0 B7R1.1 BrCC1=CCCC1 G-5335 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.1 BrCC1=CNC=N1 O32596 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 BrCC1=CNC=N1 O32597 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 BrCC1=COC=C1 O29970 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 BrCC1=CSC=C1 Q68601 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 BrCC1=NC=CS1 O30113 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.1 BrCC1=NC=NO1 L19388 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 C#CC1=CN=CN1 O32116 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.1 C(=O)C1=CN=CS1 Q52103 [0,0,0,0,0,0|2,1,1]=4 9 B7R1.1 C=CC1=CN=CN1 O30402 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.1 C=CC1=NNC=C1 L18271 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.1 COC1=CNN=C1 L18281 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 COC1=NNC=C1 Q61554 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 CSC1=CC=CS1 Q67758 [0,0,0,0,0,0|1,1,0]=2 14 B7R1.1 ClCC1=CC=CS1 G-5616 [0,0,0,0,0,0|1,1,0]=2 15 B7R1.1 ClCC1=CN=CS1 O30160 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.1 ClCC1=CN=CS1 O31671 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.1 ClCC1=NC=CS1 A-634 [0,0,0,0,0,0|2,1,0]=3 18 B7R1.1 ClCN1C=CC=N1 O29520 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 ClCN1N=CC=N1 O29307 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 FCC1=CNN=C1 Q63595 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 N#CC1=CC=CN1 G-6648 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 N#CC1=COC=N1 G-6100 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 N#CC1=NC=CN1 C-2923 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 N#CC1=NC=CN1 C-2923-01 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 N#CC1=NNC=C1 O30815 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=NOC=C1 L18133 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=NSC=C1 O29849 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 NCC1=CC=NN1 O30495 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 NCC1=CN=CN1 L14627 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 NCC1=CN=CO1 L14202 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 NCC1=CN=CS1 G-7859 [0,0,0,0,0,0|2,1,0]=3 32 B7R1.1 NCC1=CN=CS1 L18064 [0,0,0,0,0,0|2,1,0]=3 33 B7R1.1 NCC1=CN=CS1 O30515 [0,0,0,0,0,0|2,1,0]=3 34 B7R1.1 NCC1=CNC=N1 O30218 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.1 NCC1=CNN=C1 G-6808 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 NCC1=CNN=C1 L13681 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 NCC1=CNN=C1 Q51915 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.1 NCC1=COC=C1 O34052 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 NCC1=COC=N1 G-6098 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 NCC1=COC=N1 G-6099 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 NCC1=CON=C1 L14503 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 NCC1=CSC=N1 L14160 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 NCC1=NC=CS1 G-7857 [0,0,0,0,0,0|2,1,0]=3 44 B7R1.1 NCC1=NC=CS1 G-7858 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.1 NCC1=NN=CS1 I-9693 [0,0,0,0,0,0|3,1,0]=4 46 B7R1.1 NCC1=NOC=C1 G-6132 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 NCC1=NOC=C1 L14199 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.1 O=CC1=CCCO1 O29864 [0,0,0,0,0,0|1,0,3]=4 49 B7R1.1 O=CC1=CN=CO1 I-9061 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.1 O=CC1=COC=N1 K12239 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.1 O=CC1=CSC=N1 Q68013 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.1 O=CC1=NNC=C1 O31194 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.1 OCC1=CN=CN1 O33324 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.1 OCC1=CNN=C1 C-2849 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.1 OCC1=COC=N1 G-6097 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 OCC1=CSC=N1 O30740 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.1 OCC1=NC=CN1 Q65640 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.1 OCC1=NC=CS1 A-635 [0,0,0,0,0,0|2,1,0]=3 59 B7R1.1 OCC1=NNC=C1 G-5586 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.1 OCC1=NOC=C1 G-7175 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.1 OCC1CC=CC1 G-6600 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 BrC1=CC=CO1 P37236 [1,0,0,0,0,0|1,0,0]=2 63 B6R1.2 BrC1=CC=NN1 G-7014 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 BrC1=CN=CS1 P38940 [1,0,0,0,0,0|2,1,0]=4 65 B6R1.2 BrC1=NC=CN1 P40717 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 BrC1=NSC=C1 O31504 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 CC1=CNC=C1 L13609 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CC1=CNN=C1 M22981 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 CC1=COC=C1 10706 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 CC1=COC=N1 M15472 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1C=CC=N1 G-7493 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 CN1C=CN=N1 O30707 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 CN1CC=CC1 Q61507 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 ClC1=CC=NN1 I-9279 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 ClC1=CNC=N1 F-4664 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 ClC1=CSC=N1 L13978 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 ClC1=NC=CN1 O34261 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 ClC1=NSC=C1 K10869 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 FC1=CC=NN1 L13110 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 FC1=CN=CN1 L22294 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 IC1=CNC=N1 A-910 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 IC1=NC=CN1 P38939 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 IC1=NC=CO1 G-7159 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 IC1=NC=CS1 A-965 [1,0,0,0,0,0|2,1,0]=4 85 B6R1.2 IC1=NNC=C1 H-8099 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=CC=NN1 A-809 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=CN=CS1 O30332 [1,0,0,0,0,0|2,1,0]=4 88 B6R1.2 NC1=CN=CS1 P44438 [1,0,0,0,0,0|2,1,0]=4 89 B6R1.2 NC1=CNC=N1 O32717 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 