0 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,0,0,0,0,0|2,1,0]=4 59 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.385 CC1=CC(=CC=C1Cl)OCCN CDS018207 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.385 CC1=CC(=CC=C1Cl)OCCO S538655 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.385 CC1=CC=C(C=C1C)OCCBr PH011037 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.385 CCCOC1=CC=C(C(=C1)C)N CDS012022 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl PH010574 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,0,0,1,0,0|0,0,2]=3 103 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.2 CCC1=NC(=CC=C1)C S580031 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,0,0,0,0,0|0,0,0]=2 136 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,1,0,0,0,0|0,0,1]=3 171 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,1,0,0,0,0|0,0,2]=4 172 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,1,0,0,0,0|0,0,2]=4 173 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,1,0,0,0,0|0,0,2]=4 174 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [1,1,0,0,0,0|1,1,0]=4 217 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.13 CC1=CC=CN(C1=O)CCN PH017777 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.34 CC1=CC(=CC(=C1)CNN)C PH019430 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.34 CC1=CC(=NC(=N1)CCN)O CBR01353 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.34 CC1=CC(=NC(=N1)CCN)O PH019253 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.34 NCCC1=NC(=CC(=N1)N)O CBR01569 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.34 NCCC1=NC(=CC(=N1)N)O PH019254 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.34 NCCC1=NC(=CC(=N1)O)O PH019252 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N CDS021998 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.14 NCC1=CC(=C(C(=C1)F)F)F CDS002863 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|0,0,1]=3 261 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,1,0,0,0,0|0,0,1]=3 269 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.278 NCC1=C(C(=C(C=C1)F)F)F CDS002894 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.280 N#CC1=CC(=CC=C1F)CN PH018726 [1,1,0,0,0,0|2,0,0]=4 289 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O ASX00136 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.575 CCCOC1=CC(=C(C=C1)O)C=O ASX00137 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.385 CCOC1=CC=C(C(=C1)O)C(=O)O S438081 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.272 CC(C)(CN)C1=CC=C(C(=C1)Cl)Cl CDS023678 [0,2,0,0,0,0|2,0,0]=4 299 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [0,2,0,0,0,0|2,0,0]=4 300 B13R1.466 CNCC(O)C1=CC(=C(C=C1)F)F PH015262 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,2,0,0,0,0|0,0,0]=2 302 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|1,0,0]=3 303 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|1,0,0]=3 304 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|2,0,0]=4 305 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [1,0,0,1,0,0|0,0,2]=4 308 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,1,0,1,0,0|1,0,0]=3 309 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,1,0,1,0,0|0,0,0]=2 311 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,1,0,1,0,0|1,0,1]=4 312 B13R2.369 CC1=CC2=C(C=C1C)NCCN2 OTV000463 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.369 NC1=C(C=C2CCCCC2=C1)O R161217 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.5393 CC1=C2CCCC2=C(C(=C1)Br)O PH016698 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.33 CN1C=CC=C1CCN CBR01483 [1,0,0,0,1,0|2,0,0]=4