0 B8R1.1 C=CC1=NC(Br)=CS1 DY785674 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 CC1=CC(CBr)=NO1 DY516921 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CCl)=NN1 DY586450 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC(CN)=NO1 DY504243 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=CC(CO)=NN1 NO17779 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=CC=C(C#N)N1 NO16878 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=CNC(C#N)=N1 NO17142 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CC1=CSC(CO)=N1 DY520509 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 CC1=NC(C=O)=CN1 DY584489 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=NC(C=O)=NO1 DY505473 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 CC1=NC(CBr)=NO1 DY582897 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 CC1=NC=C(CN)S1 DY564495 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NOC(CN)=N1 DY544515 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.1 CCC1=CN=C(Br)S1 DY786274 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CCC1=CN=C(N)S1 DY518967 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CCC1=CSC(N)=N1 DY544221 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 CCC1=NC=C(C)N1 DY580743 [0,0,0,0,0,0|1,0,1]=2 22 B8R1.1 CCC1=NN=C(O)S1 DY607629 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CCC1=NNC(N)=C1 DY647282 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 CCC1=NNC(N)=C1 NO18101 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CCC1=NNC(N)=N1 DY604472 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CCC1=NOC(N)=C1 DY773151 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CCC1=NOC(O)=N1 DY607371 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.1 CCN1C=C(Br)C=N1 DY453340 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CCN1C=C(N)C=N1 DY605243 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CCN1C=CC(I)=N1 DY645182 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 CC[N+]1=CN(C)C=C1 DY565521 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CN1C=CC(C#N)=N1 NO20751 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.1 CN1C=CC(CCl)=N1 DY646990 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 CN1C=NC(C=O)=N1 DY769773 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.1 CN1C=NC(CO)=C1 NO18049 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CN1C=NC(CO)=N1 NO14509 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.1 COC1=NC(N)=NS1 DY794733 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 CSC1=NC(N)=NS1 DY796761 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 ClCC1=CC=C(Cl)S1 NO17500 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 ClCC1=CSC(Cl)=N1 DY785104 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 NC1=NC(CCl)=CS1 NO18388 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 NCC1=CSC(Br)=N1 DY460992 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 NCC1=NC(Br)=CS1 DY567777 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.1 O=CC1=CC(Br)=CS1 NO22689 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.1 O=CC1=CC(I)=CS1 NO16582 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.1 O=CC1=NC(Br)=CS1 NO13190 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 OCC1=CSC(Br)=N1 NO15600 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 OCC1=CSC(Cl)=N1 DY785710 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 OCC1=NC(=S)NN1 DY541851 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.1 BrCC1=CSC=N1 DY583383 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 BrCC1=NC=CS1 NO12090 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 C#CC1=NC=CS1 DY506861 [1,0,0,0,0,0|0,0,2]=3 57 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,0,0|1,1,0]=3 65 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,0,0|2,1,0]=4 66 B7R1.1 ClCC1=CN=CS1 NO16156 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 ClCC1=CSC=N1 DY571191 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 ClCC1=CSC=N1 DY586637 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 ClCC1=NC=CN1 NO20896 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 ClCN1C=CC=N1 DY644922 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 N#CC1=CC=CS1 NO22701 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 N#CC1=NC=CS1 NO12219 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=CN=CS1 DY517137 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 NCC1=CNC=N1 NO15263 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 NCC1=CNC=N1 NO16828 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 NCC1=CSC=N1 DY116268 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 NCC1=NC=CO1 DY773829 [1,0,0,0,0,0|1,1,0]=3 80 B7R1.1 NCC1=NC=CS1 DY560307 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.1 NCC1=NN=CO1 DY103312 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.1 NCC1=NNC=C1 NO15493 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 NNC1=NC=CS1 DY785464 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=CC=CS1 NO16400 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 O=CC1=NC=CN1 NO15723 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 O=CC1=NC=CO1 DY565689 [1,0,0,0,0,0|1,1,1]=4 87 B7R1.1 OCC1=CN=CS1 NO16191 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 OCC1=CSC=N1 NO22892 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 OCC1=NC=NN1 DY116570 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCN1C=CC=N1 NO11902 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.2 BrC1=CSC(Br)=N1 NO13368 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.2 CC1=CC(Br)=CS1 NO22736 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.2 CC1=CC(C)=NN1 NO19982 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=CC(C)=NO1 NO14107 [1,0,0,0,0,0|2,1,0]=4 95 B7R1.2 CC1=CC(N)=CS1 DY786994 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 CC1=CC=C(Br)S1 NO22735 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 CC1=CC=C(C)N1 NO21153 [1,0,0,0,0,0|1,0,1]=3 99 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=CC=C(I)S1 DY530097 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1=CC=C(N)S1 DY787300 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 CC1=CC=C(N)S1 DY787384 