NC1=NC=CN1 I-9868 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 NC1=NC=CO1 E-3055 [1,0,0,0,0,0|2,0,0]=3 92 B6R1.2 NC1=NOC=C1 C-3347 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 NN1C=CC=C1 G-5643 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 O=C1C=CSN1 K10928 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 ON1C=CC=N1 Q54490 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 S=C1NC=CO1 L19666 [1,0,0,0,0,0|2,0,0]=3 97 B6R1.2 SC1=CSC=C1 O29467 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=CC(CBr)=NO1 O31840 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CC1=CC(CCl)=NN1 L20922 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CC1=CC=C(C#N)S1 Q51922 [0,1,0,0,0,0|1,1,1]=4 101 B8R1.1 CC1=CN=C(C#N)O1 Q69468 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.1 CC1=CN=C(CN)O1 O33597 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.1 CC1=CN=C(CO)N1 L22216 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [0,1,0,0,0,0|1,1,1]=4 105 B8R1.1 CC1=CSC(CO)=C1 Q68378 [0,1,0,0,0,0|1,1,0]=3 106 B8R1.1 CC1=CSC(CO)=N1 O31821 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.1 CC1=NC(CBr)=CS1 L20988 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CC1=NC(CCl)=CO1 O29885 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CC1=NC(CCl)=CS1 O30578 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CC1=NC(CN)=CS1 O30768 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.1 CC1=NC(CO)=CO1 O31665 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 CC1=NOC(CBr)=C1 Q69999 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 CCC1=CNC(C)=N1 O32620 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CCC1=NC(Br)=CN1 K12066 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 CCC1=NC=C(Br)S1 K12067 [0,1,0,0,0,0|1,1,0]=3 116 B8R1.1 CCC1=NNC(N)=C1 A-620 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.1 CCC1=NOC(N)=C1 H-8929 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.1 CCN1C=C(Br)C=N1 A-662 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.1 CCN1C=C(N)C=N1 A-663 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 CCN1C=C(O)C=N1 Q61945 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.1 CN1C=CC(CCl)=N1 L21300 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CN1C=CC(CCl)=N1 O30149 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CN1C=CC(CN)=N1 P44613 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CN1C=CC(CO)=N1 O33308 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CN1C=NC(CN)=C1 G-5996 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CN1C=NC(CN)=C1 G-5996-1 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 CN1C=NC(CN)=C1 L22173 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 COC1=CC(N)=NN1 C-3466 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 COC1=CC(N)=NN1 Q52443 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 COC1=NC=C(Br)S1 M23855 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.1 COC1=NNC(Br)=C1 Q52304 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CSC1=CC(Br)=CS1 N26878 [0,1,0,0,0,0|1,1,0]=3 133 B8R1.1 CSC1=CC(C)=CS1 N26956 [0,1,0,0,0,0|1,1,0]=3 134 B8R1.1 CSC1=CC=C(Br)S1 Q67761 [0,1,0,0,0,0|1,1,0]=3 135 B8R1.1 CSC1=NC(Br)=CS1 O30757 [0,1,0,0,0,0|2,1,0]=4 136 B8R1.1 ClCC1=CC(Br)=NO1 O30843 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.1 ClCC1=CC=C(Br)O1 O30299 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.1 ClCC1=CSC(Cl)=N1 O30847 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 N#CC1=CC(Cl)=CS1 O29929 [0,1,0,0,0,0|1,1,1]=4 140 B8R1.1 N#CC1=CC=C(Br)S1 G-5589 [0,1,0,0,0,0|1,1,1]=4 141 B8R1.1 N#CC1=CC=C(Cl)S1 G-5618 [0,1,0,0,0,0|1,1,1]=4 142 B8R1.1 N#CC1=CC=C(F)S1 G-5622 [0,1,0,0,0,0|1,1,1]=4 143 B8R1.1 NC1=CC(CO)=NN1 F-4006 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 NC1=NC=C(CO)S1 P41733 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.1 NCC1=CC(Br)=CS1 O33586 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 NCC1=CC(Cl)=CS1 L13105 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.1 NCC1=CC(Cl)=CS1 O31449 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.1 NCC1=CC=C(Br)S1 L14034 [0,1,0,0,0,0|1,1,0]=3 149 B8R1.1 NCC1=CC=C(Cl)S1 I-9793 [0,1,0,0,0,0|1,1,0]=3 150 B8R1.1 NCC1=CC=C(Cl)S1 P39739 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.1 NCC1=CC=C(F)S1 G-6513 [0,1,0,0,0,0|1,1,0]=3 152 B8R1.1 NCC1=CN=C(Cl)S1 P42295 [0,1,0,0,0,0|2,1,0]=4 153 B8R1.1 NCC1=CSC(Br)=C1 O33369 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 NCC1=CSC(Br)=C1 O34212 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 NCC1=CSC(Cl)=C1 G-5520 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 NCC1=NC=C(Br)S1 I-9749 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.1 NCC1=NC=C(Cl)S1 L14499 [0,1,0,0,0,0|2,1,0]=4 158 B8R1.1 NCC1=NNC(F)=C1 Q52442 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [0,1,0,0,0,0|1,1,1]=4 160 B8R1.1 O=CC1=CC(I)=CN1 O30775 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.1 O=CC1=CC=C(Cl)S1 G-5619 [0,1,0,0,0,0|1,1,1]=4 162 B8R1.1 OCC1=CC(Br)=NO1 O30797 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.1 OCC1=CC(Cl)=CS1 G-5627 [0,1,0,0,0,0|1,1,0]=3 164 B8R1.1 OCC1=CC=C(Br)S1 Q68061 [0,1,0,0,0,0|1,1,0]=3 165 B8R1.1 OCC1=CC=C(Cl)S1 P36343 [0,1,0,0,0,0|1,1,0]=3 166 B8R1.1 OCC1=CC=C(F)S1 G-6512 [0,1,0,0,0,0|1,1,0]=3 167 B8R1.1 OCC1=CN=C(Br)S1 O31937 [0,1,0,0,0,0|2,1,0]=4 168 B8R1.1 OCC1=CSC(Br)=C1 N25883 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 OCC1=CSC(Br)=N1 P37668 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 OCC1=CSC(Cl)=C1 G-5626 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 OCC1=NC(Br)=CS1 G-7038 [0,1,0,0,0,0|2,1,0]=4 172 B8R1.1 OCC1=NC=C(Br)N1 O33372 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.1 OCC1=NC=C(Br)S1 G-6844 [0,1,0,0,0,0|2,1,0]=4 174 B8R1.1 OCC1=NC=C(Cl)S1 I-9903 [0,1,0,0,0,0|2,1,0]=4 175 B8R1.1 OCC1=NNC(Br)=C1 Q62475 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 OCC1=NNC(F)=C1 Q52441 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,1,0,0,0,0|0,0,0]=1 180 B8R1.7 CC(C)N1C=CC=N1 Q67289 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.7 CC(N)C1=CC=NN1 O29815 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.7 CC(N)C1=NC=CS1 P51364 [0,1,0,0,0,0|1,1,0]=3 