0 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,0,0,0|0,0,4]=4 2 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,0,0,0,0|1,0,0]=1 4 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,0,0,0|1,0,2]=3 6 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,0,0,0|1,0,3]=4 10 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,0,0,0|1,0,3]=4 11 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,0,0,0|2,0,2]=4 12 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,0,0,0|0,0,0]=1 15 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,1,0,0,0,0|1,0,0]=2 16 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,0,0,0|0,0,1]=2 19 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,0,0,0|0,0,0]=1 20 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,0,0,0|0,0,0]=1 21 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,0,0,0|0,0,0]=1 27 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,0,0,0|0,0,0]=1 29 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,1,0,0,0,0|1,0,0]=2 30 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,1,0,0,0,0|1,0,0]=2 32 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,0,0,0|1,0,1]=3 33 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,0,0,0|2,0,1]=4 40 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,0,0,0|1,0,2]=4 42 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,1,0,0,0,0|1,0,0]=2 43 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,0,0,0|0,0,2]=3 44 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,0,0,0|2,0,0]=3 45 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,0,0,0|0,0,0]=1 47 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,1,0,0,0,0|1,0,0]=2 48 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,1,0,0,0,0|1,0,0]=2 51 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,0,0,0|0,0,0]=1 52 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,0,0,0|1,0,0]=2 53 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,0,0,0|0,0,0]=1 54 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,0,0,0|2,0,0]=3 55 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,0,0,0|2,0,0]=3 57 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,0,0,0|0,0,3]=4 58 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,0,0,0|2,0,1]=4 59 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,0,0,0|1,0,2]=4 60 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,0,0,0|1,0,2]=4 61 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,0,0,0|1,0,0]=2 62 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,0,0,0|1,0,1]=3 63 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,0,0,0|2,0,0]=3 64 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,0,0,0|0,0,0]=1 65 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,0,0,0|0,0,0]=1 66 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,0,1,0,0,0|3,0,0]=4 70 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,0,1,0,0,0|3,0,0]=4 71 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,0,1,0,0,0|3,0,0]=4 72 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,0,1,0,0,0|2,0,1]=4 73 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,0,1,0,0,0|2,0,1]=4 74 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,0,1,0,0,0|3,0,0]=4 75 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,0,1,0,0,0|3,0,0]=4 76 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,0,1,0,0,0|2,0,0]=3 77 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,0,1,0,0,0|2,0,1]=4 78 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,0,1,0,0,0|3,0,0]=4 79 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,1,0,0,0|2,0,1]=4 80 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,1,0,0,0|2,0,0]=3 81 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,1,0,0,0|3,0,0]=4 82 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,1,0,0,0|2,0,1]=4 83 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,1,0,0,0|2,0,1]=4 84 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,1,0,0,0|2,0,0]=3 85 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,1,0,0,0|1,0,1]=3 86 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,0,1,0,0,0|1,0,1]=3 87 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,0,1,0,0,0|3,0,0]=4 88 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,0,1,0|1,0,0]=2 89 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,0,1,0|1,0,2]=4 90 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,0,1,0|1,0,0]=2 91 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,0,1,0|1,0,0]=2 92 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,0,1,0|2,0,0]=3 93 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,0,1,0|1,0,0]=2 94 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,0,1,0|2,0,0]=3 95 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [0,0,0,0,1,0|2,0,0]=3 