0 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,0,0,0,0,0|2,0,1]=3 14 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,0,0,0,0,0|1,0,2]=3 16 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,0,0,0,0,0|0,0,0]=0 17 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,0,0,0,0,0|0,0,4]=4 18 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [0,0,0,0,0,0|0,0,4]=4 21 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,0,0,0,0,0|0,1,1]=2 22 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,0|0,0,1]=2 24 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,0|1,0,0]=2 25 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,0|1,0,0]=2 26 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,0|1,0,1]=3 27 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,0|0,1,1]=3 30 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.32 NC1=CN=C2C=CC=NC2=C1I ADE000871 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 OC1=C(C=NC2=CC=CN=C12)Br T316318 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.32 OC1=CN=C2C=CC=NC2=C1I ADE000865 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,0|1,0,0]=2 51 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,0|3,0,0]=4 53 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,0|1,0,0]=2 54 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,0|1,0,0]=2 59 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,0|1,0,1]=3 67 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [0,1,0,0,0,0|1,0,0]=2 83 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,1,0,0,0,0|1,0,0]=2 85 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.342 CC1=CC=CC2=C(N=CN=C12)Cl CDS005205 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.342 ClC1=CC=CC2=C1N=CN=C2Cl CDS020951 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [0,1,0,0,0,0|1,0,0]=2 96 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [0,1,0,0,0,0|1,0,0]=2 98 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [0,1,0,0,0,0|1,0,0]=2 100 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [0,1,0,0,0,0|1,0,0]=2 101 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [0,1,0,0,0,0|1,0,0]=2 102 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [0,1,0,0,0,0|1,0,0]=2 105 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,1,0,0,0,0|0,0,0]=1 106 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [0,1,0,0,0,0|1,0,0]=2 107 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,1,0,0,0,0|2,0,1]=4 109 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [0,1,0,0,0,0|0,0,0]=1 111 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [0,1,0,0,0,0|2,0,1]=4 112 B13R2.1613 BrCC1=CC=CC2=C1N=CC=C2 PH010429 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S633127 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S697117 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S920983 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 CBR02445 [0,1,0,0,0,0|1,0,0]=2 121 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [0,1,0,0,0,0|2,0,0]=3 122 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [0,1,0,0,0,0|0,0,0]=1 125 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [0,1,0,0,0,0|1,0,1]=3 127 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [0,1,0,0,0,0|1,0,0]=2 131 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,0|3,0,0]=4 132 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,0|3,0,0]=4 137 B13R2.5179 ClC1=NC=NC2=CC(=CN=C12)Br ADE000062 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,0|2,0,1]=4 145 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.5179 NC1=NC=NC2=CC(=CN=C12)Br ADE000063 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,0,0,0|2,0,1]=4 150 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.5179 OC1=NC=NC2=CC(=CN=C12)Br ADE000060 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,0,1,0,0,0|1,0,2]=4 154 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,0,1,0,0,0|1,0,1]=3 155 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,0,1,0,0,0|1,0,2]=4 156 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,0,1,0,0,0|2,0,1]=4 157 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,0,1,0,0,0|2,0,1]=4 158 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,0,1,0,0,0|2,0,1]=4 159 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,0,1,0,0,0|2,0,0]=3 160 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,0,1,0,0,0|2,0,0]=3 162 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,1,0|3,0,0]=4 163 B11R2.1 BrC1=CSC2=CN=CN=C12 SYX00430 [0,0,0,0,1,0|3,0,0]=4 164 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,0,0,0,1,0|3,0,0]=4 165 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,0,0,0,1,0|3,0,0]=4 166 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,0,0,0,1,0|3,0,0]=4 