183 B8R1.7 CC(N)C1=NOC=N1 L20790 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.7 CC(O)C1=CN=CS1 O32402 [0,1,0,0,0,0|1,1,0]=3 185 B8R1.7 CC(O)C1=CSC=C1 O31068 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [0,1,0,0,0,0|1,1,0]=3 187 B8R1.7 C[C@@H](O)C1=CNN=C1 Q64405 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [0,1,0,0,0,0|1,1,0]=3 190 B8R1.7 C[C@H](O)C1=CNN=C1 Q64406 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.7 NC(=S)C1=CN=CO1 O30338 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.8 CNCC1=CC=CO1 K10906 [0,1,0,0,0,0|0,0,0]=1 197 B8R1.8 CNCC1=CNN=N1 L20488 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.8 CNCC1=COC=C1 P39518 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.8 CNCC1=CSC=C1 P39815 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.8 CNCC1=NNC=C1 Q61062 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.8 COCC1=CC=CS1 N26844 [0,1,0,0,0,0|0,1,0]=2 202 B8R1.8 COCC1=CNN=C1 P45683 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.8 ClCCC1=CC=NN1 Q61921 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.8 N#CCC1=CC=CO1 H-8398 [0,1,0,0,0,0|0,0,1]=2 205 B8R1.8 N#CCC1=CN=CN1 G-5552 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.8 N#CCC1=NC=CS1 G-5780 [0,1,0,0,0,0|1,1,1]=4 207 B8R1.8 N#CCC1=NNC=C1 Q51930 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.8 NCCC1=CC=CO1 O34064 [0,1,0,0,0,0|0,0,0]=1 209 B8R1.8 NCCC1=CSC=C1 G-7583 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.8 NCCC1=NN=CS1 G-7856 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.8 NCCC1=NOC=N1 L19214 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.8 NCCC1=NOC=N1 L19828 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.8 NCCN1C=CC=C1 P38998 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.8 NCCN1C=CC=N1 P43070 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.8 NCCN1C=CN=C1 O32262 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.8 NCCN1C=CN=C1 P37320 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.8 NCCN1C=NC=N1 L20140 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 O=CCN1C=CC=N1 S72479 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.8 OCCC1=CC=CS1 I-9194 [0,1,0,0,0,0|0,1,0]=2 220 B8R1.8 OCCC1=CN=CN1 G-7568 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.8 OCCC1=CNN=C1 A-904 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.8 OCCC1=NC=CS1 L19275 [0,1,0,0,0,0|1,1,0]=3 223 B8R1.8 OCCC1=NNC=C1 P51145 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.8 OCCN1C=CN=N1 P51641 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.8 OCCN1N=CC=N1 P51642 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.11 BrCC1=C(Br)SC=C1 G-5372 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.11 CC1=C(C#N)OC=N1 O30071 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.11 CC1=C(CN)SC=N1 H-8094 [0,1,0,0,0,0|2,1,0]=4 229 B8R1.11 CC1=CNN=C1CN O33259 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.11 CC1=CNN=C1CN Q61524 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.11 CC1=CNN=C1CO Q61877 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.11 CCN1C=CN=C1Cl O30463 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.11 CCN1N=CC=C1N G-7577 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.11 CCN1N=CC=C1O Q61825 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.11 CN1C=CN=C1CCl O30212 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.11 CN1C=CN=C1CN P44570 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.11 CN1C=NC=C1CN F-4025 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.11 CN1C=NC=C1CO F-4024 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.11 CN1N=CC=C1CCl Q55501 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.11 CN1N=CC=C1CN O30277 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.11 CN1N=CC=C1CN O30588 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 CN1N=CC=C1CO O30710 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.11 CNC1=NC=CN1C H-8117 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.11 CNC1=NC=CN1C H-8117-01 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 COC1=CC=NN1C Q69571 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.11 COC1=CSC=C1N O29276 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.11 COC1=CSC=C1N O29280 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 CSC1=C(Br)C=CS1 N26856 [0,1,0,0,0,0|1,1,0]=3 249 B8R1.11 N#CC1=C(Br)C=CS1 Q67411 [0,1,0,0,0,0|1,1,1]=4 250 B8R1.11 N#CC1=CC=CN1N G-5646 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.11 N#CC1=CC=CN1N Q54648 [0,1,0,0,0,0|2,0,1]=4 252 B8R1.11 NCC1=C(Cl)C=CS1 G-6088 [0,1,0,0,0,0|1,1,0]=3 253 B8R1.11 O=CC1=C(Br)C=CS1 Q66577 [0,1,0,0,0,0|1,1,1]=4 254 B8R1.11 OCC1=C(Br)C=CS1 L13988 [0,1,0,0,0,0|1,1,0]=3 255 B8R1.11 OCC1=C(Cl)C=CS1 G-7167 [0,1,0,0,0,0|1,1,0]=3 256 B8R1.11 OCC1=NNC=C1Br Q61522 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.11 OCC1=NNC=C1Br Q61523 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.2 BrCC1=CC=CN=C1 P36550 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.2 BrCC1=CN=CN=C1 Q65336 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.2 BrCC1=NC=NC=C1 P51553 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.2 C#CC1=CC=NC=C1 G-7546 [0,0,0,0,0,1|1,0,2]=4 262 B8R1.2 C#CC1=CC=NC=C1 L13525 [0,0,0,0,0,1|1,0,2]=4 263 B8R1.2 C#CC1=NC=CN=C1 O31505 [0,0,0,0,0,1|1,0,2]=4 264 B8R1.2 C#CC1=NN=CC=C1 G-5224 [0,0,0,0,0,1|1,0,2]=4 265 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 C=CC1=CC=CN=C1 O30687 [0,0,0,0,0,1|1,0,2]=4 269 B8R1.2 CNC1=CC=NC=N1 Q58573 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.2 CNC1=CN=CN=C1 L13923 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 CNC1=NN=CC=C1 O29994 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.2 COC1=CN=CN=C1 M15459 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.2 ClCC1=CC=CN=N1 C-2225 [0,0,0,0,0,1|2,0,0]=3 274 B8R1.2 ClCC1=CN=CC=N1 C-2219 [0,0,0,0,0,1|2,0,0]=3 275 B8R1.2 ClCC1=CN=CN=C1 C-2216 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.2 ClCC1=NC=CC=N1 C-2222 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.2 ClCC1=NC=CN=C1 L14125 [0,0,0,0,0,1|2,0,0]=3 278 B8R1.2 ICC1=CC=CC=C1 P37031 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.2 N#CC1=CC=NC=C1 