0 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 N#Cc1cnc(Cl)cn1 T3507 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,0,0,0,1,0|2,0,1]=4 29 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|0,0,0]=2 30 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.6 CC(=O)c1cnccn1 T5596 [1,1,0,0,0,0|1,0,1]=4 36 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.6 O=C(O)c1cccnc1 T0879 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.15 COc1ccccc1O T3267 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 T19475 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.83 C=CCc1ccc(OC)cc1 T5649 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.83 C\C=C\c1ccc(OC)cc1 T0014 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.83 C\C=C\c1ccc(OC)cc1 T0762 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,2,0,0,0,0|1,0,0]=3 67 B7R1.2 Cc1cc(N)no1 T0644 [1,0,0,0,1,0|2,0,0]=4 68 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,1,0|2,0,0]=4