167 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,1,0|2,1,0]=4 168 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,0,0,0,1,0|2,0,0]=3 169 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [0,0,0,0,1,0|3,0,0]=4 170 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,0,0,0,1,0|3,0,0]=4 171 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,0,0,0,1,0|3,0,0]=4 172 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,0,0,0,1,0|2,0,1]=4 173 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,0,0,0,1,0|3,0,0]=4 174 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,0,0,0,1,0|2,0,1]=4 175 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,0,0,0,1,0|3,0,0]=4 176 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,0,0,0,1,0|3,0,0]=4 177 B11R2.106 ClC1=NC=CN2C1=CC=C2 SYX00428 [0,0,0,0,1,0|3,0,0]=4 178 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,0,0,0,1,0|3,0,0]=4 179 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,0,0,0,1,0|3,0,0]=4 180 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,0,0,0,1,0|3,0,0]=4 181 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,0,0,0,1,0|3,0,0]=4 182 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,0,0,0,1,0|2,0,1]=4 183 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,0,0,0,1,0|2,0,1]=4 184 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,0,0,0,1,0|2,0,0]=3 185 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,0,0,0,1,0|1,0,0]=2 186 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,0,0,0,1,0|1,0,0]=2 187 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,0,0,0,1,0|0,0,1]=2 188 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,0,0,0,1,0|2,0,0]=3 189 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,0,0,0,1,0|2,0,0]=3 190 B11R2.106 OC1=NC=CC2=NC=NN12 SYX00161 [0,0,0,0,1,0|3,0,0]=4 191 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,0,0,0,1,0|1,0,2]=4 192 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,0,1,0,0,0|2,0,0]=4 193 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,0,1,0,0,0|1,0,1]=4 195 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|1,0,1]=4 196 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|1,0,1]=4 197 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,1,0,0,0|0,0,2]=4 198 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|1,0,1]=4 199 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,1,0,0,0|1,0,1]=4 200 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|2,0,0]=4 201 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|1,0,1]=4 202 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,1,0,0,0|2,0,0]=4 203 B12R1.121 C=CCOC1=CC=CC=C1CO CDS022711 [0,1,1,0,0,0|1,0,1]=4 204 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,1,1,0,0,0|1,0,1]=4 205 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [0,1,1,0,0,0|0,0,2]=4 208 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,1,1,0,0,0|2,0,0]=4 211 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,1,1,0,0,0|1,0,1]=4 212 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [1,1,0,0,0,0|1,0,0]=3 213 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,1,0,0,0,0|1,0,0]=3 215 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [1,1,0,0,0,0|1,0,1]=4 216 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,1,0,0,0,0|1,0,0]=3 217 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,1,0,0,0,0|0,0,0]=2 221 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,1,0,0,0,0|1,0,0]=3 222 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [1,1,0,0,0,0|1,0,0]=3 223 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,1,0,0,0,0|1,0,0]=3 224 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,1,0,0,0,0|0,0,0]=2 226 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,1,0,0,0,0|1,0,0]=3 228 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [1,1,0,0,0,0|1,0,0]=3 229 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,1,0,0,0,0|1,0,0]=3 230 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,1,0,0,0,0|0,0,0]=2 231 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,1,0,0,0,0|0,0,0]=2 232 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [1,1,0,0,0,0|1,0,0]=3 233 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,0,1,0|2,0,0]=4 234 B12R2.132 ClC1=CC=C2NC=C(C2=N1)I ADE001376 [0,1,0,0,1,0|2,0,0]=4 235 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,1,0,0,1,0|2,0,0]=4 236 B12R2.612 BrC1=CN=C2C(=CNC2=C1)I ADE000951 [0,1,0,0,1,0|2,0,0]=4 237 B12R2.612 CN1C=CC2=CC(=CN=C12)O ADE000927 [0,1,0,0,1,0|2,0,0]=4 238 B12R2.82 OC1=C2C=CNC2=NC=C1Cl ADE000990 [0,1,0,0,1,0|2,0,0]=4 239 B12R2.82 OC1=C2C=CNC2=NC=C1F ADE001023 [0,1,0,0,1,0|2,0,0]=4 240 