Q58209 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.2 N#CC1=NN=CC=C1 F-4404 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.2 NCC1=CC=CN=N1 L21914 [0,0,0,0,0,1|2,0,0]=3 282 B8R1.2 NCC1=CC=NC=C1 O30621 [0,0,0,0,0,1|2,0,0]=3 283 B8R1.2 NCC1=CC=NC=N1 C-2474 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.2 NCC1=CC=NC=N1 L13752 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.2 NCC1=CC=NN=C1 C-3221 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.2 NCC1=CN=CN=C1 C-3222 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.2 NCC1=CN=CN=C1 L14043 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.2 NCC1=NC=CC=N1 C-3224 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [0,0,0,0,0,1|2,0,0]=3 291 B8R1.2 NCC1=NC=CN=C1 C-3223 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.2 NCC1=NN=CC=C1 C-2473 [0,0,0,0,0,1|2,0,0]=3 293 B8R1.2 NCC1CCC=CO1 Q65014 [0,0,0,0,0,1|1,0,2]=4 294 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [0,0,0,0,0,1|1,0,2]=4 295 B8R1.2 NNC1=CC=CN=C1 C-3227 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.2 NNC1=CC=NC=C1 C-3226 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 NNC1=CC=NC=C1 L19135 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.2 NNC1=CC=NC=C1 O31964 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.2 NNC1=NC=CN=C1 C-2269 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.2 NNC1=NC=NC=C1 O34192 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 NNC1=NN=CC=C1 O30576 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 OCC1=CC=CN=N1 C-2224 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.2 OCC1=CC=NC=N1 C-2228 [0,0,0,0,0,1|2,0,0]=3 304 B8R1.2 OCC1=CC=NN=C1 C-2213 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.2 OCC1=CCCCO1 Q54672 [0,0,0,0,0,1|1,0,2]=4 306 B8R1.2 OCC1=CN=CC=N1 C-2217 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.2 OCC1=CN=CN=C1 C-2215 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.2 OCC1=NC=CC=N1 C-2220 [0,0,0,0,0,1|2,0,0]=3 309 B5R0.3 C=CC(C)ON P51545 [1,0,1,0,0,0|1,0,1]=4 310 B5R1.1 C1=COC=N1 G-5929 [2,0,0,0,0,0|1,0,0]=3 311 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,1,1,0,0,0|1,0,1]=4 312 B7R1.2 BrC1=CC=C(I)S1 N24353 [1,1,0,0,0,0|1,1,0]=4 313 B7R1.2 CC1=CC(N)=NN1 G-7311 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.2 CC1=CSC(Cl)=N1 O30642 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.2 CC1=CSC(N)=C1 G-5634 [1,1,0,0,0,0|1,1,0]=4 316 B7R1.2 CC1=NC(Br)=CS1 L22293 [1,1,0,0,0,0|1,1,0]=4 317 B7R1.2 CC1=NN(C)C=C1 A-857 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.2 CC1=NNC(Br)=C1 O34436 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.2 CC1=NNC(O)=C1 I-9200 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 CN1C=C(I)C=N1 A-966 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.2 CN1C=C(N)C=N1 A-868 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.2 CN1C=CC(=O)N1 Q61559 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.2 CN1C=CC(Br)=C1 F-4804 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 CN1C=CC(Br)=N1 G-5994 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 CN1C=CC(Cl)=N1 Q69919 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 CN1C=CC(I)=N1 F-4236 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 CN1C=CC(N)=N1 I-9167 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.2 NC1=CSC(Br)=C1 L13953 [1,1,0,0,0,0|1,1,0]=4 330 B7R1.2 NC1=CSC(Br)=C1 O33601 [1,1,0,0,0,0|1,1,0]=4 331 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [1,1,0,0,0,0|1,1,0]=4 332 B7R1.4 CC1=C(Br)C=CS1 Q67355 [1,1,0,0,0,0|0,1,0]=3 333 B7R1.4 CC1=C(Br)SC=N1 O31826 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.4 CC1=C(C)NN=C1 Q55565 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.4 CC1=C(Cl)NC=N1 Q54649 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.4 CC1=C(N)SC=N1 O29410 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.4 CC1=CNC=C1C C-3629 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.4 CC1=CSC=C1Br Q66876 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.4 CC1=CSC=C1C Q70046 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 CC1=CSC=C1N L14926 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.4 CC1=NNC=C1Br I-9173 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.4 CN1N=CC=C1Cl Q61745 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.4 ClC1=C(I)SC=C1 Q53198 [1,1,0,0,0,0|1,1,0]=4 344 B7R1.4 NC1=C(Br)C=CS1 M15148 [1,1,0,0,0,0|1,1,0]=4 345 B9R1.1 BrCC1=CN=C(Br)C=C1 M23057 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.1 BrCC1=NC=C(Br)C=C1 O32745 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.1 CC1=CC=C(CN)N=N1 C-3426 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.1 CC1=CN=C(CCl)C=N1 G-7947 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.1 CC1=CN=C(CCl)C=N1 O31027 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.1 CC1=CN=C(CCl)N=C1 G-6320 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.1 CC1=CN=C(CCl)N=C1 Q56401 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.1 CC1=CN=C(CN)C=N1 L14005 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.1 CC1=CN=C(CN)N=C1 G-7178 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.1 CC1=CN=C(CO)N=C1 G-6318 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.1 CC1=NC=C(CN)N=C1 P50562 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.1 CC1=NN=C(CN)C=C1 I-9402 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [0,1,0,0,0,1|1,0,0]=3 362 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.1 CCC1=CN=C(Cl)N=C1 G-6620 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [0,1,0,0,0,1|1,0,0]=3 365 B9R1.1 CCC1=NC=C(Br)C=N1 O33428 [0,1,0,0,0,1|1,0,0]=3 366 B9R1.1 CCC1=NC=C(N)C=N1 G-7879 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.1 CNC1=NC=C(Br)C=N1 O29243 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.1 CNC1=NC=C(Cl)C=N1 Q57222 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.1 CNC1=NC=C(I)C=N1 Q58560 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.1 COC1=CN=C(Br)C=N1 O34252 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.1 COC1=CN=C(F)C=C1 N24701 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 COC1=CN=C(N)C=N1 O31841 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 COC1=NC=C(F)C=C1 