0 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CCc1[nH]cc(n1)Br BC220073 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 Cc1csc(n1)C=O BC203023 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 Cc1ncc(s1)C=O BC650857 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.1 Cn1ccc(n1)CO BC262388 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 c1cc(sc1C#N)Br BC651951 [0,0,0,0,0,0|3,1,0]=4 7 B7R1.1 CCc1cccs1 BC210545 [1,0,0,0,0,0|1,1,0]=3 8 B7R1.1 CSc1[nH]ccn1 BC600114 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 c1cc([nH]c1)CN BC620340 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 c1cc(sc1)C#N BC205596 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.1 c1cc(sc1)C=O BC225721 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.1 c1coc(n1)CCl BC670136 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 C1=CC(=O)OC1=O BC200750 [1,0,0,0,0,0|1,1,0]=3 15 B7R1.2 CC1=CCC(=O)O1 BC205542 [1,0,0,0,0,0|0,1,1]=3 16 B7R1.2 Cc1cc(n[nH]1)C BC227849 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 Cc1ccc([nH]1)C BC203703 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.2 Cc1cnc(s1)Br BC675562 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.2 Cc1csc(n1)Br BC221845 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 Cn1cc[n+](c1)C BC220060 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 Cn1ccc(n1)N BC202601 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 c1cc(sc1Br)Br BC689401 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.21 CSc1ccc(s1)C=O BC684303 [0,1,0,0,0,0|0,1,1]=3 24 B9R1.21 c1cc(oc1C=O)C=O BC212150 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.21 c1cc(oc1CO)C=O BC219476 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.22 Cc1cc([nH]c1C=O)C BC227861 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.1 CNc1ccc(cc1)N BC220840 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.1 COc1ccc(cc1)Br BC676620 [0,0,0,0,0,1|2,1,0]=4 31 B9R1.1 COc1ccc(cc1)N BC206279 [0,0,0,0,0,1|2,1,0]=4 32 B9R1.1 COc1ccc(cn1)F BC208854 [0,0,0,0,0,1|2,1,0]=4 33 B9R1.1 COc1ccc(cn1)I BC228888 [0,0,0,0,0,1|2,1,0]=4 34 B9R1.1 COc1ccc(cn1)N BC204592 [0,0,0,0,0,1|2,1,0]=4 35 B9R1.1 COc1ccc(cn1)O BC678852 [0,0,0,0,0,1|2,1,0]=4 36 B9R1.1 Cc1ccc(cc1)C#C BC213353 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.1 Cc1ccc(cc1)C#N BC676397 [0,0,0,0,0,1|3,0,0]=4 38 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.1 Cc1ccc(cc1)CBr BC200614 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.1 Cc1ccc(cc1)CN BC211128 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.1 Cc1ccc(cc1)NN BC213413 [0,0,0,0,0,1|3,0,0]=4 42 B9R1.1 Cc1ccc(cc1)NN BC216063 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.1 Cc1ccc(cn1)C=C BC219567 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.1 Cc1ccc(cn1)NN BC686683 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.1 Cc1ccc(cn1)OC BC224186 [0,0,0,0,0,1|1,1,0]=3 46 B9R1.1 Cc1ccc(nc1)C#N BC211802 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.1 Cc1ccc(nc1)C=C BC211746 [0,0,0,0,0,1|2,0,1]=4 48 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.2 CCc1cccc(c1)Br BC675848 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.2 CCc1cccc(c1)N