0 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 HY-Y1119 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 HY-69089 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 HY-W007854 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 HY-W002559 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 BrC1=CN=CC2=C1C=CC=C2 HY-34490 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 HY-W007603 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 HY-32126 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 IC1=CC=CC2=C1C=CN=C2 HY-W021879 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 HY-W001604 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 NC1=CN=CC2=CC=CC=C12 HY-W008059 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 HY-W002014 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HY-Y1309 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 HY-32100 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-B1005 [0,0,0,0,0,0|0,0,0]=0 14 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-W012037 [0,0,0,0,0,0|0,0,0]=0 15 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 HY-W012037R [0,0,0,0,0,0|0,0,0]=0 16 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 HY-W008992 [0,0,0,0,0,0|0,0,0]=0 17 B12R2.1081 OC1=CC=CC2=C1NCCC2 HY-W002942 [0,0,0,0,0,0|0,0,4]=4 18 B12R2.1081 OC1=CC=CC2=CN=CC=C12 HY-W004721 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.1081 OC1=CC=NC2=CC=CC=C12 HY-59208 [0,0,0,0,0,0|2,0,0]=2 20 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 HY-W012732 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.20 C1=CC=C2C=NN=CC2=C1 HY-W002016 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br HY-W041703 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.32 OC1=CC=C2C=CC=CC2=C1O HY-128105 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.162 NC1=CC=CC2=C1C=C(O)C=C2 HY-I0259 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 HY-34494 [0,1,0,0,0,0|0,0,1]=2 26 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 HY-21509 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 HY-W002162 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 HY-N6856R [0,1,0,0,0,0|2,0,0]=3 29 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 HY-D0165 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.342 C[N+]1=C2C=CC=C(N)C2=CC=C1 HY-131042 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.342 NC1=CC=CC2=C1C=CNC2=O HY-W006566 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.342 O=C1CCCC2=C(O)C=CC=C12 HY-76981 [0,1,0,0,0,0|1,0,2]=4 33 B13R2.342 O=C1NC=NC2=C1C=CC=C2Cl HY-132157 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.371 CC1=C2C=CC=NC2=C(O)C=C1 HY-W018397 [0,1,0,0,0,0|0,0,0]=1 35 B13R2.371 NC1=CC=C(O)C2=C1C=CC=N2 HY-W001023 [0,1,0,0,0,0|0,0,0]=1 36 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 HY-W015490 [0,1,0,0,0,0|1,0,1]=3 37 B13R2.371 OC1=C2N=CC=CC2=C(Cl)C=C1 HY-B0963 [0,1,0,0,0,0|0,0,0]=1 38 B13R2.371 OC1=CC=C(Cl)C2=CC=CC=C12 HY-W007967 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.1613 C#CC1=C2C=CC=CC2=CC=C1 HY-111430 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.1613 COC1=CC=CC2=CC=CC=C21 HY-W012568 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 HY-W017241R [0,1,0,0,0,0|1,0,0]=2 42 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 