P37735 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 COC1=NC=C(N)C=N1 O31128 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 COC1=NN=C(N)C=C1 P36408 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CSC1=NC=C(Br)C=C1 Q66696 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 CSC1=NC=C(Cl)C=C1 N24817 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 ClC1=CN=C(CBr)C=C1 L18293 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 ClCC1=CN=C(Br)C=C1 O34227 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 ClCC1=NC=C(Br)C=N1 Q56405 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 ClCC1=NC=C(Cl)C=N1 L22054 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 ClCC1=NC=C(Cl)C=N1 Q56404 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 FC1=CN=C(CBr)N=C1 Q52930 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 FC1=CN=C(CCl)C=C1 Q60053 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 FC1=CN=C(CCl)N=C1 L22238 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 FC1=CN=C(CCl)N=C1 Q56402 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 FC1=NC=C(CBr)C=C1 G-6035 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 FC1=NC=C(CCl)C=C1 F-4121 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 NC1=CN=C(CO)N=C1 Q52401 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 NCC1=CC=C(O)C=N1 O29328 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 NCC1=CC=C(O)C=N1 O31467 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 NCC1=CNC(=O)C=C1 G-5535 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 NCC1=NC=C(Br)C=C1 G-7736 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 NCC1=NC=C(Br)C=C1 L14589 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.1 NCC1=NC=C(Br)C=C1 O30462 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.1 NCC1=NC=C(Br)C=N1 G-7163 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.1 NCC1=NC=C(Br)C=N1 L21926 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 NCC1=NC=C(Cl)C=C1 O30447 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.1 NCC1=NC=C(Cl)C=C1 O31783 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 NCC1=NC=C(Cl)C=C1 P36637 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 NCC1=NC=C(Cl)C=N1 P43786 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.1 NCC1=NC=C(Cl)C=N1 Q56403 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.1 NCC1=NC=C(Cl)N=C1 O31596 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 NCC1=NC=C(F)C=C1 P37408 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.1 NCC1=NC=C(F)C=N1 L14273 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 NCC1=NC=C(F)C=N1 Q56302 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.1 OC1=CN=C(CF)N=C1 Q62955 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.1 OCC1=CC=C(Br)N=C1 O34239 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.1 OCC1=CC=C(Cl)N=N1 I-9934 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.1 OCC1=CC=C(F)N=C1 O30867 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.1 OCC1=NC=C(Br)C=N1 L22275 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.1 OCC1=NC=C(Cl)C=C1 N24430 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.1 OCC1=NC=C(Cl)C=N1 O33482 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.1 OCC1=NC=C(Cl)N=C1 G-5313 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.1 OCC1=NC=C(F)C=C1 C-3467 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.1 OCC1=NC=C(F)C=N1 G-6053 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 BrCC1=CC=CC(Br)=N1 P35902 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 CC1=CC(CCl)=NC=N1 Q58765 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 CC1=CC(CN)=NN=C1 L22164 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 CC1=CC=NC(CN)=N1 Q56400 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 CC1=CN=NC(CO)=C1 Q56709 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 CC1=NC(CCl)=NC=C1 G-7251 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 CC1=NC(CN)=NC=C1 L14171 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 CC1=NC(CO)=NC=C1 G-7252 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 CC1=NC=CC(CCl)=N1 Q58761 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 CC1=NC=CC(CO)=N1 Q58594 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 CC1=NC=NC(CO)=C1 G-7256 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.2 CCC1=CC(Cl)=NC=N1 P51150 [0,1,0,0,0,1|1,0,0]=3 462 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.2 CCC1=NC=CC(Cl)=N1 L18383 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 COC1=CC(C)=CN=C1 N25271 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 COC1=CC=CC(I)=N1 O32550 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 COC1=CC=NC(=S)N1 H-8155 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 COC1=CN=CC(Br)=N1 O30481 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.2 COC1=CN=CC(N)=N1 O31831 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 COC1=CN=CC(O)=C1 O31805 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.2 COC1=NC(N)=CC=N1 C-2497 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 COC1=NC=CC(Cl)=N1 L22353 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.2 COC1=NC=CC(O)=C1 N25339 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 COC1=NC=CC(O)=N1 O30030 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.2 CSC1=NC(Cl)=NC=C1 O31924 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 CSC1=NC=CC(=O)N1 C-3321 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.2 CSC1=NC=CC(Cl)=N1 G-5360 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 CSC1=NC=CC(I)=N1 M24035 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 ClC1=CN=CC(CBr)=C1 Q53180 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.2 ClC1=NC(CBr)=CC=C1 N26153 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 ClCC1=CC(Cl)=CN=C1 F-4077 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.2 ClCC1=CC(Cl)=NC=C1 I-9215 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 ClCC1=CN=CC(Cl)=C1 Q53715 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.2 ClCC1=NC(Cl)=NC=C1 O29900 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 FC1=CN=CC(CCl)=C1 C-3497 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 NC1=CC(CO)=NC=N1 Q57201 