0 B13R1.388 CCOC1=C(C=C(C=C1)C=CC)O E101501 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.388 CCOC1=CC(=C(C=C1)OCC)Cl C170771 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.388 CCOC1=CC(=C(C=C1)OCC)N D107760 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.114 CCOC1=C(C=C(C=C1)C=O)Br B153187 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl C479728 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.116 CCCC1=CC=C(C=C1)CCC D155020 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.116 CCOC1=CC=C(C=C1)N=C=S E300790 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.116 CCOC1=CC=C(C=C1)OCC D155736 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.288 COC1=C(C=C(C=C1)CCN)O H185776 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl C170766 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [2,0,0,0,0,0|0,0,0]=2 11 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [2,0,0,0,0,0|0,0,0]=2 12 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [2,0,0,0,0,0|0,0,0]=2 13 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [2,0,0,0,0,0|0,0,0]=2 14 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [2,0,0,0,0,0|0,0,1]=3 15 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [2,0,0,0,0,0|0,0,2]=4 17 B11R1.83 CCOC1=CC=C(C=C1)C#C E156344 [2,0,0,0,0,0|0,0,2]=4 18 B11R1.83 CCOC1=CC=C(C=C1)C#N E156327 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.83 CCOC1=CC=C(C=C1)C=C E477029 [2,0,0,0,0,0|0,0,0]=2 20 B11R1.83 CCOC1=CC=C(C=C1)C=O E137923 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.83 CCOC1=CC=C(C=C1)CCl C194480 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [2,0,0,0,0,0|0,0,2]=4 26 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [2,0,0,0,0,0|0,0,2]=4 27 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [2,0,0,0,0,0|1,0,1]=4 28 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.279 CC1=C(C=CC(=C1)C=O)OC M133647 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.279 CC1=C(C=CC(=C1)OC)OC D155374 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.279 COC1=C(C=C(C=C1)C#N)O H184992 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.279 COC1=C(C=C(C=C1)C=O)Br B133393 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl C153252 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.279 COC1=C(C=C(C=C1)C=O)F F122618 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.279 COC1=C(C=C(C=C1)C=O)I I168830 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.279 COC1=C(C=C(C=C1)C=O)O I113433 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.279 COC1=C(C=C(C=C1)CN)O H170289 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.279 COC1=C(C=C(C=C1)CO)O I157468 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.279 COC1=CC(=C(C=C1)OC)Br B101643 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.279 COC1=CC(=C(C=C1)OC)Cl C132830 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.279 COC1=CC(=C(C=C1)OC)F D123994 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.279 COC1=CC(=C(C=C1)OC)N D111647 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.279 COC1=CC(=C(C=C1)OC)O D191676 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.279 COC1=CC(=C(C=C1)OC)S D101795 [2,0,0,0,0,0|1,1,0]=4 46 B11R1.192 C=CCC1=CC(=C(C=C1)O)O A151341 [2,0,0,0,0,0|0,0,2]=4 47 B11R1.192 CCCC1=CC(=C(C=C1)O)O P588420 [2,0,0,0,0,0|0,0,2]=4 48 B13R1.95 CCC(=O)C1=C(C=C(C=C1)OC)O H156891 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.144 CCOC1=C(C=C(C=C1)C(=O)O)Cl C168572 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.653 C1=CC(=C(C=C1C=O)O)OC(F)F D131994 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC E156509 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.139 CCOC1=CC=C(C=C1)C(=O)OC M137124 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O E137247 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C P109420 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C P119536 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N E156210 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 P407878 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.35 CC(=O)NC1=CC(=C(C=C1)OC)N A136984 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O H124469 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.386 CC=CC1=CC(=C(C=C1)OC)OC M101498 [1,1,0,0,0,0|0,0,0]=2 61 B13R1.386 CNCC1=CC(=C(C=C1)OC)OC D304240 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.386 COC1=C(C=C(C=C1)CC=C)OC M101449 [1,1,0,0,0,0|0,0,2]=4 63 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Br M133815 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Cl M170014 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)F M133676 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)I M158187 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N M120338 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)O M136715 [1,1,0,0,0,0|1,0,0]=3 69 B15R1.594 CC=CC1=CC(=C(C=C1)OC(=O)C)OC I109778 [0,2,0,0,0,0|0,0,1]=3 70 B13R2.57 C1COC2=C(O1)C=CC(=C2)C#N D182405 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.57 C1COC2=C(O1)C=CC(=C2)C=O E156097 [1,0,0,1,0,0|1,0,0]=3 72 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN D182101 [1,0,0,1,0,0|1,0,1]=4 73 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 I300010 [1,0,0,1,0,0|1,0,1]=4 74 B13R2.599 COC1=C(C=C2C=CNC2=C1)Br B587697 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.599 COC1=C(C=C2C=CNC2=C1)Cl C590666 [1,0,0,1,0,0|2,0,0]=4 76 B15R2.2220 CCCC1=C(C2=C(C=CC=N2)C=C1)O H157234 [0,1,0,1,0,0|1,0,1]=4 77 B15R2.1601 COC(=O)C1=CC2=C(C=C1)NCCO2 M190884 [0,1,0,1,0,0|2,0,0]=4 78 B15R2.1601 COC(=O)C1=CC2=C(C=C1)OCCN2 D186445 [0,1,0,1,0,0|2,0,0]=4