0 B8R1.3 Cc1ccc(O)cc1 M19480 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.3 Cc1ccc(O)cc1 M20004 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 Cc1cnc(C)cn1 M19557 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 Clc1ccc(Cl)cc1 M20886 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 NC1=CC=C(F)C=C1 M19500 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 NC1=CC=C(O)C=C1 M19498 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.3 Nc1ccc(Cl)nc1 M20685 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.3 OC1=CC=C(O)C=C1 M19502 [0,0,0,0,0,0|0,0,0]=0 10 B7R1.3 Cc1cnccn1 M28185 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.3 ClC1=NC=CN=C1 M11940 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 NC1=CC=NC=C1 M14717 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 Nc1ccccc1 M19715 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 OC1=CC=CC=C1 M19463 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.1 C=Cc1ccc(O)cc1 M26541 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.1 CCc1ccc(O)cc1 M20523 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.1 COC1=CC=C(F)C=C1 M14546 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.1 COC1=CC=C(O)C=C1 M12104 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.1 NCc1ccc(O)cc1 M27368 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.1 NNc1ccc(Cl)cc1 M17796 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [0,1,0,0,0,0|0,0,1]=2 22 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.1 OCc1ccc(O)cn1 M28306 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.69 CC1=C(Cl)C=CC(O)=C1 M19507 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.69 Cc1cc(O)ccc1O M25013 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.69 O=C1C=C(O)NC=C1Cl M10190 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.69 Oc1ccc(Cl)cc1Cl M20889 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.6 NC(=O)\C=C/C(=O)O M19628 [0,0,1,0,0,0|2,0,1]=4 34 B7R0.6 O=C(O)\C=C/C(=O)O M19545 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.6 O=C(O)\C=C\C(=O)O M17809 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.6 O=C(O)\C=C\C(=O)O M18226 [0,0,1,0,0,0|2,0,0]=3 37 B7R1.2 O=C1C=CC(=O)N1 M19624 [0,0,0,0,1,0|1,0,2]=4 38 B6R1.1 c1cncnc1 M19588 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.23 C\C(=C/C(=O)O)C(=O)O M22873 [0,1,1,0,0,0|2,0,0]=4 40 B8R0.23 C\C(=C\C(=O)O)C(=O)O M18656 [0,1,1,0,0,0|2,0,0]=4 41 B8R1.2 C=CC1=CC=CC=N1 M19493 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.2 COc1ccccc1 M20226 [1,1,0,0,0,0|0,0,0]=2 43 B8R1.2 COc1cnccn1 M24247 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.2 NCC1=CC=CN=C1 M14288 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.2 NCc1ccccc1 M19712 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.2 O=CC1=CC=CC=C1 M17745 [1,1,0,0,0,0|0,0,1]=3 47 B8R1.2 OCC1=CC=CC=C1 M10041 [1,1,0,0,0,0|0,0,0]=2 48 B8R1.2 OCC1=CC=CC=N1 M15162 [1,1,0,0,0,0|1,0,0]=3 49 B8R1.2 OCC1=CN=CC=C1 M10048 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 OC1=CC=CC(O)=C1 M19514 [1,1,0,0,0,0|0,0,0]=2 51 B8R1.4 Oc1cccc(O)n1 M19540 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.5 CC1=C(O)C=CC=N1 M23315 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.5 NC1=CC=CC=C1I M24615 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.5 Nc1ccccc1O M19714 [1,1,0,0,0,0|0,0,0]=2 55 B8R1.5 Nc1ccncc1N M18788 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.5 Nc1ncccc1O M21226 [1,1,0,0,0,0|1,0,0]=3 57 B8R1.5 O=c1ccocc1O M21209 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.5 Oc1ccccc1O M19683 [1,1,0,0,0,0|0,0,0]=2 59 B8R1.5 On1ccccc1=S M26402 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.1 N#CCc1ccc(O)cc1 M22659 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.1 NCCc1ccc(O)cc1 M18703 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.1 NCCc1ccc(O)cc1 M21102 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.1 OCCc1ccc(O)cc1 M18667 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.3 COc1ccc(C=O)cc1 M21217 [0,2,0,0,0,0|0,0,1]=3 67 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [0,2,0,0,0,0|0,0,1]=3 69 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [0,2,0,0,0,0|0,0,0]=2 76 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [0,2,0,0,0,0|1,0,1]=4 78 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [0,2,0,0,0,0|0,0,1]=3 79 B10R1.25 CCc1ccc(C)cc1O M27942 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.25 Nc1nc(O)ncc1CO M28031 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.25 O=Cc1ccc(F)cc1F M28626 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.25 O=Cc1ccc(O)cc1O M29441 [0,2,0,0,0,0|0,0,1]=3 84 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [0,2,0,0,0,0|0,0,1]=3 86 B10R1.176 O=c1cc(CO)occ1O M20588 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.22 CC1=CC(=O)C=C(C)C1=O M18735 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.22 CC1=CC(O)=CC(C)=C1Cl M16385 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br M29530 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.22 OC1=CC(O)=C(Br)C(O)=C1 M29552 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.22 OC1=CC(O)=C(Cl)C(O)=C1 M29565 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.22 Oc1c(Cl)cc(Br)cc1Br M29559 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.22 Oc1c(I)cc(I)cc1I M22197 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.30 CCc1nc(C)ccc1O M21129 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.30 CCc1nc(C)ccc1O M22196 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.30 COC1=CC(C)=CC=C1O M24986 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.30 O=Cc1cc(O)ccc1O M29262 [0,2,0,0,0,0|0,0,0]=2 98 B10R1.118 Nc1cc(N)c(N)cc1N M20681 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.118 Oc1cc(Cl)c(Cl)cc1O M28298 [0,2,0,0,0,0|1,0,0]=3