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 NC1=CC=NC(CCl)=N1 Q58579 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 NC1=NC=CC(CO)=C1 G-7574 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 NCC1=CC(=O)NC=C1 C-3609 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 NCC1=CC(=O)NC=C1 P44155 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 NCC1=CC(Cl)=NC=C1 I-9257 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 NCC1=CC(Cl)=NC=C1 L22480 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.2 NCC1=CC(F)=NC=C1 O29911 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.2 NCC1=CC(F)=NC=C1 O31041 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.2 NCC1=CC(N)=NC=N1 G-6200 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 NCC1=CC=CC(=O)N1 O30155 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 NCC1=CC=NC(Cl)=N1 P48695 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.2 NCC1=CC=NC(Cl)=N1 Q56710 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.2 NCC1=NC(=O)NC=C1 Q51935 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.2 NCC1=NC=CC(Cl)=N1 H-8844 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.2 NCC1=NC=CC(Cl)=N1 Q52695 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 NCC1=NC=CC(N)=N1 Q58583 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 NCC1=NC=NC(N)=C1 L13264 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 NCC1=NC=NC(O)=C1 G-6198 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.2 O=C1C=C(CO)C=CN1 C-2797 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 O=C1C=CC=C(CO)N1 Q52489 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 OCC1=CC(Cl)=CN=C1 P39543 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 OCC1=CC(Cl)=NC=C1 Q67739 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 OCC1=CC(Cl)=NC=N1 G-7201 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 OCC1=CC(F)=CN=C1 C-3496 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 OCC1=CC(F)=NC=C1 P41706 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 OCC1=CN=CC(Br)=C1 P38449 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 OCC1=NC(Br)=CC=C1 P38733 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 OCC1=NC(F)=CC=C1 P38880 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 O29734 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,1,0,0,0,1|1,0,1]=4 566 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,1,0,0,0,1|1,0,1]=4 567 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,1,0,0,0,1|1,0,1]=4 569 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [0,1,0,0,0,1|1,0,0]=3 570 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,1,0,0,0,1|1,0,0]=3 571 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [0,1,0,0,0,1|1,0,0]=3 572 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,1,0,0,0,1|1,0,0]=3 577 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [0,1,0,0,0,1|1,0,0]=3 578 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,1,0,0,0,1|1,0,0]=3 581 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,1,0,0,0,1|1,0,0]=3 582 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [0,1,0,0,0,1|1,0,0]=3 584 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [0,1,0,0,0,1|1,0,0]=3 586 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [0,1,0,0,0,1|1,0,0]=3 587 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [0,1,0,0,0,1|1,0,0]=3 588 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [0,1,0,0,0,1|1,0,0]=3 589 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [0,1,0,0,0,1|1,0,1]=4 590 B9R1.8 CCNC1=NN=CC=C1 O31986 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.8 CNCC1=CC=CN=C1 P35002 [0,1,0,0,0,1|1,0,0]=3 592 B9R1.8 CNCC1=CC=NC=C1 P36555 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.8 CNCC1=CN=CN=C1 G-7225 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.8 CNCC1=NC=CC=C1 P39822 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.8 CNCC1=NC=CC=N1 L18100 [0,1,0,0,0,1|1,0,0]=3 596 B9R1.8 N#CCC1=CC=CN=N1 G-5173 [0,1,0,0,0,1|1,0,1]=4 597 B9R1.8 N#CCC1=CC=NC=C1 P41732 [0,1,0,0,0,1|1,0,1]=4 598 B9R1.8 N#CCC1=NC=CC=N1 G-5170 [0,1,0,0,0,1|1,0,1]=4 599 B9R1.8 N#CCC1=NC=NC=C1 G-5174 [0,1,0,0,0,1|1,0,1]=4 600 B9R1.8 NCCC1=CC=NC=N1 L14509 [0,1,0,0,0,1|1,0,0]=3 601 B9R1.8 NCCC1=NC=CC=N1 L14904 [0,1,0,0,0,1|1,0,0]=3 602 B9R1.8 NCCC1=NC=CC=N1 Q55474 [0,1,0,0,0,1|1,0,0]=3 603 B9R1.8 NCCC1=NC=NC=C1 Q56454 [0,1,0,0,0,1|1,0,0]=3 604 B9R1.8 NNCC1=CC=CC=C1 P43525 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.8 NNCC1=CC=CN=C1 O31533 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.8 NNCC1=CC=NC=C1 C-3253 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.8 NNCC1=CC=NC=C1 L13556 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.8 NNCC1=CC=NC=C1 O32212 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.8 NNCC1=CN=CC=C1 C-3254 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.8 NNCC1=NC=CC=C1 C-3255 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.8 NNCC1=NC=CC=C1 O31423 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.8 NNCC1=NC=CC=N1 C-2760 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.8 NNCC1=NC=CN=C1 G-5311 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [0,1,0,0,0,1|1,0,1]=4 615 B9R1.8 OCCC1=CC=CN=C1 O28068 [0,1,0,0,0,1|1,0,0]=3 616 B9R1.8 OCCC1=CC=NC=C1 P37585 [0,1,0,0,0,1|1,0,0]=3 617 B9R1.8 OCCC1=CC=NC=N1 Q56821 [0,1,0,0,0,1|1,0,0]=3 618 B9R1.8 OCCC1=NC=CC=N1 Q56820 [0,1,0,0,0,1|1,0,0]=3 619 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [0,1,0,0,0,1|1,0,1]=4 620 B9R1.15 BrCC1=CC=CN=C1Br O30364 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.15 BrCC1=NC=CC=C1Br O34067 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.15 CC1=C(CBr)C=CC=N1 L22017 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.15 CC1=C(CCl)C=CN=C1 L18062 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.15 CC1=C(CCl)N=CC=N1 L21412 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.15 CC1=C(CN)C=CN=C1 O30239 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 CC1=CC=CN=C1CBr O30100 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.15 CC1=CC=CN=C1CN P40986 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.15 CC1=CC=NN=C1CN O32943 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.15 CC1=CN=CC=C1CO