0 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,0,0,0|0,0,2]=2 1 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,0,0,0|0,0,2]=2 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|1,0,2]=3 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|1,0,0]=1 6 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,0,0,0|3,0,1]=4 13 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,0,0,0|1,0,2]=4 15 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,1,0,0,0,0|0,0,2]=3 16 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,1,0,0,0,0|0,0,2]=3 17 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [0,1,0,0,0,0|1,0,2]=4 18 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,0,0,0|0,0,2]=3 20 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,0,0,0|0,0,2]=3 21 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,1,0,0,0,0|1,0,2]=4 22 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,0,0,0|0,0,2]=3 25 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,0,0,0|0,0,2]=3 26 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,0,0,0|0,0,2]=3 27 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,1,0,0,0,0|0,0,2]=3 29 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,1,0,0,0,0|1,0,2]=4 30 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,0,0,0|1,0,1]=3 34 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,0,0,0|0,0,2]=3 35 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,0,0,0|0,0,2]=3 37 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,1,0,0,0,0|1,0,2]=4 38 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,1,0,0,0,0|1,0,2]=4 40 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,0,0,0|1,0,1]=3 41 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,0,0,0|2,0,1]=4 42 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,0,0,0|2,0,0]=3 47 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,1,0,0,0,0|1,0,2]=4 50 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,0,0,0|2,0,1]=4 51 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,0,0,0|1,0,0]=2 54 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,1,0,0,0,0|1,0,2]=4 55 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,1,0,0,0,0|1,0,2]=4 56 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,1,0,0,0,0|2,0,1]=4 57 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,0,0,0|2,0,0]=3 58 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,0,0,0|2,0,0]=3 60 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,0,0,0|0,0,2]=3 61 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,1,0,0,0,0|1,0,2]=4 62 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,0,0,0|2,0,0]=3 64 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,1,0,0,0,0|1,0,2]=4 65 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,0,0,0|0,0,2]=3 67 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,1,0,0,0,0|1,0,2]=4 68 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,0,0,0|1,0,1]=3 69 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,0,0,0|0,0,2]=3 70 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,0,0,0|2,0,0]=3 71 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,0,0,0|2,0,0]=3 72 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,0,0,0|2,0,1]=4 74 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,0,0,0|1,0,1]=3 77 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,0,0,0|1,0,2]=4 79 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,0,0,0|1,0,0]=2 80 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,1,0,0,0,0|2,0,1]=4 82 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,0,0,0|0,0,2]=3 83 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,0,0,0|0,0,2]=3 84 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,0,1,0,0,0|2,0,0]=3 87 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,0,1,0,0,0|3,0,0]=4 88 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,0,1,0,0,0|3,0,0]=4 89 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,0,1,0,0,0|3,0,0]=4 90 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,0,1,0,0,0|3,0,0]=4 91 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,0,1,0,0,0|3,0,0]=4 92 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,0,1,0,0,0|1,0,1]=3 93 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,0,1,0,0,0|3,0,0]=4 94 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,0,1,0,0,0|0,0,2]=3 95 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,0,1,0,0,0|1,0,2]=4 96 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,0,1,0,0,0|2,0,1]=4 97 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,0,1,0,0,0|2,0,1]=4 98 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,0,1,0,0,0|1,0,1]=3 99 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,0,1,0,0,0|2,0,1]=4 100 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,0,1,0,0,0|2,0,1]=4 101 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,0,1,0,0,0|2,0,1]=4 102 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,0,1,0,0,0|3,0,0]=4 103 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,0,1,0,0,0|3,0,0]=4 104 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,0,1,0,0,0|1,0,2]=4 105 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,0,1,0,0,0|2,0,0]=3 106 