0 B11R1.53 CCC1=NC=CC=C1B(O)O M10129344P [0,0,0,0,0,0|3,0,1]=4 1 B11R1.53 COC1=NC=CN=C1C(C)C M10191291P [0,0,0,0,0,0|2,0,1]=3 2 B11R1.53 N#CC1=CC=CC=C1C(C)=O M10601682P [0,0,0,0,0,0|3,0,1]=4 3 B11R1.53 O=C(N)C1=CC=CC=C1CBr M11010748P [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 O=C(O)C1=CC=CC=C1CC M10015969P [0,0,0,0,0,0|3,0,0]=3 5 B11R1.53 O=C(O)C1=CC=CC=C1OC M10013270P [0,0,0,0,0,0|4,0,0]=4 6 B11R1.53 O=C(O)C1=NC=CC=C1C=O M10159484P [0,0,0,0,0,0|3,0,1]=4 7 B11R1.53 O=C(O)C1=NC=CC=C1OC M10142991P [0,0,0,0,0,0|3,0,0]=3 8 B11R1.53 O=[N+](C1=CC=CC=C1CC)[O-] M10015971P [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 CCC1=CC=CC=C1CC M10005067P [1,0,0,0,0,0|2,0,1]=4 10 B10R1.20 CCC1=NC=CN=C1OC M10190762P [1,0,0,0,0,0|1,0,0]=2 11 B10R1.20 O=CC1=C(OC)N=CC=C1 M10442166P [1,0,0,0,0,0|2,0,0]=3 12 B10R1.20 O=CC1=CC=CC=C1CC M10177455P [1,0,0,0,0,0|2,0,0]=3 13 B10R1.20 O=CC1=CC=CC=C1OC M10005068P [1,0,0,0,0,0|3,0,0]=4 14 B10R1.20 O=CC1=NC=CC=C1OC M10037086P [1,0,0,0,0,0|2,0,0]=3 15 B10R1.61 CC(C1=C(C)C=CN=C1)=O M10258434P [1,0,0,0,0,0|3,0,0]=4 16 B10R1.61 CC(C1=CC=CC=C1O)=O M10655952P [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 CC(C1=CC=CC=C1S)=O M10195420P [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 CC(C1=NC=CN=C1N)=O M10712587P [1,0,0,0,0,0|1,0,0]=2 19 B10R1.61 ClC1=NC=CC=C1C(C)=O M10283880P [1,0,0,0,0,0|2,0,0]=3 20 B10R1.61 O=C(C1=CN=CN=C1C)O M10785280P [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 O=C(C1=NC=CN=C1C)O M10244952P [1,0,0,0,0,0|1,0,0]=2 22 B10R1.61 O=C(C1=NC=CN=C1Cl)O M10197914P [1,0,0,0,0,0|2,0,0]=3 23 B10R1.61 O=C(C1=NC=CNC1=O)O M10167209P [1,0,0,0,0,0|2,0,1]=4 24 B10R1.61 O=C(C1=NC=NC=C1C)O M10083525P [1,0,0,0,0,0|3,0,0]=4 25 B10R1.61 O=C(O)C1=NC=CC=C1O M10022321P [1,0,0,0,0,0|3,0,0]=4 26 B10R1.61 O=C1C(C(C)=O)=CC=CN1 M10385329P [1,0,0,0,0,0|2,0,1]=4 27 B10R1.61 O=[N+](C1=NC=CN=C1Cl)[O-] M10518374P [1,0,0,0,0,0|3,0,0]=4 28 B12R1.46 CC(C1=CC(Cl)=CC=C1OC)=O M10090730P [0,1,0,0,0,0|3,0,0]=4 29 B12R1.46 O=C(O)C1=C(OC)N=CC(Br)=C1 M10279440P [0,1,0,0,0,0|3,0,0]=4 30 B12R1.57 O=C(O)C1=CC=C(Br)C=C1CC M10908324P [0,1,0,0,0,0|3,0,0]=4 31 B12R1.77 O=C(OC)C1=CC=CC=C1OC M10015662P [0,1,0,0,0,0|3,0,0]=4 32 B12R1.283 O=C(N)C1=CC=CC=C1OCC M10023755P [0,1,0,0,0,0|3,0,0]=4 33 B12R1.437 O=C(O)C1=C(CC)C=CC=C1N M10418507P [0,1,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,0,0,1,0,0|2,0,1]=4 35 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,0,0,1,0,0|2,0,1]=4 36 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,0,0,1,0,0|2,0,1]=4 37 