0 B9R1.69 CC1=C(Cl)C=CC(O)=C1 M19507 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 Cc1cc(O)ccc1O M25013 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.69 Oc1ccc(Cl)cc1Cl M20889 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 Cc1ccc(O)cc1 M19480 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.3 Cc1ccc(O)cc1 M20004 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.3 Clc1ccc(Cl)cc1 M20886 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.3 NC1=CC=C(F)C=C1 M19500 [1,0,0,0,0,0|2,1,0]=4 12 B8R1.3 NC1=CC=C(O)C=C1 M19498 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.3 Nc1ccc(Cl)nc1 M20685 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.3 OC1=CC=C(O)C=C1 M19502 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.4 OC1=CC=CC(O)=C1 M19514 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.4 Oc1cccc(O)n1 M19540 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 CC1=C(O)C=CC=N1 M23315 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.5 NC1=CC=CC=C1I M24615 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.5 Nc1ccccc1O M19714 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.5 Nc1ncccc1O M21226 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.5 O=c1ccocc1O M21209 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.5 Oc1ccccc1O M19683 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.5 On1ccccc1=S M26402 [1,0,0,0,0,0|2,1,0]=4 26 B10R1.22 CC1=CC(=O)C=C(C)C1=O M18735 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.22 OC1=CC(O)=C(Br)C(O)=C1 M29552 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.22 OC1=CC(O)=C(Cl)C(O)=C1 M29565 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.25 CCc1ccc(C)cc1O M27942 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.25 O=Cc1ccc(F)cc1F M28626 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.25 O=Cc1ccc(O)cc1O M29441 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.30 COC1=CC(C)=CC=C1O M24986 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.118 Oc1cc(Cl)c(Cl)cc1O M28298 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.119 CC1=C(O)C(=O)C=CN1C M13978 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.50 CC1=C(O)C(=O)CO1 M29509 [0,0,0,0,1,0|3,0,0]=4 39 B7R0.6 NC(=O)\C=C/C(=O)O M19628 [1,0,1,0,0,0|2,0,0]=4 40 B7R1.3 ClC1=NC=CN=C1 M11940 [2,0,0,0,0,0|1,0,1]=4 41 B7R1.3 Nc1ccccc1 M19715 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.3 OC1=CC=CC=C1 M19463 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.1 NNc1ccc(Cl)cc1 M17796 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.2 O=Cc1cccc(O)c1 M19537 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 OCc1cccc(O)c1 M19645 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.3 Cc1cccc(O)c1O M18636 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.3 OC1=CC=CC(O)=C1O M19211 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.34 Cc1cc(O)cc(O)c1 M18670 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.34 OC1=CC(O)=CC(O)=C1 M21843 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.15 COC1=CC=CC=C1O M16473 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.15 NCc1ccccc1O M28366 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 OCc1ccccc1O M16468 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.37 O=C1NC(=O)C(Br)=C1Br M29525 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.14 O=C1C(Cl)=CC(=NCl)C=C1Cl M21103 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.32 CC1=C(Cl)C(=O)C(Cl)=C(C)N1 M13907 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.464 O=Cc1c(O)cc(O)cc1O M29066 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 M19368 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 M13213 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 M15241 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 M15490 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 M14758 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.166 O=C(O)c1ccc(O)cc1O M20617 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.279 COC1=CC(O)=C(C=O)C=C1 M18979 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 M15403 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.5 O=C1C=CC=CC=C1O M21356 [0,0,1,1,0,0|2,0,0]=4 69 B7R1.2 O=C1C=CC(=O)N1 M19624 [1,0,0,0,1,0|1,0,0]=3