0 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 Nn1nnc2ccccc21 M20548 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [0,0,0,0,0,0|1,0,0]=1 3 B11R2.1 [O-][n+]1onc2ccccc21 M21269 [0,0,0,0,0,0|2,0,1]=3 4 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,0,0,0|2,0,0]=3 5 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.1 O=Cc1coc2ccccc12 M21266 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 M29563 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.612 O=c1nsc2cc(F)ccc12 M20252 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.612 OB1OCC2=CC(F)=CC=C12 M12647 [0,1,0,0,0,0|1,0,1]=3 12 B12R2.612 OB1OCc2cc(Cl)ccc21 M17372 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,1,0,0,0|1,0,0]=2 14 B10R1.15 CNC(=O)c1cccnc1 M20018 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.15 COC(=O)c1ccccn1 M27521 [0,0,1,0,0,0|1,0,0]=2 16 B10R1.15 COC(=O)c1cccnc1 M20301 [0,0,1,0,0,0|1,0,0]=2 17 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [0,0,1,0,0,0|3,0,0]=4 18 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.17 CCOCc1ccccc1 M28093 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.17 NNCCC1=CC=CC=C1 M28748 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.17 NNCCc1ccccc1 M22671 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.17 NNCCc1ccccc1 M28381 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [0,0,1,0,0,0|1,0,1]=3 26 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [0,0,1,0,0,0|1,0,1]=3 27 B10R1.17 OCCCC1=CC=CC=C1 M19330 [0,0,1,0,0,0|1,0,2]=4 28 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [0,0,1,0,0,0|1,1,1]=4 29 B10R1.20 COC1=CC=CC=C1CN M15618 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.20 COc1ccccc1C=O M28053 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.61 CC(=O)c1ccccc1C M28091 [0,0,1,0,0,0|1,0,0]=2 33 B10R1.61 Cc1ccccc1C(=O)O M21382 [0,0,1,0,0,0|0,0,0]=1 34 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.61 Nc1ccccc1C(=O)O M19857 [0,0,1,0,0,0|1,0,0]=2 36 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [0,0,1,0,0,0|1,0,0]=2 37 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [0,0,1,0,0,0|1,0,0]=2 38 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.61 O=C(O)c1ncccc1O M20615 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [0,0,1,0,0,0|1,0,1]=3 41 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [0,0,0,0,0,1|1,0,1]=3 42 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,0,0,1|1,0,0]=2 43 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,0,0,1|1,0,0]=2 44 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [0,0,0,0,0,1|1,0,2]=4 45 B12R2.24 Oc1cnc2ccccc2n1 M28967 [0,0,0,0,0,1|2,0,1]=4 46 B12R2.1081 FC1=CC=CC2=CC=CC=C12 M14046 [0,0,0,0,0,1|2,0,1]=4 47 B12R2.1081 O=C1N=CNC2=CC=CC=C12 M18645 [0,0,0,0,0,1|1,0,1]=3 48 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,0,0,0,0,1|1,0,2]=4 49 B12R2.1081 Oc1cccc2ccccc12 M26015 [0,0,0,0,0,1|1,0,2]=4 50 B12R2.1081 Oc1ccnc2ccccc12 M18890 [0,0,0,0,0,1|1,0,2]=4 51 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,1,0,0,0|0,0,0]=2 52 B9R1.6 CC(=O)c1cnccn1 M20258 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,1,0,0,0|0,0,2]=4 54 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,1,0,0,0|0,0,0]=2 60 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,1,0,0,0|1,0,0]=3 61 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,1,0,0,0|1,0,0]=3 64 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,1,0,0,0|0,0,1]=3 65 B9R1.6 O=C([O-])c1ccccn1 M18036 [1,0,1,0,0,0|1,0,1]=4 66 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,1,0,0,0|1,0,0]=3 67 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.8 CNCc1ccccc1 M21326 [1,0,1,0,0,0|1,0,1]=4 70 B9R1.8 NCCc1ccccc1 M18943 [1,0,1,0,0,0|1,0,1]=4 71 B9R1.8 NCCc1ccccc1 M20880 [1,0,1,0,0,0|1,0,1]=4 72 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,1,0,0,0|0,0,0]=2 73 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,1,0,0,0|0,0,2]=4 74 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.15 COC1=CC=CC=C1O M16473 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.15 NCc1ccccc1O M28366 [1,0,1,0,0,0|1,0,1]=4 77 B9R1.15 OCc1ccccc1O M16468 [1,0,1,0,0,0|0,0,1]=3 78 