96 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,0,1,0|1,0,0]=2 97 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,0,0,0,1,0|2,0,0]=3 98 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [0,0,0,0,1,0|2,0,0]=3 99 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,0,1,0|1,0,1]=3 100 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,0,1,0|2,0,0]=3 101 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [0,0,0,0,1,0|3,0,0]=4 102 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [0,0,0,0,1,0|3,0,0]=4 103 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,0,1,0|1,0,1]=3 104 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [0,0,0,0,0,1|1,0,1]=3 105 B12R2.41 C1=CNC2=C(C=CC=C2)[NH+]=C1 L162892 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,1,0,0,0|1,0,0]=3 107 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,1,0,0,0|1,0,1]=4 109 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,1,0,0,0|2,0,0]=4 110 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,1,0,0,0|1,0,1]=4 111 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,1,0,0,0|2,0,0]=4 112 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.17 C=CCOC1=C(C=CN=C1)I PH017301 [0,1,1,0,0,0|1,0,1]=4 115 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,1,1,0,0,0|1,0,1]=4 116 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,1,1,0,0,0|1,0,1]=4 117 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,1,1,0,0,0|1,0,1]=4 118 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,1,1,0,0,0|1,0,1]=4 119 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.81 O/N=C\C1=CC=C(C=C1Cl)Cl PH008974 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,1,0,0,0|1,0,1]=4 122 B11R1.182 O/N=C/C1=CC(=CC=C1Cl)Cl PH011150 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,1,0,0,0|2,0,0]=4 126 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.605 C=CCC1=C(C=CN=C1Cl)I ADE000600 [0,1,1,0,0,0|1,0,1]=4 128 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,1,1,0,0,0|1,0,1]=4 129 B11R1.605 ON=CC1=C(C=CC=C1Cl)Cl S531391 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,1,0,0,0|1,0,0]=3 135 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,1,0,0,0|1,0,1]=4 137 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,1,0,0,0|1,0,1]=4 138 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,1,0,0,0|0,0,2]=4 143 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,1,0,0,0|0,0,2]=4 144 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,1,0,0,0|1,0,1]=4 145 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,1,0,0,0|0,0,2]=4 146 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,1,1,0,0,0|1,0,1]=4 147 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,1,1,0,0,0|1,0,0]=3 149 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,1,0,0,0|1,0,1]=4 150 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,1,0,0,0|0,0,2]=4 151 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,1,0,0,0|2,0,0]=4 152 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,1,0,0,0|1,0,1]=4 153 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,1,0,0,0|1,0,1]=4 154 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,1,0,0,0|1,0,1]=4 155 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,1,1,0,0,0|2,0,0]=4 156 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,1,0,0,0|2,0,0]=4 158 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,1,0,0,0|2,0,0]=4 159 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,1,0,0,0|2,0,0]=4 160 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,1,1,0,0,0|0,0,2]=4 161 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [0,1,1,0,0,0|1,0,1]=4 162 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,1,1,0,0,0|2,0,0]=4 163 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,1,1,0,0,0|1,0,0]=3 164 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,1,1,0,0,0|2,0,0]=4 165 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,1,0,0,0|1,0,0]=3 169 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,1,1,0,0,0|1,0,1]=4 170 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,0,1,0|1,0,0]=3 171 B11R2.1 BrC1=CSC2=CN=CN=C12 SYX00430 [0,1,0,0,1,0|2,0,0]=4 172 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,1,0,0,1,0|2,0,0]=4 173 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,1,0,0,1,0|2,0,0]=4 174 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,1,0,0,1,0|2,0,0]=4 175 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,1,0,0,1,0|2,0,0]=4 176 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,1,0,0,1,0|1,0,0]=3 177 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,0,1,0|1,0,0]=3 178 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,0,1,0|1,0,0]=3 179 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,1,0,0,1,0|2,0,0]=4 180 