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,0,1,0,0,0|2,0,1]=4 108 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,0,1,0,0,0|3,0,0]=4 109 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,1,0,0,0|2,0,0]=3 110 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,1,0,0,0|2,0,0]=3 111 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,1,0,0,0|3,0,0]=4 112 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,1,0,0,0|2,0,0]=3 113 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,1,0,0,0|2,0,0]=3 114 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,1,0,0,0|2,0,0]=3 115 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,1,0,0,0|1,0,2]=4 116 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,1,0,0,0|1,0,2]=4 117 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,1,0,0,0|1,0,2]=4 118 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,1,0,0,0|1,0,0]=2 119 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,1,0,0,0|1,0,2]=4 120 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,1,0,0,0|1,1,1]=4 121 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,0,1,0,0,0|1,0,0]=2 122 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,0,1,0,0,0|1,0,1]=3 123 B10R1.20 COC1=CC=CC=C1NN S264407 [0,0,1,0,0,0|2,0,1]=4 124 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,0,1,0,0,0|2,0,1]=4 125 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,0,1,0,0,0|2,0,1]=4 126 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,0,1,0,0,0|3,0,0]=4 127 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,0,1,0|1,0,1]=3 128 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,0,1,0|1,0,1]=3 129 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,0,1,0|1,0,1]=3 130 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,0,1,0|1,0,0]=2 131 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,0,1,0|2,0,0]=3 132 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,0,1,0|1,0,0]=2 133 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,0,1,0|2,0,0]=3 134 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [0,0,0,0,1,0|3,0,0]=4 135 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,0,1,0|2,0,0]=3 136 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,0,0,0,1,0|2,0,1]=4 137 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,0,1,0|2,0,1]=4 138 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [0,0,0,0,1,0|2,0,1]=4 139 B10R2.7 C1=CN2CCNCC2=C1 T321451 [0,0,0,0,1,0|1,0,2]=4 140 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,0,1,0|1,0,0]=2 141 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,0,1,0|2,0,0]=3 142 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [0,0,0,0,1,0|3,0,0]=4 143 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [0,0,0,0,1,0|3,0,0]=4 144 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,0,1,0|1,0,1]=3 145 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [0,0,0,0,0,1|1,0,0]=2 146 B12R2.41 C1=CC=C2NCCNCC2=C1 PH010311 [0,0,0,0,0,1|0,0,2]=3 147 B12R2.41 C1=CNC2=C(C=CC=C2)[NH+]=C1 L162892 [0,0,0,0,0,1|2,0,0]=3 148 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,1,0,0,0|1,0,1]=4 149 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,1,0,0,0|2,0,0]=4 150 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,1,0,0,0|1,0,0]=3 151 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,1,0,0,0|1,0,0]=3 152 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,1,0,0,0|2,0,0]=4 153 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,1,0,0,0|2,0,0]=4 154 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,1,0,0,0|1,0,1]=4 155 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,1,0,0,0|2,0,0]=4 156 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,1,0,0,0|1,0,0]=3 157 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,1,0,0,0|2,0,0]=4 158 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,1,0,0,0|1,0,1]=4 159 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,0,1,0,0,0|1,0,1]=4 160 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,1,0,0,0|2,0,0]=4 161 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,1,0,0,0|1,0,1]=4 162 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,1,0,0,0|1,0,1]=4 163 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,1,0,0,0|2,0,0]=4 164 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,1,0,0,0|2,0,0]=4 165 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,1,0,0,0|2,0,0]=4 166 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,1,0,0,0|1,0,0]=3 167 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,1,0,0,0|2,0,0]=4 171 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,1,1,0,0,0|1,0,1]=4 172 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,1,0,0,0|1,0,1]=4 173 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,1,0,0,0|0,0,2]=4 176 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,1,0,0,0|0,0,2]=4 177 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,1,0,0,0|0,0,2]=4 178 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,1,1,0,0,0|1,0,1]=4 179 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,1,1,0,0,0|1,0,1]=4 180 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,1,1,0,0,0|0,0,2]=4 183 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,1,1,0,0,0|2,0,0]=4 