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M10172395P [0,0,0,1,0,0|3,0,0]=4 38 B12R2.1081 O=C1CCNC2=C1C=CC=C2 M10061767P [0,0,0,1,0,0|3,0,0]=4 39 B12R2.1081 O=C1CCOC2=CC=CN=C21 M10875023P [0,0,0,1,0,0|2,0,0]=3 40 B12R2.1081 O=C1COCC2=C1C=CC=C2 M10168044P [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 O=C1NCCC2=C1C=CC=C2 M10028879P [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 O=C1NCCC2=C1N=CC=C2 M10854246P [0,0,0,1,0,0|2,0,0]=3 43 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 M10243903P [0,0,0,1,0,0|3,0,0]=4 44 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 M10696674P [0,0,0,1,0,0|3,0,0]=4 45 B12R1.75 CC(CC1=CC=CC=C1OC)=O M10069694P [0,0,0,0,0,1|3,0,0]=4 46 B12R1.75 CC(NC1=CC=CC=C1OC)=O M11208233P [0,0,0,0,0,1|3,0,0]=4 47 B9R1.15 COC1=NC=CN=C1Cl M10241827P [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 CSC1=NC=CN=C1C M10428474P [2,0,0,0,0,0|1,0,0]=3 49 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 O=CC1=NC=CC=C1F M10213085P [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 O=CC1=NC=CC=C1N M10281263P [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 O=CC1=NC=CC=C1O M10037088P [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 CC(C1=CN=CN=C1)=O M10114103P [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 CC(C1=NC=CC=N1)=O M10270086P [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [2,0,0,0,0,0|1,0,1]=4 56 B9R1.6 O=C(Cl)C1=CC=CN=C1 M10114789P [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 O=C([O-])C1=CN=CC=C1 M10404235P [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 O=C([O-])C1=NC=CC=C1 M10138174P [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 O=C([O-])C1=NC=CC=C1 M10152479P [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 S=C(C1=NC=CN=C1)N M10064748P [2,0,0,0,0,0|1,1,0]=4 61 B11R1.41 O=CC1=CC=CC=C1CCBr M10177301P [1,1,0,0,0,0|2,0,0]=4 62 B11R1.265 O=CC1=C(OC)N=CC=C1I M10786697P [1,1,0,0,0,0|2,0,0]=4 63 B11R1.159 CC(C1=CC=CC(C)=C1C)=O M10040404P [1,1,0,0,0,0|2,0,0]=4 64 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O M10875967P [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 O=C(C1=NC=C(C)N=C1N)O M10096061P [1,1,0,0,0,0|2,0,0]=4 66 B11R1.166 O=C(C1=NC=C(Cl)N=C1Cl)N M10856678P [1,1,0,0,0,0|2,0,0]=4 67 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 M10081304P [1,1,0,0,0,0|2,0,0]=4 68 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O M10100378P [1,1,0,0,0,0|2,0,0]=4 69 B11R1.167 O=C(C1=NC(Br)=CN=C1Br)O M10089708P [1,1,0,0,0,0|2,0,0]=4 70 B11R1.167 O=C(C1=NC(Br)=CN=C1N)O M10884688P [1,1,0,0,0,0|2,0,0]=4 71 