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,1,0|2,0,0]=4 241 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [0,1,0,0,1,0|2,0,0]=4 242 B12R2.202 ClC1=CC=CC2=C1N=C(S2)Cl R439088 [0,1,0,0,1,0|2,0,0]=4 243 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,1,0,0,1,0|2,0,0]=4 244 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,1,0,0,1,0|1,0,0]=3 245 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,1,0,0,1,0|2,0,0]=4 246 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,1,0,0,1,0|2,0,0]=4 247 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,1,0,0,1,0|2,0,0]=4 248 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,1,0,0,1,0|2,0,0]=4 249 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,0,1,0|2,0,0]=4 250 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,1,0,0,1,0|2,0,0]=4 251 B12R2.246 BrC1=CN2C=CN=C2C(=C1)I ADE001431 [0,1,0,0,1,0|2,0,0]=4 252 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,1,0,0,1,0|2,0,0]=4 253 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,1,0,0,1,0|2,0,0]=4 254 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [0,1,0,0,1,0|2,0,0]=4 255 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,1,0|1,0,1]=4 256 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [0,1,0,0,1,0|2,0,0]=4 257 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,1,0,0,1,0|2,0,0]=4 258 B12R2.315 N#CC1=CC=CC2=C1NC=C2 CDS008484 [0,1,0,0,1,0|1,0,1]=4 259 B12R2.315 OCC1=CC=CC2=C1C=CN2 CDS004744 [0,1,0,0,1,0|1,0,0]=3 260 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,1,0,0,1,0|0,0,1]=3 261 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,0,0,1|1,0,0]=3 262 B14R2.2014 O/N=C/1\C=CC=CC2=CC=CC=C12 T176508 [0,1,0,0,0,1|1,0,0]=3 263 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,2,0,0,0,0|2,0,0]=4 264 B14R2.92 COC1=CN=C2C=CC=NC2=C1I ADE000869 [0,2,0,0,0,0|2,0,0]=4 265 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [0,2,0,0,0,0|0,0,0]=2 266 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,2,0,0,0,0|1,0,0]=3 267 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,2,0,0,0,0|1,0,1]=4 268 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [0,2,0,0,0,0|1,0,0]=3 269 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,2,0,0,0,0|2,0,0]=4 270 B14R2.7724 NC1=C(C=C(C2=C1N=CC=C2)Br)Br S197874 [0,2,0,0,0,0|1,0,0]=3 271 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,2,0,0,0,0|1,0,0]=3 272 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Br BBO000313 [0,2,0,0,0,0|1,0,0]=3 273 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)N)Br BBO000604 [0,2,0,0,0,0|1,0,0]=3 274 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br BBO000312 [0,2,0,0,0,0|1,0,0]=3 275 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [0,2,0,0,0,0|1,0,0]=3 276 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)Cl BBO000148 [0,2,0,0,0,0|1,0,0]=3 277 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)N BBO000158 [0,2,0,0,0,0|1,0,0]=3 278 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,2,0,0,0,0|1,0,0]=3 279 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,2,0,0,0,0|1,0,0]=3 280 B14R2.8038 ClC1=C(C2=NC=CC(=C2C=C1)Br)Cl BBO000594 [0,2,0,0,0,0|1,0,0]=3 281 B14R2.8038 ClC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000146 [0,2,0,0,0,0|1,0,0]=3 282 B14R2.8038 ClC1=CN=C2C(=NC=CC2=C1Cl)Cl PHB00062 [0,2,0,0,0,0|2,0,0]=4 283 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Br)F BBO000602 [0,2,0,0,0,0|1,0,0]=3 284 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Cl)F BBO000601 [0,2,0,0,0,0|1,0,0]=3 285 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Br)Cl BBO000625 [0,2,0,0,0,0|1,0,0]=3 286 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Cl)Cl BBO000616 [0,2,0,0,0,0|1,0,0]=3 287 B14R2.8038 NC1=C2C=CC(=C(C2=NC=C1)F)F BBO000603 [0,2,0,0,0,0|1,0,0]=3 288 B14R2.8038 NC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000155 [0,2,0,0,0,0|1,0,0]=3 289 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)Br)Br BBO000329 [0,2,0,0,0,0|1,0,0]=3 290 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br BBO000327 [0,2,0,0,0,0|1,0,0]=3 291 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [0,2,0,0,0,0|1,0,0]=3 292 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,2,0,0,0,0|2,0,0]=4 293 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,2,0,0,0,0|2,0,0]=4 294 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,2,0,0,0,0|2,0,0]=4 295 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,2,0,0,0,0|2,0,0]=4 296 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Br BBO000328 [0,2,0,0,0,0|2,0,0]=4 297 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Cl BBO000613 [0,2,0,0,0,0|2,0,0]=4 298 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,2,0,0,0,0|2,0,0]=4 