186 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,1,1,0,0,0|2,0,0]=4 187 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,1,1,0,0,0|1,0,1]=4 188 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,1,0,0,0|2,0,0]=4 189 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,1,0,0,0|1,0,1]=4 190 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,1,0,0,0|0,0,2]=4 191 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,1,0,0,0|1,0,0]=3 192 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,1,0,0,0|1,0,1]=4 193 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,1,0,0,0|1,0,1]=4 194 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,1,0,0,0|1,0,1]=4 195 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,1,0,0,0|1,0,1]=4 197 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,1,0,0,0|1,0,1]=4 199 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,1,0,0,0|2,0,0]=4 203 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,1,1,0,0,0|2,0,0]=4 205 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,1,1,0,0,0|1,0,1]=4 207 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,1,1,0,0,0|1,0,1]=4 208 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,1,1,0,0,0|1,0,1]=4 209 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,1,0,0,0|1,0,0]=3 210 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,1,0,0,0|1,0,0]=3 211 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,1,1,0,0,0|2,0,0]=4 215 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,1,1,0,0,0|2,0,0]=4 218 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,1,0,0,0|0,0,2]=4 224 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [0,1,1,0,0,0|2,0,0]=4 227 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,1,0,0,0|1,0,0]=3 228 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,1,0,0,0|1,0,1]=4 229 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,1,0,0,0|1,0,0]=3 232 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,1,0,0,0|0,0,2]=4 233 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,1,0,0,0|0,0,2]=4 234 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,1,0,0,0|0,0,2]=4 235 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,1,0,0,0|1,0,1]=4 236 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,1,1,0,0,0|2,0,0]=4 238 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,1,0,0,0|1,0,1]=4 239 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,1,0,0,0|1,0,1]=4 240 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,1,0,0,0|0,0,0]=2 241 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,1,0,0,0|0,0,0]=2 242 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,1,0,0,0|1,0,0]=3 243 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,1,0,0,0|1,0,0]=3 244 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,1,0,0,0|1,0,1]=4 245 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,1,1,0,0,0|1,0,0]=3 246 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,1,0,0,0|0,0,2]=4 247 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,1,0,0,0|0,0,2]=4 249 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,1,1,0,0,0|1,0,1]=4 250 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,1,0,0,0|2,0,0]=4 251 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,1,0,0,0|2,0,0]=4 254 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,1,0,0,0|0,0,2]=4 255 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,1,0,0,0|1,0,1]=4 256 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,1,0,0,0|1,0,0]=3 257 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,1,0,0,0|1,0,0]=3 258 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,1,0,0,0|1,0,1]=4 260 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,1,0,0,0|2,0,0]=4 261 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,1,0,0,0|2,0,0]=4 262 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,1,0,0,0|2,0,0]=4 263 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,1,0,0,0|2,0,0]=4 264 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,1,1,0,0,0|2,0,0]=4 266 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,1,0,0,0|2,0,0]=4 268 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,1,1,0,0,0|1,0,1]=4 271 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,1,0,0,0|0,0,2]=4 273 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,1,0,0,0|0,0,2]=4 274 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [0,1,1,0,0,0|1,0,0]=3 275 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,1,1,0,0,0|1,0,0]=3 276 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,1,1,0,0,0|1,0,0]=3 277 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,1,0,0,0|0,0,2]=4 278 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,1,0,0,0|1,0,0]=3 279 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,1,0,0,0|1,0,0]=3 280 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,1,0,0,0|2,0,0]=4 281 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,1,1,0,0,0|2,0,0]=4 282 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,1,1,0,0,0|2,0,0]=4 283 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,1,1,0,0,0|2,0,0]=4 284 B11R1.53 C(=O)C1=CC=CC=C1C(F)F MNO000206 [0,1,1,0,0,0|2,0,0]=4 285 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,1,1,0,0,0|2,0,0]=4 