0 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCOC(=O)C1=CCCNC1 M18149 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.16 O=C(NCO)c1cccnc1 M21146 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 [N-]=[N+]=NC(=O)c1cccnc1 M27781 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 CNC(=O)c1cccnc1 M20018 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.15 COC(=O)c1ccccn1 M27521 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 COC(=O)c1cccnc1 M20301 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.15 NCC(O)c1ccccc1 M19713 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.17 CCOCc1ccccc1 M28093 [1,0,0,0,0,0|0,0,1]=2 16 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,1,0,0,0,0|0,0,0]=1 23 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.17 CCOC(=O)c1cccc(N)c1 M24908 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.30 CCCCC(O)C1=CC=CC=C1 M15139 [0,1,0,0,0,0|1,0,2]=4 28 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.308 CCOC(=O)C1=CC=CC=C1O M23356 [0,1,0,0,0,0|0,0,0]=1 30 B12R2.2 c1cncc(C2=NCCC2)c1 M20968 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.1081 O=C1N=CNC2=CC=CC=C12 M18645 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,0,0,1,0,0|1,0,2]=4 33 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,0,0,0,0,1|0,0,0]=1 34 B9R1.6 CC(=O)c1ccccc1 M20888 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.6 CC(=O)c1cnccn1 M20258 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 C[C@H](O)c1ccccc1 M19564 [2,0,0,0,0,0|0,0,2]=4 37 B9R1.6 N=C(N)c1ccccc1 M21570 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [2,0,0,0,0,0|0,0,0]=2 43 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 O=C(O)c1ccccn1 M19678 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 O=C(O)c1ccncc1 M22651 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.6 O=C([O-])c1ccccc1 M21192 [2,0,0,0,0,0|0,0,1]=3 48 B9R1.6 O=C([O-])c1ccccn1 M18036 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.6 O=[PH](O)c1ccccc1 M27267 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 OB(O)c1ccccc1 M27962 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|0,0,0]=2 52 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.8 NCCc1ccccc1 M18943 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.8 NCCc1ccccc1 M20880 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.8 OCCC1=CC=CC=C1 M15237 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.8 O\N=C\c1ccccc1 M27255 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [1,1,0,0,0,0|0,0,1]=3 65 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.222 COC(=O)c1nccnc1N M27561 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.91 CC(=O)OCc1ccccc1 M20248 [1,1,0,0,0,0|0,0,2]=4 71 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 M19512 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 M23773 [0,1,0,0,0,1|0,0,0]=2 74 B13R1.47 CCOC(=O)C(=O)c1ccccc1 M27256 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.47 CCOC(=O)C(O)c1ccccc1 M27247 [0,1,0,0,0,1|0,0,0]=2 76 B13R1.17 CCCCC(=O)c1ccc(O)cc1 M27261 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.17 CCCOC(=O)c1ccc(O)cc1 M20302 [0,2,0,0,0,0|0,0,0]=2 78 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 M20209 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 M20314 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 M20342 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 M20341 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 M15351 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.450 CCOC(=O)C1=CC(O)=CC(O)=C1 M24376 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.45 CC(C)NNC(=O)c1ccncc1 M13971 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.45 O=C(O)CNC(=O)c1ccccc1 M19608 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.45 O=C(O)CNC(=O)c1ccccc1 M21613 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.86 CCN(CC)C(=O)C1=CC=CN=C1 M15196 [0,2,0,0,0,0|2,0,0]=4 88 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,1,0,0|0,0,0]=2 89 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 M15232 [0,0,0,1,0,1|2,0,0]=4 90 B13R2.64 c1ccc(CC2=NCCN2)cc1 M27407 [0,0,0,1,0,1|2,0,0]=4 91 B13R2.5179 O=C1CCCc2cc(Cl)ccc21 M27393 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.342 O=C1CCCc2c(O)cccc21 M20337 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O M24334 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.11 COC(=O)c1ccco1 M21355 [1,0,0,0,1,0|1,0,0]=3 95 B13R1.42 CCOC(=O)\C=C\c1ccccc1 M29141 [0,0,0,0,0,2|0,0,0]=2 96 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 M14688 [0,0,0,0,0,2|2,0,0]=4