299 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,2,0,0,0,0|2,0,0]=4 300 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Br BBO000235 [0,2,0,0,0,0|1,0,0]=3 301 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Cl BBO000144 [0,2,0,0,0,0|1,0,0]=3 302 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [0,2,0,0,0,0|1,0,0]=3 303 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,2,0,0,0,0|1,0,0]=3 304 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,2,0,0,0,0|1,0,0]=3 305 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,2,0,0,0,0|1,0,0]=3 306 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,2,0,0,0,0|1,0,0]=3 307 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,2,0,0,0,0|1,0,0]=3 308 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)N)Cl BBO000160 [0,2,0,0,0,0|1,0,0]=3 309 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,2,0,0,0,0|1,0,0]=3 310 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [0,2,0,0,0,0|1,0,0]=3 311 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br BBO000310 [0,2,0,0,0,0|1,0,0]=3 312 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl BBO000763 [0,2,0,0,0,0|1,0,0]=3 313 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl CDS019164 [0,2,0,0,0,0|1,0,0]=3 314 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,2,0,0,0,0|1,0,0]=3 315 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl BBO000314 [0,2,0,0,0,0|1,0,0]=3 316 B14R2.8045 CC1=CC=C[N+]2=C1N=C(C=C2C)C R606456 [0,2,0,0,0,0|2,0,0]=4 317 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,2,0,0,0,0|1,0,0]=3 318 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,2,0,0,0,0|1,0,0]=3 319 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,2,0,0,0,0|1,0,0]=3 320 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,2,0,0,0,0|1,0,0]=3 321 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,2,0,0,0,0|1,0,0]=3 322 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,2,0,0,0,0|1,0,0]=3 323 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,2,0,0,0,0|1,0,0]=3 324 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,2,0,0,0,0|1,0,0]=3 325 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,2,0,0,0,0|1,0,0]=3 326 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,2,0,0,0,0|1,0,0]=3 327 B14R2.8045 FC1=CC2=C(C=CN=C2C(=C1)F)Cl BBO000309 [0,2,0,0,0,0|1,0,0]=3 328 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000761 [0,2,0,0,0,0|1,0,0]=3 329 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl CDS017170 [0,2,0,0,0,0|1,0,0]=3 330 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br IDF00069 [0,2,0,0,0,0|2,0,0]=4 331 B14R2.8045 O=C1C=COC2=C1C=C(C=C2Cl)Cl IDF00033 [0,2,0,0,0,0|2,0,0]=4 332 B14R2.8045 O=C1NC=NC2=C1C=C(C=C2Cl)Cl PH003370 [0,2,0,0,0,0|2,0,0]=4 333 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000178 [0,2,0,0,0,0|1,0,0]=3 334 B14R2.8045 OC1=NC=NC2=C1C=C(C=C2I)I S188085 [0,2,0,0,0,0|2,0,0]=4 335 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,2,0,0,0,0|2,0,0]=4 336 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,2,0,0,0,0|2,0,0]=4 337 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,2,0,0,0,0|2,0,0]=4 338 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [0,2,0,0,0,0|0,0,0]=2 339 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [0,2,0,0,0,0|1,0,0]=3 340 B14R2.8751 OC1=CC=C(C2=C1CC=C(C2)Cl)O T306673 [0,2,0,0,0,0|1,0,1]=4 341 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,2,0,0,0,0|1,0,0]=3 342 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [0,2,0,0,0,0|1,0,0]=3 343 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [0,2,0,0,0,0|0,0,0]=2 344 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)Cl CDS009012 [0,2,0,0,0,0|0,0,0]=2 345 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,2,0,0,0,0|2,0,0]=4 346 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,2,0,0,0,0|1,0,0]=3 347 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,2,0,0,0,0|1,0,0]=3 348 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,2,0,0,0,0|2,0,0]=4 349 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,2,0,0,0,0|2,0,0]=4 350 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,2,0,0,0,0|2,0,0]=4 351 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [0,2,0,0,0,0|2,0,0]=4 352 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,2,0,0,0,0|2,0,0]=4 353 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,2,0,0,0,0|2,0,0]=4 354 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,2,0,0,0,0|2,0,0]=4 355 B14R2.29365 CC1=NC2=CC(=CN=C2C(=N1)O)Br ADE000061 [0,2,0,0,0,0|2,0,0]=4 356 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,2,0,0,0,0|2,0,0]=4 357 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2Cl