0 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,0,0,0,0,0|2,1,0]=3 13 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,0,0,0,0,0|1,1,0]=3 51 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,0,0,0,0,0|1,0,2]=4 56 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,1,0,0,0,0|1,1,1]=4 68 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,1,0,0,0,0|2,1,0]=4 69 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,1,0,0,0,0|0,0,2]=3 70 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,1,0,0,0,0|1,0,2]=4 71 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [0,1,0,0,0,0|0,0,2]=3 78 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,1,0,0,0,0|1,1,1]=4 93 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.116 CSCC1=CC=C(C=C1)CSC S365734 [0,1,0,0,0,0|1,1,1]=4 100 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [0,1,0,0,0,0|0,0,2]=3 102 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,1,0,0,0,0|0,0,2]=3 103 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [0,1,0,0,0,0|2,0,1]=4 107 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,0,0,1,0,0|1,0,2]=4 109 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.44 COC1=NC=C2NN=CC2=C1 BLN00038 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|1,1,0]=4 118 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|1,1,0]=4 128 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|1,1,0]=4 129 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,1,0,0,0,0|0,0,0]=2 139 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|0,0,2]=4 146 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,1,0,0,0,0|0,0,2]=4 147 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,1,0,0,0,0|0,0,2]=4 149 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|0,0,1]=3 155 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|0,0,0]=2 156 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|0,0,1]=3 158 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|0,0,2]=4 173 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|0,0,2]=4 174 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.81 C=CCC1=CC=C(N=C1Cl)Br ADE000576 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,1,0,0,0,0|0,0,2]=4 183 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [1,1,0,0,0,0|1,1,0]=4 196 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.279 COC1=COC(=CC1=O)CCl L308021 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.279 COC1=COC(=CC1=O)CO S231703 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,2,0,0,0,0|0,0,2]=4 214 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,2,0,0,0,0|2,0,0]=4 215 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,2,0,0,0,0|0,0,1]=3 216 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,0|1,0,1]=4 217 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,2,0,0,0,0|1,0,1]=4 218 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,2,0,0,0,0|1,0,1]=4 219 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,2,0,0,0,0|1,0,1]=4 220 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,2,0,0,0,0|0,0,2]=4 221 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,2,0,0,0,0|0,0,2]=4 222 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,2,0,0,0,0|1,0,1]=4 223 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,2,0,0,0,0|1,0,1]=4 224 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN S542741 [0,2,0,0,0,0|2,0,0]=4 226 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,2,0,0,0,0|1,0,1]=4 227 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,2,0,0,0,0|1,0,1]=4 228 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,2,0,0,0,0|1,0,0]=3 230 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,2,0,0,0,0|1,0,0]=3 234 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)O CDS018466 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.142 CCOC1=CC=C(C=C1)NC(=N)N S862428 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N CDS021482 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N R610690 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N S205133 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.142 N#CCC1=CC=C(C=C1)OC(F)F PH010589 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O S888613 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,2,0,0,0,0|0,0,2]=4 243 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,2,0,0,0,0|1,0,1]=4 244 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,2,0,0,0,0|1,0,1]=4 245 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,2,0,0,0,0|1,0,1]=4 247 B13R1.39 CCC(C#N)C1=CC=C(C=C1)OC S879509 [0,2,0,0,0,0|0,0,2]=4 248 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)OC S563390 [0,2,0,0,0,0|0,0,2]=4 250 B13R1.187 COC1=CC=C(C=C1)C(C)(C)C#N S313394 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN OTV000615 [0,2,0,0,0,0|1,0,1]=4 252 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN BBO000391 [0,2,0,0,0,0|1,0,1]=4 253 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,2,0,0,0,0|0,0,1]=3 254 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,2,0,0,0,0|0,0,2]=4 255 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [0,2,0,0,0,0|0,0,2]=4 256 B13R1.452 COC1=CC=C(C=C1)/C(=C\C#N)/Cl JRD0333 [0,2,0,0,0,0|0,0,2]=4 257 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] S732354 [0,2,0,0,0,0|0,0,1]=3 258 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.452 COC1=CC=C(C=C1)C(N)CCO BBO000755 [0,2,0,0,0,0|0,0,2]=4 260 B13R1.452 COC1=CC=C(C=C1)[C@@H](C)N=C=O CDS019610 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,2,0,0,0,0|0,0,1]=3 263 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,2,0,0,0,0|0,0,1]=3 264 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,2,0,0,0,0|0,0,2]=4 265 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.74 C(=O)COC1=CC=C(C=C1)C(C)C S275700 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.75 COC1=CC(=C(C=C1)OCCCl)Br T248274 [0,2,0,0,0,0|1,0,1]=4 268 B13R1.77 C#CCOC1=CC=C(C=C1)CCC CDS024155 [0,2,0,0,0,0|0,0,2]=4 269 B13R1.371 C=CCNCC1=CC=C(C=C1)OC T286176 [0,2,0,0,0,0|0,0,0]=2 270 B13R1.371 COC1=CC=C(C=C1)CCCCBr PH007962 [0,2,0,0,0,0|0,0,2]=4 271 B13R1.371 COC1=CC=C(C=C1)CSCCN L163090 [0,2,0,0,0,0|0,0,2]=4 272 B13R1.371 COC1=CC=C(C=C1)OCCCBr PH010203 [0,2,0,0,0,0|0,0,2]=4 273 B13R1.371 COC1=CC=C(C=C1)OCCSC S697958 [0,2,0,0,0,0|0,0,2]=4 274 B13R1.577 C=CCOC1=CC(=C(C=C1)CN)Cl PH015887 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.577 C=CCOC1=CC=C(C(=C1)F)CN PH016069 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.577 C=CCSC1=NC(=C(C=N1)OC)O S215783 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.1249 COC1=CC=C(C(=C1)OC)CCO CDS016699 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.3945 COC1=CC(=C(C(=C1)Br)CC#N)Br S301396 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,2,0,0,0,0|1,0,1]=4 281 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,0,1,1,0,0|2,0,0]=4 282 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,0,0,1,0,0|2,0,0]=4 283 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,0,0,1,0,0|2,0,0]=4 285 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,1,0,0|2,0,0]=4 286 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,0,0,1,0,0|2,0,0]=4 287 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,1,0,0|1,0,1]=4 288 B13R2.2121 COC1=CC=C2SC(=NC2=C1)N CDS014859 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.2121 COC1=CN2C=C(N=C2C=C1)Br ADE001237 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [0,1,0,1,0,0|0,0,2]=4 291 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,1,0,0|0,0,1]=3 293 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [0,1,0,1,0,0|0,0,2]=4 294 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,1,0,1,0,0|1,0,1]=4 295 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,1,0,1,0,0|1,0,0]=3 296 B13R2.669 COC1=CC=C2NC=C(C2=N1)I ADE000926 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.669 COC1=CN=C2NC=C(C2=C1)I ADE000929 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.654 COC1=CC2=C(NC=C2)C(=N1)Cl PH017774 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,1,0,1,0,0|0,0,2]=4 300 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,1,0,1,0,0|1,0,1]=4 301 B13R2.84 COC1=CN=C2NC=CC2=C1Cl ADE000986 [0,1,0,1,0,0|2,0,0]=4