B11R1.167 O=C(C1=NC(Br)=CN=C1O)N M10847656P [1,1,0,0,0,0|2,0,0]=4 72 B11R1.167 O=C(C1=NC(C)=CN=C1C)O M10043888P [1,1,0,0,0,0|1,0,0]=3 73 B11R1.167 O=C(C1=NC(Cl)=CN=C1N)O M10047057P [1,1,0,0,0,0|2,0,0]=4 74 B11R1.167 O=C(O)C1=C(C)N=CC(Br)=C1 M10864383P [1,1,0,0,0,0|2,0,0]=4 75 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C M11111913P [1,1,0,0,0,0|2,0,0]=4 76 B11R1.222 CC1=CC=CC=C1C(CBr)=O M10257084P [1,1,0,0,0,0|2,0,0]=4 77 B11R1.222 O=C(C1=NC=CN=C1C)OC M10244953P [1,1,0,0,0,0|0,0,0]=2 78 B11R1.222 O=C(C1=NC=CN=C1Cl)OC M10199725P [1,1,0,0,0,0|1,0,0]=3 79 B11R1.222 O=C(C1=NC=CN=C1O)OC M10199724P [1,1,0,0,0,0|1,0,0]=3 80 B11R1.222 O=C(OC)C1=C(Br)N=CC=C1 M10266614P [1,1,0,0,0,0|2,0,0]=4 81 B11R1.222 O=C(OC)C1=C(I)N=CC=C1 M10033834P [1,1,0,0,0,0|2,0,0]=4 82 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 M10424969P [1,1,0,0,0,0|2,0,0]=4 83 B13R1.382 O=C(OC)C1=CC=CC=C1OCC M10056745P [0,2,0,0,0,0|2,0,0]=4 84 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [1,0,0,1,0,0|1,0,0]=3 85 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [1,0,0,1,0,0|1,0,0]=3 86 B11R2.1 O=C1NCC2=NC=CC=C21 M10241661P [1,0,0,1,0,0|2,0,0]=4 87 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [1,0,0,1,0,0|0,0,1]=3 88 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [1,0,0,1,0,0|2,0,0]=4 89 B11R2.106 O=C1C2=C(NC=C2)CCC1 M10126273P [0,0,0,1,1,0|0,0,1]=3 90 B11R2.106 O=C1CCCC2=C1C=CS2 M10123467P [0,0,0,1,1,0|1,0,0]=3 91 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 M10048187P [0,1,0,1,0,0|2,0,0]=4 92 B13R2.162 O=C1CCCC2=C1C=C(N)C=C2 M10172861P [0,1,0,1,0,0|2,0,0]=4 93 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 M10172860P [0,1,0,1,0,0|2,0,0]=4 94 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 M10419358P [0,1,0,1,0,0|2,0,0]=4 95 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 M10019003P [0,1,0,1,0,0|2,0,0]=4 96 B13R2.5179 O=C1CCCC2=C1C=CC(N)=C2 M10054799P [0,1,0,1,0,0|2,0,0]=4 97 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 M10162865P [0,1,0,1,0,0|2,0,0]=4 98 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 M10021502P [0,1,0,1,0,0|2,0,0]=4 99 B13R2.5569 CC(C1=C2OCCC2=CC=C1)=O M10799334P [0,1,0,1,0,0|2,0,0]=4 100 B9R1.41 CC(C1=C(Br)C=CS1)=O M10249884P [1,0,0,0,1,0|2,0,0]=4 101 B9R1.41 O=C(C1=C(C)NC=C1)O M10232587P [1,0,0,0,1,0|1,0,1]=4 102 B9R1.41 O=C(C1=C(C)OC=N1)O M10652463P [1,0,0,0,1,0|2,0,0]=4 103 B9R1.41 O=C(C1=C(C)SC=N1)O M10710316P [1,0,0,0,1,0|2,0,0]=4 104 B9R1.41 O=C(C1=CON=C1C)O M10147590P [1,0,0,0,1,0|2,0,0]=4 105 B9R1.41 O=C(C1=CSN=C1C)O M10139322P [1,0,0,0,1,0|2,0,0]=4