HY-59243 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.5179 O=C1C=COC2=CC(O)=CC=C12 HY-N6596 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.53 O=CC1=CC=CC=C1C(=O)O HY-Y1771 [0,0,1,0,0,0|3,0,0]=4 45 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355R [0,0,0,0,1,0|3,0,0]=4 47 B11R2.1 CN1C=CC2=C1C=CC=C2 HY-Y1162 [0,0,0,0,1,0|3,0,0]=4 48 B11R2.1 ClC1=CNC2=C1C=CC=C2 HY-65119 [0,0,0,0,1,0|3,0,0]=4 49 B11R2.1 ON1N=NC2=CC=CN=C21 HY-Z0275 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.106 BrC1=CC=CC2=C1C=NN2 HY-69085 [0,0,0,0,1,0|3,0,0]=4 51 B11R2.106 BrC1=CC=CC2=C1NC=C2 HY-W002687 [0,0,0,0,1,0|1,0,1]=3 52 B11R2.106 BrC1=CC=NC2=C1C=CN2 HY-30014 [0,0,0,0,1,0|3,0,0]=4 53 B11R2.106 CC1=C2NC=CC2=CC=C1 HY-W007670 [0,0,0,0,1,0|1,0,1]=3 54 B11R2.106 ClC1=C2C=CNC2=NC=C1 HY-30013 [0,0,0,0,1,0|3,0,0]=4 55 B11R2.106 ClC1=C2SC=CC2=CC=N1 HY-W058182 [0,0,0,0,1,0|3,0,0]=4 56 B11R2.106 FC1=CC=CC2=C1NC=C2 HY-W007613 [0,0,0,0,1,0|1,0,1]=3 57 B11R2.106 FC1=CC=CC2=NON=C12 HY-D0111 [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 OC1=C2C=CNC2=NC=N1 HY-77543 [0,0,0,0,1,0|3,0,0]=4 59 B11R2.106 OC1=CC=CC2=C1C=CN2 HY-34596 [0,0,0,0,1,0|1,0,0]=2 60 B11R2.106 OC1=CC=CC2=C1C=CN2 HY-34596R [0,0,0,0,1,0|1,0,0]=2 61 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 HY-50517 [0,0,0,0,1,0|1,0,2]=4 62 B10R1.4 O\N=C\C1=CC=CC=C1O HY-D0216 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [1,0,1,0,0,0|0,0,2]=4 64 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [1,0,1,0,0,0|1,0,0]=3 65 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [1,0,1,0,0,0|1,0,1]=4 67 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030A [1,0,1,0,0,0|2,0,0]=4 69 B12R1.121 COC1=CC=CC=C1\C=C\C=O HY-W046353 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531R [0,1,1,0,0,0|2,0,0]=4 72 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 HY-N7127 [0,1,1,0,0,0|1,0,0]=3 73 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357R [0,1,1,0,0,0|1,0,0]=3 75 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O HY-100807 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O HY-100807R [0,1,1,0,0,0|2,0,0]=4 77 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 HY-69055 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 HY-W004432 [1,1,0,0,0,0|0,0,0]=2 79 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 HY-69092 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 HY-W007403 [1,1,0,0,0,0|0,0,0]=2 81 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 HY-69094 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 HY-124451 [1,1,0,0,0,0|1,0,0]=3 83 B12R2.24 NC1=CC=C2N=CC=CC2=C1 HY-W007404 [1,1,0,0,0,0|0,0,0]=2 84 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HY-W007524 [1,1,0,0,0,0|0,0,0]=2 85 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HY-W017519 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.24 OC1=CC=C2C=CC=CC2=C1 HY-Y0110 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.1 OCC1=CNC2=C1C=CC=C2 HY-N0170 [0,1,0,0,1,0|2,0,0]=4 89 B12R2.315 COC1=C2C=CNC2=CC=C1 HY-59301 [0,1,0,0,1,0|1,0,0]=3 90 B12R2.315 COC1=CC=CC2=C1NC=C2 HY-W001536 [0,1,0,0,1,0|0,0,1]=3 91 B12R2.315 NCC1=CC=CC2=C1C=CN2 HY-W046161 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.315 O=CC1=C2C=CNC2=CC=C1 HY-W001288 [0,1,0,0,1,0|1,0,1]=4 93 B12R2.315 O=CC1=CC=CC2=C1NC=C2 HY-W008013 [0,1,0,0,1,0|0,0,2]=4 94 B14R2.203 O=CC1=C(O)C=CC2=CC=CC=C21 HY-W016889 [0,2,0,0,0,0|1,0,1]=4 95 B14R2.7724 CC1=C(O)C2=CC=CC=C2C(O)=C1 HY-W128525 [0,2,0,0,0,0|1,0,0]=3 96 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O HY-B0332 [0,2,0,0,0,0|1,0,1]=4 97 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O HY-B0332R [0,2,0,0,0,0|1,0,1]=4 98 B14R2.7724 CC1=CC(N)=C2C=CC=CC2=C1O HY-N2552 [0,2,0,0,0,0|1,0,0]=3 99 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 HY-N2493 [0,2,0,0,0,0|1,0,1]=4 100 B14R2.7724 OC1=C2N=CC=CC2=C(Br)C=C1Br HY-B1212 [0,2,0,0,0,0|0,0,0]=2 101 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1Cl HY-B0295 [0,2,0,0,0,0|0,0,0]=2 102 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1I HY-14603 [0,2,0,0,0,0|0,0,0]=2 103 B14R2.7724 OC1=C2N=CC=CC2=C(I)C=C1I HY-B1400 [0,2,0,0,0,0|0,0,0]=2 104 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 HY-W016840 [0,2,0,0,0,0|0,0,0]=2 105 B14R2.8045 CC1=NC2=C(O)C=CC=C2C(=O)N1 HY-15044 [0,2,0,0,0,0|1,0,0]=3 106 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 HY-138545 [0,2,0,0,0,0|2,0,0]=4 107 B14R2.8751 CC1=CC2=C(C=C1)C(=O)C=CC2=O HY-W585943 [0,2,0,0,0,0|1,0,1]=4 108 B14R2.28480 O=C1C=COC2=CC(O)=CC(O)=C12 HY-N1970 [0,2,0,0,0,0|2,0,0]=4 109 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 HY-W072009 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.1131 COC1=C2C=CC=NC2=C(N)C=C1 HY-W007287 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.1131 O=NC1=C2C=CC=NC2=C(O)C=C1 HY-W016794 [0,2,0,0,0,0|0,0,0]=2 112 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 HY-W016876 [0,2,0,0,0,0|1,0,0]=3 113 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 HY-D0222 [0,2,0,0,0,0|2,0,0]=4 114 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 HY-75070 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 HY-Y0236 [0,2,0,0,0,0|1,0,0]=3 116 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CC=N2 HY-W004029 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.31359 O=C(O)C1=CC=CC2=C1N=CC=C2 HY-W007371 [0,2,0,0,0,0|0,0,0]=2 118 B14R2.31359 O=C(O)C1=CC=NC2=CC=CC=C21 HY-Y0057 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.31359 OB(O)C1=C2C=CC=CC2=CC=C1 HY-78494 [0,2,0,0,0,0|1,0,0]=3 120 B14R2.31359 OB(O)C1=CC=CC2=C1C=CC=N2 HY-W003017 [0,2,0,0,0,0|2,0,0]=4 121 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 HY-W013570 [0,1,0,1,0,0|2,0,0]=4 122 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132 [1,0,0,0,1,0|0,0,1]=3 123 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132R [1,0,0,0,1,0|0,0,1]=3 124 B10R2.7 C1=CC2=CN=CC=C2N1 HY-W002711 [1,0,0,0,1,0|1,0,1]=4 125 B10R2.7 C1=CC2=NSN=C2C=C1 HY-W017038 [1,0,0,0,1,0|2,0,0]=4 126 B10R2.7 C1=CC=C2NC=NC2=C1 HY-Y1825 [1,0,0,0,1,0|1,0,0]=3 127 B10R2.7 C1=CC=C2NN=CC2=C1 HY-40294 [1,0,0,0,1,0|1,0,1]=4 128 B10R2.7 C1=CC=C2ON=CC2=C1 HY-W103317 [1,0,0,0,1,0|2,0,0]=4 129 B10R2.7 C1=CC=C2SC=NC2=C1 HY-W012634 [1,0,0,0,1,0|1,0,0]=3 130 B10R2.7 C1=CN2C=CN=C2C=N1 HY-33939 [1,0,0,0,1,0|2,0,0]=4 131 B10R2.7 C1=CN=C2C=CNC2=C1 HY-20362 [1,0,0,0,1,0|1,0,0]=3 132 B10R2.7 C1=CN=C2NC=CC2=C1 HY-50542 [1,0,0,0,1,0|1,0,0]=3 133 B10R2.7 C1=CN=C2NN=CC2=C1 HY-W000643 [1,0,0,0,1,0|2,0,0]=4 134 B10R2.7 C1=NC=C2NC=NC2=C1 HY-W005266 [1,0,0,0,1,0|2,0,0]=4