0 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 OB(O)C1=CN=CN=C1 CC07412 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.15 N\C(=N/O)C1=CC=CN=C1 S01204 [0,1,0,0,0,0|0,0,1]=2 16 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.28 O=S(=O)(Cl)C1=CC=CN=C1 CC04103 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.7 N=C(N)C1=COC=C1 MO00101 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.7 NC(=S)C1=CC=NO1 SPB04448 [0,0,0,0,1,0|1,1,0]=3 34 B8R1.7 NC(=S)C1=COC=C1 MO00105 [0,0,0,0,1,0|1,1,0]=3 35 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 O=C(O)C1=NON=C1 CC07901 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 O=[N+]([O-])C1=CC=NN1 FM00165 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.18 NC(=S)NC1=CC=NC=C1 SEW02754 [0,0,0,0,0,1|2,1,0]=4 45 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,0,0,0,0,1|2,0,0]=3 46 B7R1.3 NC1=NC=CN=N1 AC14623 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|0,0,2]=4 48 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.2 N#CC1=CC(Br)=CN=C1 KM08398 [1,1,0,0,0,0|0,0,2]=4 53 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,1,0,0,0,0|0,0,1]=3 57 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,1,0,0,0,0|0,0,2]=4 58 B9R1.8 S=C=NC1=CC=CN=C1 CC04107 [1,1,0,0,0,0|0,1,1]=4 59 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.15 N#CC1=CN=CC=C1I NP43745 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.11 NNC(=O)C1=CC=CN1 RF02986 [0,1,0,0,1,0|0,0,1]=3 66 B9R1.11 NNC(=O)C1=CC=CO1 BTB07860 [0,1,0,0,1,0|1,0,0]=3 67 B9R1.11 O=C(CBr)C1=CC=CS1 CC13005 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.11 O=C(CBr)C1=CSC=C1 CC13105 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.11 O=C(CBr)C1=NC=CS1 CC09505 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.35 CC1=NC(C(=N)N)=CS1 SPB03559 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.35 CC1=NC(C(N)=S)=CN1 SB02117 [0,1,0,0,1,0|1,1,0]=4 80 B9R1.35 CC1=NC(C(N)=S)=CS1 SPB02802 [0,1,0,0,1,0|1,1,0]=4 81 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.35 CN1C=CC(C(=O)Cl)=N1 CC48302 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.41 CC1=C(C(=O)Cl)C=NO1 CC26302 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.41 CN1C=NC=C1C(=O)Cl CC23602 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,1,0,0,0,1|1,1,0]=4 100 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl BTB09487 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 MO07903 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 SPB07126 [0,2,0,0,0,0|0,0,0]=2 106 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,2,0,0,0,0|0,0,0]=2 113 B11R1.166 NC1=NC(Br)=CC=C1[N+](=O)[O-] NP45235 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.166 NC1=NC(Cl)=CC=C1[N+](=O)[O-] NP18603 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.23 NNC(=O)C1=CC(Br)=CN=C1 RDP00027 [0,2,0,0,0,0|0,0,0]=2 116 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br TL00539 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.155 NC1=CC=CC(S(N)(=O)=O)=C1 SB01949 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.155 NS(=O)(=O)C1=CC(Br)=CC=C1 TL00520 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.155 O=S(=O)(Cl)C1=CC(Br)=CN=C1 CC67103 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] SPB06058 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F SPB06439 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O SPB06123 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 SPB00407 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,2,0,0,0,0|1,0,0]=3 138 B11R2.10 OC1=NC2=C(C=CC=N2)O1 SPB06586 [0,0,0,1,0,1|0,0,2]=4 139 B11R2.10 SC1=NC2=C(N=CC=C2)S1 RH00329 [0,0,0,1,0,1|1,1,0]=4 140 B11R2.1 NC1=CSC2=NC=CN=C12 MO07822 [0,1,0,1,0,0|1,1,0]=4 141 B7R1.1 NCC1=CN=CS1 MO08602 [1,0,0,0,1,0|1,0,1]=4 142 B7R1.1 NCC1=CSC=C1 CC13113 [1,0,0,0,1,0|1,0,1]=4 143 B7R1.1 NCC1=NC=CS1 CC09513 [1,0,0,0,1,0|1,0,1]=4 144 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,1,0|0,0,1]=3 145 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,0,1,0|1,0,0]=3 146 B7R1.1 O=CC1=CSN=N1 SP01373 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,0,2|2,0,0]=4 148 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,0,2|2,0,0]=4 149 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,0,2|1,1,0]=4