286 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,1,0,0,0|1,0,1]=4 287 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,1,1,0,0,0|2,0,0]=4 288 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,1,0,0,0|1,0,1]=4 289 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,1,0,0,0|1,0,1]=4 290 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,1,0,0,0|2,0,0]=4 291 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,0,1,0|1,0,0]=3 292 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,1,0,0,1,0|2,0,0]=4 293 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,1,0,0,1,0|2,0,0]=4 294 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,1,0,0,1,0|2,0,0]=4 295 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,1,0,0,1,0|2,0,0]=4 296 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,1,0,0,1,0|1,0,1]=4 297 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,0,1,0|1,0,0]=3 298 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,0,1,0|1,0,1]=4 299 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,1,0,0,1,0|2,0,0]=4 300 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,0,1,0|1,0,1]=4 301 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,1,0,0,1,0|2,0,0]=4 302 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,1,0,0,1,0|2,0,0]=4 303 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,1,0,0,1,0|2,0,0]=4 304 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,0,1,0|1,0,1]=4 305 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,0,1,0|1,0,1]=4 306 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,0,1,0|1,0,1]=4 307 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,1,0,0,1,0|2,0,0]=4 308 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,0,1,0|1,0,0]=3 309 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,1,0,0,1,0|2,0,0]=4 310 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,1,0,0,1,0|2,0,0]=4 311 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,0,1,0|1,0,1]=4 312 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,0,1,0|1,0,1]=4 313 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,0,1,0|0,0,0]=2 314 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,0,1,0|2,0,0]=4 315 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,0,1,0|0,0,0]=2 316 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,0,1,0|1,0,0]=3 317 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,1,0,0,1,0|2,0,0]=4 318 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,0,1,0|1,0,1]=4 319 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,0,1,0|0,0,1]=3 320 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,1,0,0,1,0|2,0,0]=4 321 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,0,1,0|1,0,0]=3 322 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,1,0,0,1,0|2,0,0]=4 323 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,0,1,0|1,0,0]=3 324 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,0,1,0|1,0,0]=3 325 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,0,1,0|2,0,0]=4 326 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,0,1,0|0,0,2]=4 327 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,0,1,0|1,0,1]=4 328 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,1,0,0,1,0|2,0,0]=4 329 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,0,1,0|1,0,1]=4 330 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [0,1,0,0,1,0|2,0,0]=4 331 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [0,1,0,0,1,0|2,0,0]=4 332 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,1,0,0,1,0|1,0,1]=4 333 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,0,1,0|0,0,1]=3 334 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,1,0,0,1,0|1,0,0]=3 335 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,1,0,0,1,0|1,0,0]=3 336 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,0,1,0|1,0,1]=4 337 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,0,1,0|1,0,1]=4 338 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,0,1,0|1,0,0]=3 339 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,1,0,0,1,0|1,0,0]=3 340 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,1,0,0,1,0|2,0,0]=4 341 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [0,1,0,0,1,0|2,0,0]=4 342 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,1,0,0,1,0|2,0,0]=4 343 B11R2.36 BrC1=NC2=C(C=C1)NN=C2 BLN00049 [0,1,0,0,1,0|2,0,0]=4 344 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,1,0,0,1,0|1,0,0]=3 345 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,1,0,0,1,0|1,0,0]=3 346 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,0,1,0|0,0,2]=4 347 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,1,0,0,1,0|2,0,0]=4 348 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,1,0,0,1,0|2,0,0]=4 349 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,1,0,0,1,0|1,0,0]=3 350 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,0,1,0|1,0,0]=3 351 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,0,1,0|1,0,0]=3 352 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,1,0,0,1,0|2,0,0]=4 353 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,0,1,0|0,0,2]=4 354 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,1,0,0,1,0|1,0,0]=3 355 