0 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 M16881 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 COC1=CC(CCO)=CC=C1O M24097 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 COc1cc(CCN)ccc1O M19566 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.286 COc1cc(CCN)ccc1O M21424 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 M19297 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.189 COc1cccc(CCN)c1 M21105 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 C=Cc1ccc(O)c(OC)c1 M21316 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.280 COC1=C(O)C=CC(CN)=C1 M15732 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.280 COC1=C(O)C=CC(CO)=C1 M14667 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.280 COC1=CC(C=O)=CC=C1O M10798 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 M14356 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.49 COc1cc(C(O)CN)ccc1O M19734 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 M18398 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 M19264 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 M16669 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.386 COc1ccc(CCN)cc1OC M28605 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.386 C\C=C\c1ccc(OC)c(OC)c1 M20366 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 M18564 [0,1,0,0,0,0|0,0,1]=2 22 B13R1.575 COc1cc(\C=C\C=O)ccc1O M29292 [0,1,0,0,0,0|0,0,1]=2 23 B13R1.575 COc1cc(\C=C\CO)ccc1O M18563 [0,1,0,0,0,0|0,0,2]=3 24 B10R1.1 N#CCc1ccc(O)cc1 M22659 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.1 NCCc1ccc(O)cc1 M18703 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.1 NCCc1ccc(O)cc1 M21102 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.1 OCCc1ccc(O)cc1 M18667 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.30 CCc1nc(C)ccc1O M21129 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 CCc1nc(C)ccc1O M22196 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=CC(C)=CC=C1O M24986 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.438 COc1cccc(CC(=O)O)c1 M22652 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.1123 NCCc1cc(O)c(O)cc1O M22428 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.1123 NCCc1cc(O)c(O)cc1O M22559 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.56 COC1=CC(C(C)C)=CC=C1C M29379 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.56 COc1cc(C(=O)O)ccc1O M19373 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.56 COc1cc(C(C)=O)ccc1O M18655 [1,1,0,0,0,0|0,0,1]=3 46 B12R1.78 COC1=C(OC)C=C(CO)C=C1 M16658 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.78 COc1ccc(C=O)cc1OC M20321 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 M14995 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 M16674 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.793 COc1ccc(\C=C\CO)cc1OC M24371 [0,2,0,0,0,0|0,0,2]=4 51 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 M10473 [0,2,0,0,0,0|0,0,1]=3 52 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)[O-])=C1 M18293 [0,2,0,0,0,0|0,0,1]=3 53 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O M10474 [0,2,0,0,0,0|0,0,1]=3 54 B14R1.42 COc1cc(CCC(C)=O)ccc1O M17890 [0,2,0,0,0,0|0,0,1]=3 55 B14R1.42 COc1cc(\C=C\C(=O)O)ccc1O M20346 [0,2,0,0,0,0|0,0,1]=3 56 B14R1.42 COc1cc(\C=C\C(N)=O)ccc1O M29143 [0,2,0,0,0,0|0,0,1]=3 57 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 M15685 [0,1,0,1,0,0|2,0,0]=4