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,0,1,0|1,0,1]=4 181 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,1,0,0,1,0|2,0,0]=4 182 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,1,0,0,1,0|2,0,0]=4 183 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,1,0,0,1,0|2,0,0]=4 184 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,0,1,0|1,0,0]=3 185 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,0,1,0|1,0,0]=3 186 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,0,1,0|1,0,0]=3 187 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,1,0,0,1,0|2,0,0]=4 188 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,0,1,0|1,0,0]=3 189 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,1,0,0,1,0|2,0,0]=4 190 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,1,0,0,1,0|2,0,0]=4 191 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,0,1,0|1,0,0]=3 192 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,0,1,0|2,0,0]=4 193 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,0,1,0|0,0,2]=4 194 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,0,1,0|2,0,0]=4 195 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,0,1,0|0,0,1]=3 196 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,0,1,0|1,0,1]=4 197 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,1,0,0,1,0|2,0,0]=4 198 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,1,0,0,1,0|2,0,0]=4 199 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,0,1,0|1,0,0]=3 200 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,0,1,0|1,0,1]=4 201 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,0,1,0|1,0,1]=4 202 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,0,1,0|2,0,0]=4 203 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,0,1,0|1,0,0]=3 204 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,1,0,0,1,0|2,0,0]=4 205 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,0,1,0|1,0,0]=3 206 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [0,1,0,0,1,0|2,0,0]=4 207 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [0,1,0,0,1,0|2,0,0]=4 208 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,1,0,0,1,0|1,0,0]=3 209 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [0,1,0,0,1,0|2,0,0]=4 210 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,1,0,0,1,0|2,0,0]=4 211 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,1,0,0,1,0|1,0,1]=4 212 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,1,0,0,1,0|1,0,1]=4 213 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,0,1,0|1,0,0]=3 214 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,0,1,0|1,0,0]=3 215 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,0,1,0|1,0,0]=3 216 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,1,0,0,1,0|2,0,0]=4 217 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [0,1,0,0,1,0|2,0,0]=4 218 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,1,0,0,1,0|1,0,1]=4 219 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,1,0,0,1,0|2,0,0]=4 220 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [0,1,0,0,1,0|2,0,0]=4 221 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,1,0,0,1,0|2,0,0]=4 222 B11R2.36 BrC1=NC2=C(C=C1)NN=C2 BLN00049 [0,1,0,0,1,0|2,0,0]=4 223 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,1,0,0,1,0|1,0,1]=4 224 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,1,0,0,1,0|1,0,0]=3 225 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,1,0,0,1,0|2,0,0]=4 226 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,1,0,0,1,0|2,0,0]=4 227 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,1,0,0,1,0|1,0,1]=4 228 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,1,0,0,1,0|2,0,0]=4 229 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,0,1,0|1,0,0]=3 230 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,0,1,0|1,0,0]=3 231 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,1,0,0,1,0|2,0,0]=4 232 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,1,0,0,1,0|1,0,0]=3 233 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [0,1,0,0,1,0|2,0,0]=4 234 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,0,1,0|1,0,0]=3 235 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,1,0,0,1,0|2,0,0]=4 236 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,1,0,0,1,0|1,0,1]=4 237 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,0,1,0|1,0,0]=3 238 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [0,1,0,0,1,0|2,0,0]=4 239 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,1,0,0,1,0|1,0,0]=3 240 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,1,0,0,1,0|1,0,1]=4 241 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,0,1,0|2,0,0]=4 242 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,1,0,0,1,0|1,0,1]=4 243 