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [0,1,0,0,1,0|2,0,0]=4 356 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,0,1,0|1,0,0]=3 357 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,1,0,0,1,0|1,0,0]=3 358 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,0,1,0|1,0,0]=3 359 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [0,1,0,0,1,0|2,0,0]=4 360 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,1,0,0,1,0|1,0,1]=4 361 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,1,0,0,1,0|1,0,0]=3 362 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,0,1,0|2,0,0]=4 363 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,1,0,0,1,0|1,0,0]=3 364 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,1,0,0,1,0|2,0,0]=4 365 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,0,1,0|0,0,2]=4 366 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,0,1,0|1,0,1]=4 367 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,0,1,0|1,0,0]=3 368 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,0,1,0|0,0,2]=4 369 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,0,1,0|1,0,0]=3 370 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,1,0,0,1,0|1,0,0]=3 371 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,0,1,0|0,0,2]=4 372 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,0,1,0|1,0,1]=4 373 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,0,1,0|1,0,1]=4 374 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,1,0,0,1,0|1,0,0]=3 375 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,1,0,0,1,0|2,0,0]=4 376 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,1,0,0,1,0|1,0,0]=3 377 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [0,1,0,0,1,0|2,0,0]=4 378 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [0,1,0,0,1,0|2,0,0]=4 379 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,0,1,0|0,0,2]=4 380 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,0,1,0|1,0,0]=3 381 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,0,1,0|2,0,0]=4 382 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,0,1,0|1,0,1]=4 383 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,0,1,0|0,0,2]=4 384 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,1,0,0,1,0|1,0,0]=3 385 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,1,0,0,1,0|1,0,0]=3 386 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,0,1,0|1,0,0]=3 387 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,1,0,0,1,0|1,0,0]=3 388 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,0,1,0|2,0,0]=4 389 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,1,0,0,1,0|1,0,0]=3 390 B11R2.106 BrC1=C2NN=CC2=CN=C1 BLN00050 [0,1,0,0,1,0|2,0,0]=4 391 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,1,0,0,1,0|2,0,0]=4 392 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,0,1,0|1,0,0]=3 393 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,1,0,0,1,0|1,0,0]=3 394 B11R2.106 BrC1=CN=CC2=C1C=NN2 BLN00051 [0,1,0,0,1,0|2,0,0]=4 395 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,0,1,0|1,0,0]=3 396 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,0,1,0|1,0,0]=3 397 B11R2.106 CC1=CN=CC2=C1NN=C2 BLN00046 [0,1,0,0,1,0|2,0,0]=4 398 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,1,0,0,1,0|1,0,0]=3 399 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,0,1,0|1,0,0]=3 400 B11R2.106 ClC1=CN=CC2=C1NN=C2 BLN00071 [0,1,0,0,1,0|2,0,0]=4 401 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,1,0,0,1,0|1,0,0]=3 402 B11R2.106 ClC1=NC=CC2=C1C=NN2 BLN00015 [0,1,0,0,1,0|2,0,0]=4 403 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,1,0,0,1,0|1,0,0]=3 404 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,1,0,0,1,0|1,0,0]=3 405 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,1,0,0,1,0|2,0,0]=4 406 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,1,0,0,1,0|1,0,1]=4 407 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,1,0,0,1,0|1,0,1]=4 408 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,1,0,0,1,0|1,0,1]=4 409 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,1,0,0,1,0|1,0,0]=3 410 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,0,1,0|1,0,0]=3 411 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,0,1,0|1,0,1]=4 412 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,0,1,0|0,0,0]=2 413 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,1,0,0,1,0|2,0,0]=4 414 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,1,0,0,1,0|1,0,0]=3 415 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [0,1,0,0,0,1|0,0,2]=4 416 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,1,0,0,0,1|1,0,0]=3 417 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,1,0,0,0,1|1,0,1]=4 418 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,1,0,0,0,1|1,0,1]=4 419 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,1,0,0,0,1|0,0,1]=3 420 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,1,0,0,0,1|1,0,1]=4 421 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,1,0,0,0,1|1,0,1]=4 422 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,1,0,0,0,1|2,0,0]=4 423 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 CBR02460 [0,1,0,0,0,1|0,0,2]=4 424 B13R2.3729 FC1=CC2=C(C=C1)CNCCN2 