0 B12R1.286 COc1cc(C=CC)ccc1O T2S0493 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 COc1cc(CC=C)ccc1O T1297 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.286 COc1cc(CCN)ccc1O T4710 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.286 COc1cc(CCN)ccc1O T8269 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.286 COc1cc(CCO)ccc1O TN1742 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.189 COc1cccc(CCN)c1 T7855 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [1,0,0,0,0,0|0,0,1]=2 12 B11R1.280 COc1cc(C=C)ccc1O T8197 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.280 COc1cc(CN)ccc1O T1356 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.280 COc1cc(CO)ccc1O T2860 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.49 COc1cc(ccc1O)C(O)CN T4945 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.52 COc1cc(CC(O)=O)ccc1O T3S0507 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.386 COc1ccc(/C=C/C)cc1OC TN5166 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.386 COc1ccc(/C=C\C)cc1OC TN3666 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.386 COc1ccc(C=CC)cc1OC T5661 [0,1,0,0,0,0|0,0,2]=3 22 B13R1.386 COc1ccc(CC#N)cc1OC T0563 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.386 COc1ccc(CC=C)cc1OC T3S2259 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.386 COc1ccc(CCN)cc1OC T9326 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.575 COc1cc(/C=C/C=O)ccc1O TN3694 [0,1,0,0,0,0|0,0,1]=2 26 B13R1.575 COc1cc(/C=C/CO)ccc1O TL0010 [0,1,0,0,0,0|0,0,2]=3 27 B13R1.575 COc1cc(C=CC=O)ccc1O T2S1907 [0,1,0,0,0,0|0,0,1]=2 28 B13R1.575 COc1cc(CCCO)ccc1O TN1578 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.10 Cc1cccc(CC#N)c1 T33456 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.10 NCCc1cccc(O)c1 T11937 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.10 NCCc1cccc(O)c1 T11937L [2,0,0,0,0,0|1,0,1]=4 32 B10R1.10 NNCc1cccc(O)c1 T29406 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 CCc1cccc(C=C)c1 T34728 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.172 CCc1cccc(C=O)c1 T21173 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.1 NCCc1ccc(O)cc1 T7851 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.1 OCCc1ccc(O)cc1 T2861 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.1 c1cc(ccc1CCN)O T3095 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.176 Oc1ccc(C=O)cc1O T3018 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.30 CCc1nc(C)ccc1O T7875 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 CCc1nc(C)ccc1O T8624 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.30 COc1cc(C)ccc1O T20446 [2,0,0,0,0,0|0,0,0]=2 45 B10R1.30 COc1cc(N)ccc1O T21072 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.438 COc1cccc(CC(O)=O)c1 Fr13883 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.44 NCCc1cc(O)c(O)c(O)c1 T13512 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [1,1,0,0,0,0|1,0,1]=4 61 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [1,1,0,0,0,0|0,0,1]=3 62 B12R1.56 COc1cc(ccc1O)C(O)=O T9115 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.78 COc1ccc(C=O)cc1OC T5657 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.78 COc1ccc(CO)cc1OC T0657 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.41 COc1c(O)ccc(c1)C(O)C(=O)O T0611 [0,2,0,0,0,0|1,0,0]=3 66 B14R1.41 COc1cc(ccc1O)[C@@H](O)[C@H](C)O TN4001 [0,2,0,0,0,0|0,0,2]=4 67 B14R1.41 COc1cc(ccc1O)[C@H](O)[C@H](C)O TN5142 [0,2,0,0,0,0|0,0,2]=4 68 B14R1.41 OC(C1=CC=C(O)C(OC)=C1)C(O)=O T35037 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.44 COc1cc(ccc1O)C(CO)CO TN4358 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.626 COc1cc(ccc1O)C(=O)CCO TN3504 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.3651 COc1ccc(CC(O)=O)cc1OC T0568 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.793 COc1ccc(C/C=C\F)cc1OC T35291 [0,2,0,0,0,0|0,0,0]=2 73 B14R1.793 COc1ccc(\C=C\CO)cc1OC TN5922 [0,2,0,0,0,0|0,0,2]=4 74 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T2215 [0,2,0,0,0,0|0,0,1]=3 75 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T5679 [0,2,0,0,0,0|0,0,1]=3 76 B14R1.42 COc1cc(/C=C/C([O-])=O)ccc1O T2S0007 [0,2,0,0,0,0|0,0,1]=3 77 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,2,0,0,0,0|0,0,1]=3 78 B14R1.42 COc1cc(CCC(O)=O)ccc1O T0558 [0,2,0,0,0,0|0,0,1]=3 79 B14R1.42 COc1cc(\C=C\C(N)=O)ccc1O TN1643 [0,2,0,0,0,0|0,0,1]=3 80 B14R1.907 COCC=Cc1ccc(O)c(OC)c1 TN4096 [0,2,0,0,0,0|0,0,2]=4 81 B12R2.100 Oc1cc2cc[nH]c2cc1O T10164 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.1008 OC(=O)Cc1ccc2OCCc2c1 T1359 [0,1,0,1,0,0|2,0,0]=4