BC219618 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.2 COc1cc(ccn1)I BC221863 [0,0,0,0,0,1|2,1,0]=4 52 B9R1.2 COc1cc(cnc1)N BC678830 [0,0,0,0,0,1|2,1,0]=4 53 B9R1.2 COc1cccc(c1)Br BC208526 [0,0,0,0,0,1|2,1,0]=4 54 B9R1.2 COc1cccc(n1)N BC205868 [0,0,0,0,0,1|2,1,0]=4 55 B9R1.2 COc1ccnc(c1)Cl BC201211 [0,0,0,0,0,1|2,1,0]=4 56 B9R1.2 COc1ccnc(c1)N BC225237 [0,0,0,0,0,1|2,1,0]=4 57 B9R1.2 COc1ccnc(n1)Br BC676344 [0,0,0,0,0,1|2,1,0]=4 58 B9R1.2 COc1ccnc(n1)N BC659015 [0,0,0,0,0,1|2,1,0]=4 59 B9R1.2 CSc1[nH]c(=O)ccn1 BC215669 [0,0,0,0,0,1|2,0,0]=3 60 B9R1.2 CSc1cccc(c1)I BC210370 [0,0,0,0,0,1|2,0,0]=3 61 B9R1.2 CSc1ccnc(n1)Cl BC200466 [0,0,0,0,0,1|2,0,0]=3 62 B9R1.2 CSc1nccc(n1)Cl BC200467 [0,0,0,0,0,1|2,0,0]=3 63 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.2 Cc1cccc(n1)CO BC225232 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.2 Cc1cccc(n1)OC BC207375 [0,0,0,0,0,1|1,1,0]=3 68 B9R1.2 Cc1nccc(n1)C=O BC200464 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.2 Cc1nccc(n1)CO BC684778 [0,0,0,0,0,1|3,0,0]=4 70 B6R1.2 C1C=CC(=O)O1 BC201413 [2,0,0,0,0,0|0,1,1]=4 71 B6R1.2 Cc1[nH]ccn1 BC228979 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 Cc1c[nH]cn1 BC200416 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 Cc1ccno1 BC226936 [2,0,0,0,0,0|1,0,0]=3 74 B6R1.2 Cn1cccn1 BC202050 [2,0,0,0,0,0|2,0,0]=4 75 B6R1.2 c1cc(oc1)Br BC675565 [2,0,0,0,0,0|1,0,0]=3 76 B6R1.2 c1cc(sc1)Br BC676814 [2,0,0,0,0,0|1,1,0]=4 77 B6R1.2 c1cc(sc1)Br BC677960 [2,0,0,0,0,0|1,1,0]=4 78 B6R1.2 c1cc(sc1)F BC211749 [2,0,0,0,0,0|1,1,0]=4 79 B6R1.2 c1coc(n1)N BC227830 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.7 B(c1ccco1)(O)O BC210622 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.18 Cc1c(oc(=O)o1)C BC207654 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.3 COc1ccc(cc1)CCl BC676749 [0,1,0,0,0,1|1,1,0]=4 84 B10R1.3 COc1ccc(cc1)CN BC208901 [0,1,0,0,0,1|1,1,0]=4 85 B10R1.3 COc1ccc(cc1)CS BC208815 [0,1,0,0,0,1|1,1,0]=4 86 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.13 Cc1ccc(cc1)N(C)C BC206482 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 Cc1ccc(cn1)C(C)O BC681105 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.2 Cc1cccc(c1N)OC BC676810 [0,1,0,0,0,1|1,1,0]=4 91 B10R1.8 CSc1nc(cc(n1)O)O BC203884 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.8 Cc1cc(nc(n1)Cl)SC BC200465 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.8 Cc1cc(nc(n1)SC)C BC204281 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.8 Cc1cc(nc(n1)SC)Cl BC210737 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.30 CCc1c(ccc(n1)C)O BC227743 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.30 Cc1ccc(c(n1)OC)F BC219176 [0,1,0,0,0,1|1,1,0]=4 97 B10R1.30 Cc1ccc(c(n1)OC)N BC219112 [0,1,0,0,0,1|1,1,0]=4 98 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.172 COc1cccc(c1)CBr BC201397 [0,1,0,0,0,1|1,1,0]=4 100 B10R1.31 CCc1ccc(o1)C(=O)C BC296380 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.3 Cc1ccc(cn1)O BC213724 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.3 Cc1ccc(nc1)C BC220412 [0,0,1,1,0,0|2,0,0]=4 103 B8R1.5 Cc1c(cccn1)O BC225229 [0,0,1,1,0,0|2,0,0]=4 104 B6R0.3 CC(=C)C(=O)OC BC222747 [0,0,1,0,1,0|1,1,0]=4