CDS020985 [0,1,0,0,0,1|0,0,2]=4 425 B13R2.3729 FC1=CC2=C(C=C1)OCCNC2 CDS024211 [0,1,0,0,0,1|0,0,2]=4 426 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [0,1,0,0,0,1|1,0,1]=4 427 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [0,1,0,0,0,1|1,0,1]=4 428 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [0,1,0,0,0,1|2,0,0]=4 429 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,2,0,0,0,0|1,0,1]=4 430 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,2,0,0,0,0|2,0,0]=4 431 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,2,0,0,0,0|2,0,0]=4 432 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,2,0,0,0,0|2,0,0]=4 433 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,2,0,0,0,0|2,0,0]=4 434 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,2,0,0,0,0|2,0,0]=4 435 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,2,0,0,0,0|1,0,1]=4 436 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,2,0,0,0,0|2,0,0]=4 437 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,2,0,0,0,0|2,0,0]=4 438 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,2,0,0,0,0|2,0,0]=4 439 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,2,0,0,0,0|1,0,1]=4 440 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,2,0,0,0,0|1,0,1]=4 441 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,2,0,0,0,0|2,0,0]=4 442 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,2,0,0,0,0|2,0,0]=4 443 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,2,0,0,0,0|2,0,0]=4 444 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,2,0,0,0,0|2,0,0]=4 445 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,2,0,0,0,0|1,0,1]=4 446 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,2,0,0,0,0|2,0,0]=4 447 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,2,0,0,0,0|1,0,0]=3 448 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,2,0,0,0,0|0,0,2]=4 449 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [0,2,0,0,0,0|0,0,2]=4 450 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,2,0,0,0,0|2,0,0]=4 451 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,2,0,0,0,0|0,0,2]=4 452 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,2,0,0,0,0|2,0,0]=4 453 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [0,2,0,0,0,0|0,0,2]=4 454 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,2,0,0,0,0|2,0,0]=4 455 B13R2.57 N#CC1=CC2=C(C=C1)CCNC2 CDS007809 [0,2,0,0,0,0|0,0,2]=4 456 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,2,0,0,0,0|2,0,0]=4 457 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,2,0,0,0,0|2,0,0]=4 458 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,2,0,0,0,0|2,0,0]=4 459 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,2,0,0,0,0|0,0,2]=4 460 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,2,0,0,0,0|2,0,0]=4 461 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,2,0,0,0,0|0,0,2]=4 462 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,2,0,0,0,0|1,0,1]=4 463 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,2,0,0,0,0|2,0,0]=4 464 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,2,0,0,0,0|2,0,0]=4 465 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,2,0,0,0,0|2,0,0]=4 466 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,2,0,0,0,0|2,0,0]=4 467 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,2,0,0,0,0|2,0,0]=4 468 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,2,0,0,0,0|0,0,2]=4 469 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,2,0,0,0,0|2,0,0]=4 470 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,2,0,0,0,0|2,0,0]=4 471 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,2,0,0,0,0|2,0,0]=4 472 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,2,0,0,0,0|2,0,0]=4 473 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,2,0,0,0,0|2,0,0]=4 474 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O S489034 [0,2,0,0,0,0|1,0,1]=4 475 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,2,0,0,0,0|2,0,0]=4 476 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,2,0,0,0,0|2,0,0]=4 477 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,2,0,0,0,0|0,0,2]=4 478 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,2,0,0,0,0|2,0,0]=4 479 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,2,0,0,0,0|2,0,0]=4 480 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,2,0,0,0,0|2,0,0]=4 481 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,2,0,0,0,0|2,0,0]=4 482 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,2,0,0,0,0|2,0,0]=4 483 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,2,0,0,0,0|2,0,0]=4 484 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,2,0,0,0,0|2,0,0]=4 485 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,2,0,0,0,0|2,0,0]=4 486 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,2,0,0,0,0|2,0,0]=4 487 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O CDS024424 [0,2,0,0,0,0|2,0,0]=4 488 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,2,0,0,0,0|0,0,1]=3 489 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 CDS006837 [0,2,0,0,0,0|1,0,1]=4 490 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,2,0,0,0,0|2,0,0]=4 491 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,2,0,0,0,0|2,0,0]=4 