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,1,0,0,1,0|2,0,0]=4 244 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,1,0,0,1,0|2,0,0]=4 245 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,1,0,0,1,0|2,0,0]=4 246 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,1,0,0,1,0|2,0,0]=4 247 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,0,1,0|1,0,0]=3 248 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,0,1,0|1,0,0]=3 249 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,0,1,0|1,0,0]=3 250 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,1,0,0,1,0|1,0,1]=4 251 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,1,0,0,1,0|1,0,1]=4 252 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,1,0,0,1,0|2,0,0]=4 253 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,1,0,0,1,0|1,0,1]=4 254 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [0,1,0,0,1,0|2,0,0]=4 255 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [0,1,0,0,1,0|2,0,0]=4 256 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,0,1,0|1,0,0]=3 257 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,0,1,0|2,0,0]=4 258 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,0,1,0|1,0,0]=3 259 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,1,0,0,1,0|1,0,1]=4 260 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,1,0,0,1,0|1,0,1]=4 261 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,1,0,0,1,0|2,0,0]=4 262 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,0,1,0|1,0,0]=3 263 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,1,0,0,1,0|1,0,1]=4 264 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,0,1,0|2,0,0]=4 265 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,1,0,0,1,0|1,0,1]=4 266 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,1,0,0,1,0|2,0,0]=4 267 B11R2.106 BrC1=C2NN=CC2=CN=C1 BLN00050 [0,1,0,0,1,0|2,0,0]=4 268 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,1,0,0,1,0|2,0,0]=4 269 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,0,1,0|1,0,0]=3 270 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [0,1,0,0,1,0|2,0,0]=4 271 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,1,0,0,1,0|1,0,0]=3 272 B11R2.106 BrC1=CN=CC2=C1C=NN2 BLN00051 [0,1,0,0,1,0|2,0,0]=4 273 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,0,1,0|1,0,0]=3 274 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,0,1,0|1,0,0]=3 275 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,1,0,0,1,0|2,0,0]=4 276 B11R2.106 CC1=CN=CC2=C1NN=C2 BLN00046 [0,1,0,0,1,0|2,0,0]=4 277 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,1,0,0,1,0|1,0,0]=3 278 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,0,1,0|1,0,0]=3 279 B11R2.106 ClC1=CC=CC2=NN=CN12 SYX00172 [0,1,0,0,1,0|2,0,0]=4 280 B11R2.106 ClC1=CN=CC2=C1NN=C2 BLN00071 [0,1,0,0,1,0|2,0,0]=4 281 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,1,0,0,1,0|1,0,0]=3 282 B11R2.106 ClC1=NC=CC2=C1C=NN2 BLN00015 [0,1,0,0,1,0|2,0,0]=4 283 B11R2.106 ClC1=NC=CN2C1=CC=C2 SYX00428 [0,1,0,0,1,0|1,0,0]=3 284 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,1,0,0,1,0|1,0,1]=4 285 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,1,0,0,1,0|1,0,1]=4 286 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,1,0,0,1,0|2,0,0]=4 287 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,1,0,0,1,0|1,0,0]=3 288 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,1,0,0,1,0|1,0,1]=4 289 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,1,0,0,1,0|1,0,1]=4 290 B11R2.106 O=C1NN=CC2=CC=CN12 CBR02207 [0,1,0,0,1,0|2,0,0]=4 291 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,1,0,0,1,0|1,0,1]=4 292 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,0,1,0|1,0,0]=3 293 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,0,1,0|1,0,0]=3 294 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,0,1,0|0,0,1]=3 295 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,0,1,0|2,0,0]=4 296 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,1,0,0,1,0|1,0,0]=3 297 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,1,0,0,1,0|1,0,1]=4 298 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,1,0,0,0,1|1,0,1]=4 299 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,1,0,0,0,1|1,0,0]=3 300 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,2,0,0,0,0|1,0,0]=3 301 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,2,0,0,0,0|2,0,0]=4 302 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,2,0,0,0,0|2,0,0]=4 303 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,2,0,0,0,0|2,0,0]=4 304 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,2,0,0,0,0|2,0,0]=4 305 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,2,0,0,0,0|2,0,0]=4 306 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,2,0,0,0,0|1,0,1]=4 