C-2894 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.15 CC1=NC=CC=C1CCl L13040 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.15 CC1=NC=CC=C1CN P37228 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.15 CC1=NC=CC=C1CO 10789 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 CC1=NC=CN=C1CN G-7282 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.15 CC1=NC=CN=C1CN Q56446 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 CC1=NC=CN=C1CO I-9745 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [0,1,0,0,0,1|1,0,0]=3 640 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [0,1,0,0,0,1|1,0,0]=3 641 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [0,1,0,0,0,1|1,0,0]=3 642 B9R1.15 CCC1=C(Br)C=NC=C1 P44427 [0,1,0,0,0,1|1,0,0]=3 643 B9R1.15 CCC1=CC=CN=C1N P38117 [0,1,0,0,0,1|1,0,0]=3 644 B9R1.15 CCC1=NC=NC=C1F C-2874 [0,1,0,0,0,1|1,0,0]=3 645 B9R1.15 CNC1=NC=CC=C1F Q69363 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 CNC1=NC=CC=C1I N27017 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.15 CNC1=NC=CC=C1N M23208 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 CNC1=NN=CC=C1Br O29409 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 COC1=C(I)C=NC=C1 N24568 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 COC1=C(N)C=NC=C1 O31833 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 COC1=C(O)C=NC=C1 O30206 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.15 COC1=CC=CN=C1Br Q70056 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.15 COC1=CC=CN=C1Cl Q67413 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 COC1=CC=CN=C1F Q67464 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 COC1=CC=CN=C1N Q67917 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 COC1=NC=CC=C1Br Q66368 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 COC1=NC=CC=C1Cl Q67093 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 COC1=NC=CC=C1O Q67611 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 COC1=NC=CN=C1N O30666 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 COC1=NC=NC=C1N O30116 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 COC1=NC=NC=C1N O31509 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 CSC1=C(F)C=NC=C1 N26954 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 CSC1=CC=CN=C1Cl N24208 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 CSC1=CC=CN=C1F Q67766 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 CSC1=NC=CC=C1Cl N27821 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 ClC1=CC=CN=C1CBr O29992 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 ClC1=CC=CN=C1CBr O30940 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.15 ClCC1=CC=CN=C1Cl G-5569 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.15 FC1=C(CCl)C=CC=N1 Q55014 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.15 FC1=CC=CN=C1CBr F-4122 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 FC1=CC=CN=C1CBr L22053 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 FC1=CN=CC=C1CBr Q64618 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.15 FC1=NC=CC=C1CBr P38938 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 NC1=CC=CC=C1CO G-7793 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 NC1=NC=CC=C1CO O32321 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 NCC1=C(Br)C=NC=C1 Q52844 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.15 NCC1=C(Cl)C=NC=C1 O29784 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.15 NCC1=C(F)C=NC=C1 O30341 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.15 NCC1=C(F)C=NC=C1 O31298 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.15 NCC1=C(N)C=CN=C1 Q53195 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.15 NCC1=CC=CC=C1Br P38336 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.15 NCC1=CC=CC=C1I P38307 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.15 NCC1=CC=CN=C1Cl G-7575 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.15 NCC1=CC=CN=C1Cl O31037 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.15 NCC1=CC=CN=C1N Q58373 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.15 NCC1=NC=CC=C1Br P43535 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.15 NCC1=NC=CC=C1Cl L14332 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.15 NCC1=NC=CC=C1Cl P37858 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 NCC1=NC=CC=C1F L21946 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.15 NCC1=NC=CC=C1F P45775 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 NCC1=NC=CN=C1Cl I-9639 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 NCC1=NC=CN=C1Cl M15838 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 O=C1NC=CC=C1CO L18304 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.15 OCC1=C(Br)C=NC=C1 P41171 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 OCC1=C(Cl)C=NC=C1 P36007 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 OCC1=C(F)C=NC=C1 G-5482 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.15 OCC1=CC=CN=C1Br P41707 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.15 OCC1=CC=CN=C1Cl C-3458 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 OCC1=CC=CN=C1F Q67775 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 OCC1=NC=CC=C1F C-2822 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 OCC1=NC=CC=C1O P41369 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 OCC1=NC=CN=C1Cl C-3728 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 [O-][N+]1=CC=CC=C1CCl O31709 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.7 CC1=CC(CCCl)=NO1 L19307 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.7 CC1=CC=C(CCO)O1 P51657 [0,2,0,0,0,0|0,0,0]=2 719 B9R1.7 CC1=CSC(CCN)=N1 L20707 [0,2,0,0,0,0|1,1,0]=4 720 B9R1.7 CC1=NC(CCN)=CN1 O32293 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.7 CC1=NN(CCBr)C=C1 Q61536 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.7 CC1=NOC(CCCl)=C1 L19116 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.7 CC1=NOC(CCN)=C1 L19848 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.7 CC1=NOC(CCO)=C1 L18602 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.7 CCCC1=NOC(N)=C1 A-706 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.7 CCCN1C=C(Br)C=N1 L14089 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.7 