492 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,2,0,0,0,0|2,0,0]=4 493 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,2,0,0,0,0|2,0,0]=4 494 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,2,0,0,0,0|1,0,1]=4 495 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,2,0,0,0,0|1,0,1]=4 496 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [0,2,0,0,0,0|1,0,1]=4 497 B13R2.162 O=C1CCCC2=CC=C(C=C12)Cl JRD0695 [0,2,0,0,0,0|1,0,1]=4 498 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,2,0,0,0,0|1,0,1]=4 499 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,2,0,0,0,0|2,0,0]=4 500 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,2,0,0,0,0|2,0,0]=4 501 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,2,0,0,0,0|2,0,0]=4 502 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,2,0,0,0,0|0,0,1]=3 503 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,2,0,0,0,0|2,0,0]=4 504 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,2,0,0,0,0|2,0,0]=4 505 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,2,0,0,0,0|2,0,0]=4 506 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,2,0,0,0,0|2,0,0]=4 507 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,2,0,0,0,0|0,0,2]=4 508 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,2,0,0,0,0|2,0,0]=4 509 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,2,0,0,0,0|1,0,1]=4 510 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,2,0,0,0,0|2,0,0]=4 511 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,2,0,0,0,0|0,0,2]=4 512 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,2,0,0,0,0|1,0,1]=4 513 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,2,0,0,0,0|0,0,2]=4 514 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,2,0,0,0,0|2,0,0]=4 515 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,2,0,0,0,0|1,0,0]=3 516 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,2,0,0,0,0|2,0,0]=4 517 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,2,0,0,0,0|2,0,0]=4 518 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,2,0,0,0,0|2,0,0]=4 519 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,2,0,0,0,0|1,0,1]=4 520 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,2,0,0,0,0|1,0,1]=4 521 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,2,0,0,0,0|2,0,0]=4 522 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,2,0,0,0,0|2,0,0]=4 523 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,2,0,0,0,0|2,0,0]=4 524 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,2,0,0,0,0|2,0,0]=4 525 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,2,0,0,0,0|1,0,1]=4 526 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,2,0,0,0,0|1,0,1]=4 527 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,2,0,0,0,0|2,0,0]=4 528 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,2,0,0,0,0|2,0,0]=4 529 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,2,0,0,0,0|2,0,0]=4 530 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,2,0,0,0,0|2,0,0]=4 531 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,2,0,0,0,0|2,0,0]=4 532 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,2,0,0,0,0|2,0,0]=4 533 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,2,0,0,0,0|2,0,0]=4 534 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,2,0,0,0,0|2,0,0]=4 535 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,2,0,0,0,0|2,0,0]=4 536 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,2,0,0,0,0|2,0,0]=4 537 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,2,0,0,0,0|2,0,0]=4 538 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,2,0,0,0,0|2,0,0]=4 539 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 S58085 [0,2,0,0,0,0|1,0,1]=4 540 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,2,0,0,0,0|1,0,1]=4 541 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,2,0,0,0,0|2,0,0]=4 542 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,2,0,0,0,0|2,0,0]=4 543 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,2,0,0,0,0|2,0,0]=4 544 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,2,0,0,0,0|2,0,0]=4 545 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,2,0,0,0,0|2,0,0]=4 546 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,2,0,0,0,0|2,0,0]=4 547 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,2,0,0,0,0|2,0,0]=4 548 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,2,0,0,0,0|2,0,0]=4 549 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,2,0,0,0,0|2,0,0]=4 550 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,2,0,0,0,0|1,0,1]=4 551 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,2,0,0,0,0|1,0,1]=4 552 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,2,0,0,0,0|2,0,0]=4 553 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,2,0,0,0,0|0,0,1]=3 554 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,2,0,0,0,0|2,0,0]=4 555 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,2,0,0,0,0|2,0,0]=4 556 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,2,0,0,0,0|2,0,0]=4 557 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,2,0,0,0,0|2,0,0]=4 558 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)Br T263710 [0,2,0,0,0,0|1,0,1]=4 