307 B13R2.32 CN1N=NC2=CC=CC=C2C1=S PH007440 [0,2,0,0,0,0|2,0,0]=4 308 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,2,0,0,0,0|2,0,0]=4 309 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,2,0,0,0,0|2,0,0]=4 310 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,2,0,0,0,0|2,0,0]=4 311 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,2,0,0,0,0|1,0,0]=3 312 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,2,0,0,0,0|1,0,0]=3 313 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,2,0,0,0,0|2,0,0]=4 314 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,2,0,0,0,0|2,0,0]=4 315 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,2,0,0,0,0|2,0,0]=4 316 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,2,0,0,0,0|2,0,0]=4 317 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,2,0,0,0,0|1,0,0]=3 318 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,2,0,0,0,0|2,0,0]=4 319 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,2,0,0,0,0|0,0,1]=3 320 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,2,0,0,0,0|2,0,0]=4 321 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,2,0,0,0,0|0,0,0]=2 322 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,2,0,0,0,0|0,0,2]=4 323 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,2,0,0,0,0|2,0,0]=4 324 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,2,0,0,0,0|2,0,0]=4 325 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,2,0,0,0,0|2,0,0]=4 326 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,2,0,0,0,0|2,0,0]=4 327 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,2,0,0,0,0|0,0,0]=2 328 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,2,0,0,0,0|2,0,0]=4 329 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,2,0,0,0,0|0,0,0]=2 330 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,2,0,0,0,0|1,0,0]=3 331 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,2,0,0,0,0|2,0,0]=4 332 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,2,0,0,0,0|2,0,0]=4 333 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,2,0,0,0,0|2,0,0]=4 334 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,2,0,0,0,0|2,0,0]=4 335 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,2,0,0,0,0|2,0,0]=4 336 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,2,0,0,0,0|0,0,0]=2 337 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,2,0,0,0,0|2,0,0]=4 338 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,2,0,0,0,0|2,0,0]=4 339 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,2,0,0,0,0|2,0,0]=4 340 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,2,0,0,0,0|2,0,0]=4 341 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,2,0,0,0,0|1,0,0]=3 342 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,2,0,0,0,0|2,0,0]=4 343 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,2,0,0,0,0|0,0,0]=2 344 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,2,0,0,0,0|2,0,0]=4 345 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,2,0,0,0,0|2,0,0]=4 346 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,2,0,0,0,0|2,0,0]=4 347 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,2,0,0,0,0|1,0,0]=3 348 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,2,0,0,0,0|2,0,0]=4 349 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,2,0,0,0,0|2,0,0]=4 350 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,2,0,0,0,0|2,0,0]=4 351 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,2,0,0,0,0|2,0,0]=4 352 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,2,0,0,0,0|1,0,0]=3 353 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,2,0,0,0,0|2,0,0]=4 354 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,2,0,0,0,0|2,0,0]=4 355 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,2,0,0,0,0|0,0,1]=3 356 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,2,0,0,0,0|2,0,0]=4 357 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,2,0,0,0,0|2,0,0]=4 358 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,2,0,0,0,0|2,0,0]=4 359 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,2,0,0,0,0|1,0,0]=3 360 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,2,0,0,0,0|1,0,0]=3 361 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,2,0,0,0,0|2,0,0]=4 362 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,2,0,0,0,0|1,0,1]=4 363 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,2,0,0,0,0|2,0,0]=4 364 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,2,0,0,0,0|2,0,0]=4 365 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,2,0,0,0,0|2,0,0]=4 366 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,2,0,0,0,0|1,0,0]=3 367 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,2,0,0,0,0|1,0,0]=3 368 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,2,0,0,0,0|0,0,2]=4 