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.16 O=C(NCO)c1cccnc1 M21146 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,1,0,0,0|0,0,0]=2 83 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,1,1,0,0,0|1,0,0]=3 91 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [0,1,1,0,0,0|0,0,0]=2 92 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [0,1,1,0,0,0|0,0,0]=2 93 B11R1.222 COC(=O)c1nccnc1N M27561 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [0,1,1,0,0,0|1,0,0]=3 95 B11R1.91 CC(=O)COc1ccccc1 M27826 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.91 CC(=O)NCc1ccccc1 M22662 [0,1,1,0,0,0|1,0,0]=3 97 B11R1.91 CC(=O)OCc1ccccc1 M20248 [0,1,1,0,0,0|0,0,0]=2 98 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 M19512 [0,1,1,0,0,0|1,0,0]=3 99 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.91 NC(=O)NCc1ccccc1 M27376 [0,1,1,0,0,0|1,0,0]=3 101 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [0,1,1,0,0,0|1,0,1]=4 102 B11R1.91 O=C(O)CCc1ccccc1 M18665 [0,1,1,0,0,0|1,0,0]=3 103 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [0,1,1,0,0,0|1,0,1]=4 105 B11R1.53 COc1ccccc1C(=O)O M20594 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.53 O=C(O)c1ccccc1CO M28090 [0,1,1,0,0,0|0,0,0]=2 107 B11R1.87 CC1=CC=CC=C1S(N)(=O)=O M16396 [0,1,1,0,0,0|1,0,1]=4 108 B11R1.87 Nc1ccccc1S(=O)(=O)O M19670 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.156 NC1=C(C(=O)O)C(F)=CC=C1 M14483 [0,1,1,0,0,0|1,0,0]=3 110 B11R1.156 O=C(O)c1c(O)cccc1O M20573 [0,1,1,0,0,0|1,0,0]=3 111 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 M16090 [0,1,1,0,0,0|1,0,0]=3 112 B11R1.159 Nc1c(O)cccc1C(=O)O M19626 [0,1,1,0,0,0|1,0,0]=3 113 B11R1.159 O=C(O)c1cccc(O)c1O M19589 [0,1,1,0,0,0|1,0,0]=3 114 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 M19368 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,1,1,0,0,0|1,0,0]=3 117 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 M13213 [0,1,1,0,0,0|1,0,0]=3 118 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 M15241 [0,1,1,0,0,0|1,0,1]=4 119 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 M15490 [0,1,1,0,0,0|1,0,0]=3 120 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 M14758 [0,1,1,0,0,0|1,0,0]=3 121 B11R1.166 O=C(O)c1ccc(O)cc1O M20617 [0,1,1,0,0,0|1,0,0]=3 122 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 M18642 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 M15403 [0,1,1,0,0,0|1,0,0]=3 124 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 M16448 [0,1,1,0,0,0|1,0,0]=3 125 B11R1.167 O=C(O)c1cc(O)ccc1O M18643 [0,1,1,0,0,0|1,0,0]=3 126 B11R2.10 O=C1Cc2ccccc2N1 M22658 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.155 Cc1ccc2ccc(=O)oc2c1 M21242 [0,1,0,0,0,1|1,0,1]=4 128 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 M16673 [0,1,0,0,0,1|1,0,1]=4 129 B13R2.155 O=C1CCc2ccc(O)cc2N1 M20560 [0,1,0,0,0,1|1,0,0]=3 130 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 M18076 [0,1,0,0,0,1|1,0,1]=4 131 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 M13169 [0,1,0,0,0,1|1,0,1]=4 132 B13R2.328 O=C1NC(=O)c2ccccc2N1 M21342 [0,1,0,0,0,1|1,0,1]=4 133 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [0,1,0,0,0,1|1,0,1]=4 134 B13R2.369 CN1Cc2ccccc2NC1=O M28377 [0,1,0,0,0,1|1,0,0]=3 135 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [0,1,0,0,0,1|1,0,1]=4 136 B13R2.369 O=c1nc2ccccc2nc1=O M27269 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 M20367 [0,1,0,0,0,1|1,0,1]=4 138 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 M18887 [0,1,0,0,0,1|1,0,1]=4 139 B13R2.342 O=C1CCCc2c(O)cccc21 M20337 [0,1,0,0,0,1|1,0,0]=3 140 B13R2.371 O=C1C=CC(=O)c2ccccc21 M17932 [0,1,0,0,0,1|1,0,1]=4 141 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O M29518 [0,2,0,0,0,0|2,0,0]=4 142 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O M24334 [0,2,0,0,0,0|0,0,1]=3 143 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 M16028 [0,2,0,0,0,0|2,0,0]=4 144 B13R2.12159 O=C1NS(=O)(=O)c2ccccc21 M18618 [0,2,0,0,0,0|2,0,0]=4 145 B13R2.12159 O=C1SS(=O)(=O)C2=CC=CC=C12 M15526 [0,2,0,0,0,0|1,1,0]=4 146 B9R1.11 COC(=O)c1ccco1 M21355 [0,0,1,0,1,0|1,0,0]=3 147 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,0,1,0,0,1|1,0,0]=3