559 B13R2.5179 O=C1CCCC2=CC(=CC=C12)Cl JRD0960 [0,2,0,0,0,0|1,0,1]=4 560 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,2,0,0,0,0|2,0,0]=4 561 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,2,0,0,0,0|2,0,0]=4 562 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [0,2,0,0,0,0|2,0,0]=4 563 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [0,2,0,0,0,0|1,0,1]=4 564 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,2,0,0,0,0|2,0,0]=4 565 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [0,2,0,0,0,0|2,0,0]=4 566 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [0,2,0,0,0,0|2,0,0]=4 567 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [0,2,0,0,0,0|2,0,0]=4 568 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [0,2,0,0,0,0|2,0,0]=4 569 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [0,2,0,0,0,0|2,0,0]=4 570 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [0,2,0,0,0,0|2,0,0]=4 571 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [0,2,0,0,0,0|2,0,0]=4 572 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [0,2,0,0,0,0|1,0,1]=4 573 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [0,2,0,0,0,0|1,0,1]=4 574 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [0,2,0,0,0,0|2,0,0]=4 575 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [0,2,0,0,0,0|2,0,0]=4 576 B13R2.342 O=C1CCCC2=C(C=CC=C12)Br PH014623 [0,2,0,0,0,0|1,0,1]=4 577 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [0,2,0,0,0,0|2,0,0]=4 578 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [0,2,0,0,0,0|2,0,0]=4 579 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [0,2,0,0,0,0|2,0,0]=4 580 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [0,2,0,0,0,0|2,0,0]=4 581 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [0,2,0,0,0,0|2,0,0]=4 582 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,2,0,0,0,0|1,0,1]=4 583 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [0,2,0,0,0,0|1,0,1]=4 584 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [0,2,0,0,0,0|2,0,0]=4 585 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,2,0,0,0,0|2,0,0]=4 586 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [0,2,0,0,0,0|1,0,1]=4 587 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [0,2,0,0,0,0|2,0,0]=4 588 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,2,0,0,0,0|0,0,1]=3 589 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [0,2,0,0,0,0|2,0,0]=4 590 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [0,2,0,0,0,0|1,0,1]=4 591 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [0,2,0,0,0,0|1,0,1]=4 592 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [0,2,0,0,0,0|2,0,0]=4 593 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [0,2,0,0,0,0|2,0,0]=4 594 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [0,2,0,0,0,0|2,0,0]=4 595 B13R2.1613 BrCC1=CC=CC2=C1N=CC=C2 PH010429 [0,2,0,0,0,0|2,0,0]=4 596 B13R2.1613 CCC1NCCC2=C1C=CC=C2 PH016245 [0,2,0,0,0,0|0,0,2]=4 597 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S633127 [0,2,0,0,0,0|2,0,0]=4 598 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S697117 [0,2,0,0,0,0|2,0,0]=4 599 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S920983 [0,2,0,0,0,0|2,0,0]=4 600 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,2,0,0,0,0|0,0,2]=4 601 B13R2.1613 N#CC1=CC=CC2=C1CNCC2 CDS015935 [0,2,0,0,0,0|0,0,2]=4 602 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [0,2,0,0,0,0|2,0,0]=4 603 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,2,0,0,0,0|2,0,0]=4 604 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,2,0,0,0,0|2,0,0]=4 605 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 CBR02445 [0,2,0,0,0,0|2,0,0]=4 606 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [0,2,0,0,0,0|1,0,1]=4 607 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,2,0,0,0,0|2,0,0]=4 608 B13R2.1613 O/N=C/1\CCCC2=C1C=CC=C2 S702498 [0,2,0,0,0,0|1,0,1]=4 609 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,2,0,0,0,0|2,0,0]=4 610 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [0,2,0,0,0,0|2,0,0]=4 611 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [0,2,0,0,0,0|2,0,0]=4 612 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [0,2,0,0,0,0|2,0,0]=4 613 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [0,2,0,0,0,0|0,0,2]=4 614 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [0,2,0,0,0,0|2,0,0]=4 615 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [0,2,0,0,0,0|1,0,1]=4 616 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [0,2,0,0,0,0|1,0,1]=4 617 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [0,2,0,0,0,0|1,0,1]=4 618 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,1,1,0,0|0,0,2]=4 619 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 S792225 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.33 CC1=C(SC=C1)/C=N/N R128422 [0,0,1,0,1,0|2,0,0]=4 621 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,1,0,1,0|1,0,0]=3 622 B9R1.103 C1=CCC=CCC=CC1 T199680 [0,0,1,0,1,0|0,0,2]=4 623 B13R2.67 C1=CC2=C(C=C1)CC=CCC=C2 T185787 [0,0,0,0,0,2|1,0,0]=3 624 B13R2.67 C1=CC=CC2=C(C=C1)C=CC=C2 T185752 [0,0,0,0,0,2|1,0,1]=4 625 B13R2.2294 C1=CC=C2C=CCC=CC(=C1)C2 T184578 [0,0,0,0,0,2|1,0,1]=4