0 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 OC(=O)/C=C/c1c[nH]cn1 T4759 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 OC(=O)/C=C\c1cnc[nH]1 T10824 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,1,0,0,0|2,0,0]=3 5 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [0,0,0,1,0,0|2,0,1]=4 6 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,0]=2 7 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,1|1,0,0]=2 8 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,1|1,0,2]=4 9 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,1|2,0,1]=4 10 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,1|2,0,1]=4 11 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,1|2,0,1]=4 12 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,0,1|2,0,0]=3 13 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,0,1|2,0,0]=3 14 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,0,0,0,1|2,0,0]=3 15 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,0,0,0,1|2,0,0]=3 16 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,1,0,0,0,1|2,0,0]=4 17 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,1,0,0,0,1|2,0,0]=4 18 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,1,0,0,0,1|2,0,0]=4 19 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,1,0,0,0,1|1,0,0]=3 23 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,1,0,0,0,1|1,0,0]=3 24 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,1|1,0,1]=4 25 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.144 CC(C)=CC(=O)c1occc1C TN5853 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,1,1,0,0|2,0,0]=4 32 B10R1.61 CC(=O)c1ccccc1C T36788 [0,0,1,1,0,0|1,0,0]=3 33 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,0,1,1,0,0|1,0,0]=3 34 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,0,1,1,0,0|0,0,0]=2 35 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.61 NC(=O)c1ccccc1O T0004 [0,0,1,1,0,0|1,0,0]=3 37 B10R1.61 OC(=O)c1ccccc1I T20881 [0,0,1,1,0,0|2,0,0]=4 38 B10R1.61 OC(=O)c1ccccc1O T0649 [0,0,1,1,0,0|1,0,0]=3 39 B10R1.61 OC(=O)c1ccccc1O T27597 [0,0,1,1,0,0|1,0,0]=3 40 B10R1.61 OC(=O)c1ncccc1O T5986 [0,0,1,1,0,0|2,0,0]=4 41 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,0,1,1,0,0|1,1,0]=4 42 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,0,1,1,0,0|1,0,0]=3 43 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,0,1,1,0,0|1,0,0]=3 44 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,0,1,1,0,0|0,0,2]=4 45 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,0,1,1,0,0|2,0,0]=4 46 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,0,1,1,0,0|0,0,0]=2 47 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,0,1,1,0,0|1,0,0]=3 53 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,0,1,1,0,0|1,0,0]=3 54 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,0,1,1,0,0|2,0,0]=4 55 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|1,0,1]=4 56 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|2,0,0]=4 57 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,2,0|1,0,1]=4 58 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,2,0|0,1,0]=3 59 B8R1.7 CC(=O)c1nccs1 T8042 [0,0,0,0,2,0|1,1,0]=4 60 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,2,0|2,0,0]=4 61 B8R1.7 OC(=O)c1ccco1 T5544 [0,0,0,0,2,0|1,0,0]=3 62 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,0,0,0,1|1,0,0]=3 63 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,0,0,0,1|1,0,0]=3