0 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 MAY00028 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.113 OB(O)C1=CC=NC(Br)=C1 NP43592 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 OB(O)C1=CC=NC=C1 CC04212 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.21 CC1=CC=C(B(O)O)C=C1C AC35928 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.21 NC1=CC(B(O)O)=CC=C1F NP44529 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 MO08502 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.23 NNC(=O)C1=CC(Br)=CN=C1 RDP00027 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 SPB00407 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.155 CC(C)(O)C1=CC=CC(Br)=C1 NP44462 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.155 NC1=CC=CC(S(N)(=O)=O)=C1 SB01949 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.155 NS(=O)(=O)C1=CC(Br)=CC=C1 TL00520 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] KM06414 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.266 O=[N+]([O-])C1=CC=CC(CCl)=C1 SB01266 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,0,0,0,1,0|2,0,0]=3 71 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,0,0,0,1,0|2,0,0]=3 72 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SPB00433 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.15 N\C(=N/O)C1=CC=CN=C1 S01204 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|1,1,0]=4 97 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,1,0,0,1,0|1,0,0]=3 99 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.149 COC(=O)C1=C(Br)OC=C1 CC64722 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|1,0,0]=3 103 B10R1.149 COC(=O)C1=CSC=C1N GK01904 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.192 CC1=COC(C)=C1C(=O)O CC65801 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.101 O=C(Cl)CC1=CC(F)=CC(F)=C1 SEW04659 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 SB01687 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 MO07323 [0,2,0,0,0,0|0,0,1]=3 109 B12R1.232 O=C(O)C1=CC(F)=C(Cl)N=C1Cl MO07724 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 RDP00052 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 TL00703 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 NP43794 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.367 NNC(=O)C1=CC(Cl)=C(Cl)C=C1 TL00776 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 MAY00290 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.24 N\C(=N/O)C1=C(Cl)C(Cl)=CC=C1 SPB01106 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.354 COC(=O)C1=CC(C)=CC=C1I MAY00280 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 KM02512 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 SPB05937 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.358 COC(=O)C1=CC(F)=CC(Br)=C1 MAY00092 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.358 COC(=O)C1=CC(O)=CC(N)=C1 MO08016 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 TL00894 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.435 COC(=O)C1=CC=CC(C#N)=C1 RJC00610 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 MO07352 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 MO07188 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 MAY00228 [0,2,0,0,0,0|0,0,1]=3 128 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 SPB07593 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.11 COC1=NC(Cl)=CC(C(=O)O)=C1 RF03693 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.511 CC(=O)C1=CC(F)=CC(F)=C1O BTB04131 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,2,0,0,0,0|0,0,1]=3 133 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CD11326 [0,0,1,1,0,0|1,0,0]=3 134 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,0,0,1,0,1|2,0,0]=4 135 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 MO08226 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.132 OC1=NOC2=C1C=C(Cl)C=C2 RF01279 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.196 CC1=CC=CC2=C1ON=C2O RF03630 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,0,0,0,1,0|2,0,0]=4 144 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,1,0|1,0,0]=3 148 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,0,0,0,0,1|2,0,0]=4