0 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 4 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,0,0,0,0,0|1,1,1]=4 8 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 MO08502 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.23 NNC(=O)C1=CC(Br)=CN=C1 RDP00027 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 SPB00407 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.155 CC(C)(O)C1=CC=CC(Br)=C1 NP44462 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.155 NC1=CC=CC(S(N)(=O)=O)=C1 SB01949 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.155 NS(=O)(=O)C1=CC(Br)=CC=C1 TL00520 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] KM06414 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.266 O=[N+]([O-])C1=CC=CC(CCl)=C1 SB01266 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [0,1,0,0,1,0|1,0,1]=4 76 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.149 COC(=O)C1=C(Br)OC=C1 CC64722 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|1,0,0]=3 82 B10R1.149 COC(=O)C1=CSC=C1N GK01904 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.101 O=C(Cl)CC1=CC(F)=CC(F)=C1 SEW04659 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 SB01687 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 MO07323 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 RDP00052 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 TL00703 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 NP43794 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.367 NNC(=O)C1=CC(Cl)=C(Cl)C=C1 TL00776 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 MAY00290 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.354 COC(=O)C1=CC(C)=CC=C1I MAY00280 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 KM02512 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 SPB05937 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.358 COC(=O)C1=CC(F)=CC(Br)=C1 MAY00092 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.358 COC(=O)C1=CC(O)=CC(N)=C1 MO08016 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 TL00894 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.435 COC(=O)C1=CC=CC(C#N)=C1 RJC00610 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 MO07352 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 MO07188 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 MAY00228 [0,2,0,0,0,0|0,0,1]=3 104 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 SPB07593 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.11 COC1=NC(Cl)=CC(C(=O)O)=C1 RF03693 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.511 CC(=O)C1=CC(F)=CC(F)=C1O BTB04131 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,2,0,0,0,0|1,0,1]=4 109 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CD11326 [0,0,1,1,0,0|0,0,0]=2 110 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 MAY00305 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.606 CC1=NC2=C(C=C(I)C=C2)S1 CC54711 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,1,0,0|1,1,0]=4 116 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,0,0,0,0,1|2,0,0]=4