0 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,0,0,0,0,0|2,2,0]=4 8 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,0,0,0,0,0|2,1,1]=4 19 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,0,0,0,0,0|2,1,1]=4 38 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,0,0,0,0,0|3,1,0]=4 41 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,0,0,0,0,0|2,2,0]=4 44 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,0,0,0,0,0|2,1,1]=4 46 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,0,0,0,0,0|2,1,1]=4 50 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,0,0,0,0,0|2,1,1]=4 51 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,0,0,0,0,0|2,1,1]=4 61 B9R1.69 NC1=NN=C(C=C1Br)Cl CDS020016 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,0,0,0,0,0|1,1,1]=3 64 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,0,0,0,0,0|1,1,2]=4 65 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,0,0,0,0,0|1,1,1]=3 68 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,0,0,0,0,0|1,1,1]=3 69 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,0,0,0,0,0|1,1,1]=3 70 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,0,0,0,0,0|1,0,1]=2 71 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,0,0,0,0,0|1,1,1]=3 72 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,0,0,0,0,0|1,1,1]=3 73 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,0,0,0,0,0|0,0,2]=2 74 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,0,0,0,0,0|1,1,2]=4 76 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,0,0,0,0,0|1,0,2]=3 77 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,0,0,0,0,0|1,1,2]=4 78 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|2,1,0]=4 87 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|1,0,2]=4 89 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|0,0,0]=1 91 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,0,0,0,0,0|1,0,2]=4 92 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,0,0,0,0,0|1,0,2]=4 93 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,0,0,0,0,0|1,2,0]=4 94 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,0,0,0,0,0|1,0,1]=3 102 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,0,0,0,0,0|1,1,1]=4 103 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [1,0,0,0,0,0|1,0,2]=4 108 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,0,0,0,0,0|0,1,1]=3 110 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,0,0,0,0,0|0,1,1]=3 111 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|2,1,0]=4 115 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|1,0,2]=4 119 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|1,0,2]=4 125 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,1,0,0,0,0|2,1,0]=4 130 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,1,0,0,0,0|1,1,0]=3 133 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,1,0,0,0,0|2,1,0]=4 136 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|2,1,0]=4 139 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|1,1,1]=4 145 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|1,1,1]=4 146 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,1,0,0,0,0|0,0,2]=3 149 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,1,0,0,0,0|2,1,0]=4 150 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|2,1,0]=4 154 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,1,0,0,0,0|2,1,0]=4 155 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,1,0,0,0,0|1,1,1]=4 169 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,1,0,0,0,0|1,1,1]=4 170 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,1,0,0,0,0|1,0,1]=3 172 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,1,0,0,0,0|1,1,1]=4 173 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,1,0,0,0,0|1,1,1]=4 174 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,1,0,0,0,0|2,1,0]=4 176 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,1,0,0,0,0|1,1,1]=4 180 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,0,0,0,0|1,0,1]=3 183 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,1,0,0,0,0|1,1,1]=4 184 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,1,0,0,0,0|1,1,1]=4 185 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.118 ClC1=CC(=C(N=C1Cl)Cl)Cl S812269 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,1,0,0,0,0|2,1,0]=4 202 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,1,0,0,0,0|2,1,0]=4 207 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,1,0,0,0,0|1,1,1]=4 208 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,1,0,0,0,0|1,1,1]=4 210 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.119 NC1=NC=C(C(=C1Cl)Cl)Cl PHB00294 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.9 CCC(=O)NC=C(Cl)Cl S196908 [0,0,1,0,0,0|2,0,1]=4 223 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|2,0,0]=3 224 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,0,1,0|2,0,1]=4 225 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|2,0,1]=4 226 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|3,0,0]=4 227 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,0,1,0,0,0|2,0,0]=4 228 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,1]=4 230 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|0,0,0]=2 231 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.3 O=C1CSC=CN1 OTV000696 [2,0,0,0,0,0|1,0,1]=4 234 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 236 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 237 B9R0.7 C=C(O)/C(=C/C=C(Cl)Cl)/Br S893684 [0,1,1,0,0,0|2,0,0]=4 238 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|0,0,1]=3 239 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|0,0,1]=3 240 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|1,1,0]=4 243 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|0,1,1]=4 244 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|0,0,1]=3 247 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|0,1,1]=4 248 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [1,1,0,0,0,0|1,0,1]=4 250 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|1,0,1]=4 252 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|0,0,2]=4 254 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|0,0,1]=3 255 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|0,1,1]=4 256 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|0,1,1]=4 257 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,1,0,0,0,0|1,1,0]=4 263 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,1,0,0,0,0|1,1,0]=4 269 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|0,0,2]=4 279 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|1,0,1]=4 281 B11R1.32 N1C(=O)C(=C(C(=C1C)C)Cl)Cl S894567 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.32 OC1=C(C(=C(C=C1Cl)Br)Cl)Cl PH005340 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl S418676 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.32 OC1=C(C(=C(N=C1Cl)I)Cl)I ADE000193 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,2,0,0,0,0|0,1,1]=4 288 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,2,0,0,0,0|0,0,2]=4 289 B11R1.37 COC1=NC=C(C=C1CO)Cl ADE000185 [0,2,0,0,0,0|0,0,2]=4 290 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|1,1,0]=4 293 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.277 COC1=CC(=C(N=C1Cl)I)Cl ADE000197 [0,2,0,0,0,0|1,0,1]=4 302 B11R1.277 N#CC1=C(NC(=O)C(=C1)F)O CDS021427 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.277 OCC1=C(C=C(C(=N1)Cl)O)Cl ADE000182 [0,2,0,0,0,0|1,0,1]=4 306 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.72 COC1=C(C(=CN=C1Cl)Cl)I ADE000200 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|1,0,1]=4 312 B11R1.167 OB(O)C1=C(N=CC(=C1)Cl)F CDS022139 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.182 O/N=C/C1=CC(=CC=C1Cl)Cl PH011150 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,2,0,0,0,0|1,0,1]=4 315 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,1,0,0|1,0,1]=4 316 B7R0.16 NC(=O)C(=C(Cl)Cl)Cl PH002333 [0,0,1,0,1,0|2,0,0]=4 317 B7R1.2 O=C1C=C(CC1)Cl PH014653 [1,0,0,0,1,0|0,0,2]=4 318 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,1,0|2,0,0]=4