369 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,2,0,0,0,0|2,0,0]=4 370 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,2,0,0,0,0|2,0,0]=4 371 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,2,0,0,0,0|1,0,0]=3 372 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,2,0,0,0,0|2,0,0]=4 373 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,2,0,0,0,0|2,0,0]=4 374 B13R2.328 ClC1=NC2=NC=CC=C2C(=N1)Cl PH010601 [0,2,0,0,0,0|2,0,0]=4 375 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,2,0,0,0,0|2,0,0]=4 376 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,2,0,0,0,0|1,0,0]=3 377 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,2,0,0,0,0|0,0,0]=2 378 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,2,0,0,0,0|1,0,0]=3 379 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,2,0,0,0,0|2,0,0]=4 380 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,2,0,0,0,0|1,0,1]=4 381 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,2,0,0,0,0|2,0,0]=4 382 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,2,0,0,0,0|2,0,0]=4 383 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,2,0,0,0,0|0,0,0]=2 384 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,2,0,0,0,0|1,0,1]=4 385 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,2,0,0,0,0|1,0,0]=3 386 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,2,0,0,0,0|0,0,1]=3 387 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,2,0,0,0,0|2,0,0]=4 388 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,2,0,0,0,0|2,0,0]=4 389 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,2,0,0,0,0|1,0,0]=3 390 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,2,0,0,0,0|1,0,0]=3 391 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,2,0,0,0,0|2,0,0]=4 392 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,2,0,0,0,0|2,0,0]=4 393 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,2,0,0,0,0|1,0,0]=3 394 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,2,0,0,0,0|1,0,0]=3 395 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,2,0,0,0,0|1,0,0]=3 396 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,2,0,0,0,0|2,0,0]=4 397 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,2,0,0,0,0|2,0,0]=4 398 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,2,0,0,0,0|2,0,0]=4 399 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,2,0,0,0,0|2,0,0]=4 400 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,2,0,0,0,0|2,0,0]=4 401 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,2,0,0,0,0|2,0,0]=4 402 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,2,0,0,0,0|2,0,0]=4 403 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,2,0,0,0,0|2,0,0]=4 404 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,2,0,0,0,0|2,0,0]=4 405 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,2,0,0,0,0|1,0,1]=4 406 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,2,0,0,0,0|2,0,0]=4 407 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,2,0,0,0,0|1,0,0]=3 408 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,2,0,0,0,0|2,0,0]=4 409 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,2,0,0,0,0|2,0,0]=4 410 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,2,0,0,0,0|2,0,0]=4 411 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,2,0,0,0,0|1,0,0]=3 412 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,2,0,0,0,0|2,0,0]=4 413 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,2,0,0,0,0|2,0,0]=4 414 B13R2.5179 ClC1=NC=NC2=CC(=CN=C12)Br ADE000062 [0,2,0,0,0,0|2,0,0]=4 415 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,2,0,0,0,0|2,0,0]=4 416 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,2,0,0,0,0|2,0,0]=4 417 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,2,0,0,0,0|2,0,0]=4 418 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,2,0,0,0,0|1,0,0]=3 419 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,2,0,0,0,0|1,0,0]=3 420 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,2,0,0,0,0|2,0,0]=4 421 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,2,0,0,0,0|0,0,1]=3 422 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,2,0,0,0,0|2,0,0]=4 423 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,2,0,0,0,0|2,0,0]=4 424 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,2,0,0,0,0|2,0,0]=4 425 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,2,0,0,0,0|1,0,0]=3 426 B13R2.5179 NC1=NC=NC2=CC(=CN=C12)Br ADE000063 [0,2,0,0,0,0|2,0,0]=4 427 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,2,0,0,0,0|2,0,0]=4 428 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,2,0,0,0,0|2,0,0]=4 429 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,2,0,0,0,0|2,0,0]=4 430 B13R2.5179 OC1=NC=NC2=CC(=CN=C12)Br ADE000060 [0,2,0,0,0,0|2,0,0]=4 431 