S581410 [0,2,0,0,0,0|1,0,0]=3 358 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2O S581569 [0,2,0,0,0,0|1,0,0]=3 359 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)Cl BBO000177 [0,2,0,0,0,0|0,0,0]=2 360 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)Br BBO000277 [0,2,0,0,0,0|0,0,0]=2 361 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O BBO000717 [0,2,0,0,0,0|0,0,0]=2 362 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O CDS005733 [0,2,0,0,0,0|0,0,0]=2 363 B14R2.1078 NNC1=CC=NC2=C(C=CC=C12)F BBO000540 [0,2,0,0,0,0|1,0,0]=3 364 B14R2.1078 NNC1=CC=NC2=C1C=CC=C2F PH018683 [0,2,0,0,0,0|1,0,0]=3 365 B14R2.8051 CC1=C2C=CC=C(C2=[N+](C=C1)C)O S196592 [0,2,0,0,0,0|0,0,1]=3 366 B14R2.8051 CC1=CC=C(C2=C(C=CN=C12)O)C BBO000771 [0,2,0,0,0,0|1,0,0]=3 367 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Br)F BBO000599 [0,2,0,0,0,0|1,0,0]=3 368 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Cl)F BBO000308 [0,2,0,0,0,0|1,0,0]=3 369 B14R2.8051 OC1=C2C(=CC=C(C2=NC=C1)F)F BBO000300 [0,2,0,0,0,0|1,0,0]=3 370 B14R2.1131 CC1=C2N=CC=CC2=C(C=C1)C=O CBR01746 [0,2,0,0,0,0|1,0,0]=3 371 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CCl PH014576 [0,2,0,0,0,0|2,0,0]=4 372 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CO S929115 [0,2,0,0,0,0|1,0,0]=3 373 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Cl PH007974 [0,2,0,0,0,0|0,0,0]=2 374 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)C S677035 [0,2,0,0,0,0|1,0,0]=3 375 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)I R268739 [0,2,0,0,0,0|1,0,0]=3 376 B14R2.1131 N#CC1=CC=C(C2=CC=CN=C12)O PH017350 [0,2,0,0,0,0|1,0,0]=3 377 B14R2.1131 N#CC1=CC=C(C2=NC=CC=C12)O PH017864 [0,2,0,0,0,0|0,0,0]=2 378 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CDS018146 [0,2,0,0,0,0|0,0,0]=2 379 B14R2.1131 O=NC1=CC=C(C2=C1C=CC=C2)O PH007264 [0,2,0,0,0,0|1,0,0]=3 380 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl TMT00007 [0,2,0,0,0,0|0,0,0]=2 381 B14R2.1131 OCC1=CC=C(C2=C1C=CC=N2)O PH010379 [0,2,0,0,0,0|0,0,0]=2 382 B14R2.1073 COC1=C2N=CC(=CC2=CC=C1)N BBO000639 [0,2,0,0,0,0|0,0,0]=2 383 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,2,0,0,0,0|1,0,1]=4 384 B14R2.7150 C=CCC1=CC=CC2=C1C=CC=C2 S731293 [0,2,0,0,0,0|2,0,0]=4 385 B14R2.7150 CCOC1=CC=CC2=C1N=CC=C2 S834785 [0,2,0,0,0,0|0,0,0]=2 386 B14R2.7150 CNCC1=CC=CC2=C1C=CC=C2 PH011042 [0,2,0,0,0,0|2,0,0]=4 387 B14R2.7150 OCC[N+]1=CC=CC2=C1C=CC=C2 S879649 [0,2,0,0,0,0|2,0,0]=4 388 B14R2.11635 COC1=CC=CC2=C1C(=CC=C2)N T279714 [0,2,0,0,0,0|1,0,0]=3 389 B14R2.11635 OCC1=CC=CC2=C1C(=CC=C2)Br S57801 [0,2,0,0,0,0|1,0,0]=3 390 B14R2.31359 C=C(C)C1=CC=CC2=C1C=CC=C2 T281565 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 PH011547 [0,2,0,0,0,0|1,0,1]=4 392 B14R2.31359 O=C(O)C1=CC=CC2=CC=NC=C12 CDS019197 [0,2,0,0,0,0|2,0,0]=4 393 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 CDS001076 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,2,0,0,0,0|2,0,0]=4 395 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,2,0,0,0,0|2,0,0]=4 396 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,0,1,1,0,0|2,0,0]=4 397 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,0,1,1,0,0|2,0,0]=4 398 B12R2.2 C1=CSC(=C1)C2=CN=CC=N2 T318299 [0,0,1,1,0,0|1,1,0]=4 399 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,0,1,1,0,0|1,0,1]=4 400 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,0,1,1,0,0|1,0,1]=4 401 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,0,1,1,0,0|1,0,1]=4 402 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,0,1,1,0,0|2,0,0]=4 403 B12R2.41 C1=CNC2=C(C=CC=C2)[NH+]=C1 L162892 [0,0,1,1,0,0|1,0,1]=4 404 B10R1.21 O/N=C/C=C/C1=CC=CO1 S836478 [0,0,1,0,1,0|2,0,0]=4 405 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,1,0|1,0,0]=3 406 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,1,0|1,0,0]=3 407 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,1,0|1,0,1]=4 408 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,1,0|1,0,1]=4 409 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,1,0|2,0,0]=4 410 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,1,0|2,0,0]=4 411 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,1,0|2,0,0]=4 412 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,1,0|2,0,0]=4 413 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,1,0|1,0,0]=3 414 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,1,0|2,0,0]=4 415 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [1,0,0,0,1,0|2,0,0]=4 416 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [1,0,0,0,1,0|2,0,0]=4 417 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,1,0|1,0,1]=4 418 B14R2.391 O=C1C=CC=CC2=CC=CC=C2N1 T176494 [0,0,0,0,0,2|1,0,1]=4