CCOC1=NC=C(Br)S1 O30778 [0,2,0,0,0,0|1,1,0]=4 728 B9R1.7 CCOC1=NNC(Br)=C1 I-9353 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.7 CN1C=CC(CCO)=N1 Q61952 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.7 CNCC1=CC=C(Br)S1 P35247 [0,2,0,0,0,0|0,1,0]=3 731 B9R1.7 CNCC1=CN(C)C=N1 O33217 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.7 CNCC1=NC(C)=NO1 L21074 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.7 CNCC1=NN=C(C)O1 L20854 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.7 COCC1=CC(N)=NN1 F-4005 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.7 COCC1=CC(N)=NO1 L20333 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.7 COCC1=CC=C(Br)S1 N25363 [0,2,0,0,0,0|0,1,0]=3 737 B9R1.7 NC1=CN(CCF)N=C1 Q63111 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.7 NC1=CN(CCO)N=C1 A-734 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.7 NC1=NN(CCF)C=C1 Q63607 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.7 OCCN1C=C(Br)C=N1 O31175 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.7 OCCN1C=C(I)C=N1 Q69907 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.21 C(=O)C1=CN(CC)N=C1 A-912 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.21 CCC1=CC=C(C=O)S1 Q68134 [0,2,0,0,0,0|0,1,0]=3 744 B9R1.21 CCN1C=CC(C=O)=N1 O30808 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [0,2,0,0,0,0|1,1,0]=4 746 B9R1.21 O=CC1=CC=C(CO)O1 P44673 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.22 CC1=C(CBr)OC(=O)O1 O30321 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.22 CCC1=NN(C)C=C1Br O33613 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.23 CCN1C=C(C)C(N)=N1 P49656 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.23 CCN1C=C(N)C(C)=N1 L21656 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.23 CCN1C=C(N)C(C)=N1 O31611 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.23 O=CC1=CC(Br)=C(Br)O1 N24849 [0,2,0,0,0,0|1,0,1]=4 753 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,2,0,0,0,0|0,1,1]=4 754 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.35 CC(C)C1=NC(Br)=CS1 M23841 [0,2,0,0,0,0|1,1,0]=4 756 B9R1.35 CC(C)C1=NC=C(Br)S1 O33541 [0,2,0,0,0,0|1,1,0]=4 757 B9R1.35 CC(C)C1=NOC(N)=C1 A-654 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.35 CC(C)N1C=C(Br)C=N1 Q66618 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.35 CC(C)N1C=C(N)C=N1 A-615 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.35 CC(C)N1C=C(O)C=N1 Q61946 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.35 CC(C)N1C=CC(N)=N1 L18259 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.35 CC(C)N1C=CC(O)=N1 O29759 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.35 CC(O)C1=CN(C)C=N1 C-3678 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.35 CC(O)C1=CSC(Cl)=C1 G-6181 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.35 CC(O)C1=NN(C)C=C1 Q62131 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,2,0,0,0,0|0,0,0]=2 767 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,2,0,0,0,0|1,0,1]=4 769 B9R1.35 CC1=CSC(C(C)N)=N1 O31672 [0,2,0,0,0,0|1,1,0]=4 770 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 I-9085 [0,2,0,0,0,0|0,1,0]=3 771 B9R1.132 CCN1N=CC(N)=C1C O31615 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,2,0,0,0,0|1,0,1]=4 773 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,2,0,0,0,0|1,0,1]=4 774 B9R1.11 NC(CO)C1=CC=CO1 P39130 [0,2,0,0,0,0|0,0,0]=2 775 B9R1.11 NC(CO)C1=CSC=C1 P42431 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.11 NCC(O)C1=CC=CO1 P39131 [0,2,0,0,0,0|0,0,0]=2 777 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [0,2,0,0,0,0|0,1,1]=4 778 B9R1.11 OC[C@@H](O)C1=CC=CO1 P51763 [0,2,0,0,0,0|0,0,0]=2 779 B9R1.19 CC(C)(C)C1=CNC=N1 O32569 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.19 CC(C)(C)C1=NC=CN1 C-2891 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.19 CC(C)(N)C1=NOC=C1 L19055 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.41 CC(=O)C1=C(Br)C=CS1 Q65588 [0,2,0,0,0,0|0,1,1]=4 783 B9R1.41 CC(C)C1=C(N)SC=N1 O29738 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.41 CC(C)C1=NNC=C1Br I-9105 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.41 CC(C)N1N=CC=C1O Q61835 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.12 BrCCCC1=CC=CS1 P38955 [0,2,0,0,0,0|0,1,0]=3 787 B9R1.12 BrCCCC1=CSC=C1 P42249 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.12 CCCCN1C=CC=N1 Q67596 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.12 CCNCC1=CC=CO1 P41212 [0,2,0,0,0,0|0,0,0]=2 790 B9R1.12 CNCCC1=CC=CS1 P42768 [0,2,0,0,0,0|0,1,0]=3 791 B9R1.12 CNCCN1C=CC=N1 P34875 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.12 ClCCCC1=NNC=C1 Q61805 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.12 NCCCC1=CC=CS1 P37165 [0,2,0,0,0,0|0,1,0]=3 794 B9R1.12 NCCCN1C=CC=N1 P36232 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.12 NNCCN1C=CC=N1 L20275 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.12 OCCCN1C=CC=C1 O31138 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.13 CC(C)CN1C=CC=N1 Q67249 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.13 CC(C)SC1=CN=CN1 O32082 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,2,0,0,0,0|0,1,1]=4 800 B9R1.33 CC1=C(CCN)SC=N1 P37210 [0,2,0,0,0,0|1,1,0]=4 801 B9R1.33 CN1N=CC=C1CCCl L19754 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.33 CNCC1=CC=NN1C O30361 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.14 CCN1N=CC=C1CO O30136 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.14 COC1=C(C=O)C=CS1 L14528 [0,2,0,0,0,0|1,1,0]=4 805 B9R1.14 CSC1=C(C=O)C=CS1 N25993 [0,2,0,0,0,0|1,1,0]=4 806 B7R1.3 O=C1C=COCC1 Q54629 [0,0,1,1,0,0|1,0,1]=4 807 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,1,1,0,0|0,0,2]=4 808 B9R2.2 C1=CC(C2CC2)=NN1 O31158 [0,1,0,1,0,0|2,0,0]=4 809 B9R2.2 C1=CN(C2CC2)N=C1 Q69932 [0,1,0,1,0,0|2,0,0]=4 810 B9R2.2 C1=CNC(C2CC2)=N1 C-2889 [0,1,0,1,0,0|2,0,0]=4 811 B9R2.2 C1=NC(C2CC2)=CN1 L13133 [0,1,0,1,0,0|2,0,0]=4 812 B9R2.3 C1=NC2=C(CNC2)N1 H-8846 [0,1,0,1,0,0|2,0,0]=4 813 B9R2.3 C1=NN2CCCC2=C1 Q52209 [0,1,0,1,0,0|2,0,0]=4 814 B9R2.3 C1=NNC2=C1CCC2 I-9358 [0,1,0,1,0,0|2,0,0]=4 815 B9R2.3 C1=NNC2=C1CNC2 A-712 [0,1,0,1,0,0|2,0,0]=4 816 B9R2.3 C1=NNC2=C1CNC2 A-733 [0,1,0,1,0,0|2,0,0]=4