0,0,1]=3 19 B22R1.2093792 CC(=CC=CC(=CC=NO)C)C=CC1=C(CCCC1(C)C)C MCULE-6210603025 [1,1,0,0,0,0|0,0,0]=2 20 B22R1.11012933 C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C[C@H](CC1(C)C)O)C MCULE-7465676826 [1,1,0,0,0,0|1,0,0]=3 21 B22R1.11012933 CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C MCULE-5032144470 [1,1,0,0,0,0|0,0,0]=2 22 B24R1.8295573 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(=NO)CCC1(C)C)C MCULE-6531280126 [0,2,0,0,0,0|0,0,1]=3 23 B24R1.23706433 COC(=O)/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C MCULE-7362950114 [0,2,0,0,0,0|0,0,1]=3 24 B24R1.23706433 COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=O)CCC1(C)C)C MCULE-3470024288 [0,2,0,0,0,0|0,0,1]=3 25 B24R2.841005789 CC(=CC=CC(=CC(=O)O)C)C=CC12OC1(CCCC2(C)C)C MCULE-4223726507 [0,0,0,1,0,1|0,0,2]=4 26 B24R1.17208932 CC(=O)OC/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C MCULE-8751707087 [0,0,0,0,0,2|1,0,0]=3 27 B24R1.17208932 CC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C MCULE-2797068826 [0,0,0,0,0,2|1,0,0]=3 28 B24R1.17208932 CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C MCULE-3222341524 [0,0,0,0,0,2|1,0,0]=3