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [0,2,0,0,0,0|2,0,0]=4 432 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [0,2,0,0,0,0|1,0,0]=3 433 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,2,0,0,0,0|2,0,0]=4 434 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [0,2,0,0,0,0|2,0,0]=4 435 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [0,2,0,0,0,0|2,0,0]=4 436 B13R2.342 CC1=CC=CC2=C(N=CN=C12)Cl CDS005205 [0,2,0,0,0,0|1,0,0]=3 437 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [0,2,0,0,0,0|2,0,0]=4 438 B13R2.342 ClC1=CC=CC2=C1N=CN=C2Cl CDS020951 [0,2,0,0,0,0|1,0,0]=3 439 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [0,2,0,0,0,0|2,0,0]=4 440 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [0,2,0,0,0,0|2,0,0]=4 441 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [0,2,0,0,0,0|2,0,0]=4 442 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [0,2,0,0,0,0|2,0,0]=4 443 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [0,2,0,0,0,0|1,0,0]=3 444 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [0,2,0,0,0,0|1,0,0]=3 445 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [0,2,0,0,0,0|2,0,0]=4 446 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [0,2,0,0,0,0|2,0,0]=4 447 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [0,2,0,0,0,0|2,0,0]=4 448 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [0,2,0,0,0,0|2,0,0]=4 449 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [0,2,0,0,0,0|2,0,0]=4 450 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [0,2,0,0,0,0|2,0,0]=4 451 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [0,2,0,0,0,0|2,0,0]=4 452 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,2,0,0,0,0|1,0,0]=3 453 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [0,2,0,0,0,0|1,0,0]=3 454 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [0,2,0,0,0,0|2,0,0]=4 455 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,2,0,0,0,0|2,0,0]=4 456 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [0,2,0,0,0,0|1,0,0]=3 457 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [0,2,0,0,0,0|2,0,0]=4 458 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,2,0,0,0,0|0,0,1]=3 459 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [0,2,0,0,0,0|1,0,0]=3 460 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [0,2,0,0,0,0|1,0,0]=3 461 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [0,2,0,0,0,0|2,0,0]=4 462 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [0,2,0,0,0,0|2,0,0]=4 463 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [0,2,0,0,0,0|2,0,0]=4 464 B13R2.1613 BrCC1=CC=CC2=C1N=CC=C2 PH010429 [0,2,0,0,0,0|2,0,0]=4 465 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S633127 [0,2,0,0,0,0|2,0,0]=4 466 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S697117 [0,2,0,0,0,0|2,0,0]=4 467 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S920983 [0,2,0,0,0,0|2,0,0]=4 468 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,2,0,0,0,0|0,0,0]=2 469 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [0,2,0,0,0,0|2,0,0]=4 470 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,2,0,0,0,0|2,0,0]=4 471 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,2,0,0,0,0|2,0,0]=4 472 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 PH016716 [0,2,0,0,0,0|1,0,0]=3 473 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 CBR02445 [0,2,0,0,0,0|2,0,0]=4 474 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [0,2,0,0,0,0|1,0,0]=3 475 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,2,0,0,0,0|2,0,0]=4 476 B13R2.1613 NNC1=NC=NC2=CC=CC=C12 CBR00329 [0,2,0,0,0,0|1,0,0]=3 477 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,2,0,0,0,0|2,0,0]=4 478 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [0,2,0,0,0,0|2,0,0]=4 479 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [0,2,0,0,0,0|2,0,0]=4 480 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [0,2,0,0,0,0|2,0,0]=4 481 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [0,2,0,0,0,0|0,0,0]=2 482 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [0,2,0,0,0,0|2,0,0]=4 483 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)Br CDS021052 [0,2,0,0,0,0|1,0,0]=3 484 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [0,2,0,0,0,0|1,0,0]=3 485 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [0,2,0,0,0,0|1,0,0]=3 486 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [0,2,0,0,0,0|1,0,1]=4 487 B11R2.1038 C1=CC2C=CC(C=C1)C=C2 T174491 [0,0,1,1,0,0|1,0,1]=4 488 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,1,0,1,0|1,0,1]=4 489 B13R2.67 C1=CC2=C(C=C1)CC=CCC=C2 T185787 [0,0,0,0,0,2|1,0,0]=3 490 B13R2.67 C1=CC=CC2=C(C=C1)C=CC=C2 T185752 [0,0,0,0,0,2|1,0,0]=3 491 B13R2.2294 C1=CC=C2C=CCC=CC(=C1)C2 T184578 [0,0,0,0,0,2|1,0,0]=3