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.2 CC1=CN(C)N=C1 NO20542 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=CN=C(Br)S1 NO12301 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.2 CC1=CN=C(C)S1 NO22782 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.2 CC1=CN=C(N)S1 NO21821 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 CC1=CNC(C)=N1 NO21117 [1,0,0,0,0,0|1,0,0]=2 109 B7R1.2 CC1=COC(C)=N1 DY568869 [1,0,0,0,0,0|0,1,0]=2 110 B7R1.2 CC1=CSC(Br)=N1 NO18300 [1,0,0,0,0,0|1,0,0]=2 111 B7R1.2 CC1=CSC(C)=N1 NO22781 [1,0,0,0,0,0|0,0,0]=1 112 B7R1.2 CC1=CSC(I)=N1 DY549783 [1,0,0,0,0,0|1,0,0]=2 113 B7R1.2 CC1=CSC(N)=N1 DY785716 [1,0,0,0,0,0|1,0,0]=2 114 B7R1.2 CC1=NC(Br)=CS1 DY547065 [1,0,0,0,0,0|1,0,0]=2 115 B7R1.2 CC1=NC(N)=CO1 DY773883 [1,0,0,0,0,0|1,1,0]=3 116 B7R1.2 CC1=NC=C(I)N1 NO19295 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.2 CC1=NC=C(N)N1 DY445566 [1,0,0,0,0,0|2,0,1]=4 118 B7R1.2 CC1=NC=C(N)S1 NO15937 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.2 CC1=NN=C(C)O1 NO15161 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.2 CC1=NOC(Br)=N1 DY582975 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.2 CC1=NSC(N)=C1 DY459756 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=NSC(N)=C1 NO16387 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.2 CN1C=CC(Br)=N1 NO20720 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CN1C=NC(Br)=N1 NO22130 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CN1N=CC(Br)=N1 NO17389 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.2 ClC1=CSC(Br)=N1 NO17180 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.2 ClC1=CSC(Cl)=N1 NO14318 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.2 ClC1=NSC(Cl)=N1 DY542481 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 IC1=COC(I)=N1 DY503553 [1,0,0,0,0,0|2,1,0]=4 130 B7R1.2 NC1=CSC(Cl)=C1 DY104600 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 NC1=CSC(N)=N1 NO14359 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.2 NC1=NC(=S)SS1 DY677477 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.2 NC1=NC(Br)=CS1 NO18333 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.7 CC1=NC(CCCl)=CS1 DY605062 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.7 CCCC1=CSC(N)=N1 NO13157 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.7 CCCN1C=CC(I)=N1 DY647313 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.7 CCSC1=NC(N)=NS1 DY791169 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.7 CNCC1=NC(C)=CN1 DY611361 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.7 COCC1=NNC(N)=N1 DY605261 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.7 COCC1=NSC(Cl)=N1 DY531501 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.7 NC1=NN(CCO)C=C1 NO16129 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.7 NCCC1=CSC(N)=N1 DY602437 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.21 CCC1=CSC(C=O)=N1 DY540045 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.21 CCC1=CSC(CN)=N1 DY602955 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.21 CCC1=NC=C(C=O)S1 NO15904 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.21 CCC1=NN=C(CCl)O1 DY586047 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.21 CCC1=NOC(CCl)=C1 DY565491 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.21 CCC1=NOC(CCl)=N1 DY557331 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.21 CCC1=NOC(CN)=N1 DY608618 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.21 COC1=CC(C=O)=CS1 DY571833 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.21 NCC1=CC=C(CO)O1 DY577929 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.21 OCC1=CC=C(CO)O1 NO10151 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.22 CC1=NC(CN)=C(C)O1 DY773133 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.22 CCN1N=C(C)C=C1N DY645188 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.22 CN1C=C(Br)C(CO)=N1 DY643809 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.22 CN1C=C(Cl)C(CO)=N1 DY643815 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.22 CN1C=C(F)C(CO)=N1 DY742501 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.23 CC1=CC(CN)=NN1C DY554259 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.23 CC1N=C(CN)OC1=O DY774165 [0,1,0,0,0,0|1,1,1]=4 161 B9R1.23 CCC1=NC(C)=C(Br)S1 DY785182 [0,1,0,0,0,0|0,0,0]=1 162 B9R1.23 CN1N=C(CO)C=C1Br DY429813 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.23 CNC1=NN(C)C(C)=C1 DY584329 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 CC(=O)C1=CC(Br)=CS1 NO20414 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.35 CC(=O)C1=CC(C)=NS1 DY106270 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.35 CC(=O)C1=CC(Cl)=CS1 NO21207 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.35 CC(=O)C1=CC=C(C)S1 NO20396 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.35 CC(=O)C1=CSC(C)=N1 DY542865 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.35 CC(=O)C1=NC(C)=CO1 NO16603 [0,1,0,0,0,0|0,1,1]=3 170 B9R1.35 CC(C)C1=NC=C(Br)N1 DY607323 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.35 CC(C)N1N=CC(N)=N1 DY608710 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 CC(N)C1=NN(C)C=N1 DY769977 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.35 CC1=NC(C(C)N)=CS1 DY548289 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.35 CC1=NOC(C(C)N)=N1 DY602809 [0,1,0,0,0,0|1,1,0]=3 175 B9R1.35 C[C@@H](O)C1=CC(Br)=CS1 DY786652 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,0,1,0,0,0|2,1,0]=4 177 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,1,0,0,0|2,1,0]=4 178 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.1 C#CC1=CN=C(C)C=C1 DY606273 [0,0,0,0,0,1|1,0,2]=4 180 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.1 CC1=CC=C(CN)N=N1 DY100078 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.1 CC1=CC=C(NN)N=N1 NO22373 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.1 CC1=CN=C(C#N)C=C1 NO13787 [0,0,0,0,0,1|2,0,1]=4 188 B9R1.1 CC1=CN=C(C#N)N=C1 DY443739 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.1 CC1=CN=C(C=O)C=C1 NO19088 [0,0,0,0,0,1|2,0,1]=4 190 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [0,0,0,0,0,1|2,0,1]=4 191 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.1 CC1=CN=C(CO)C=N1 NO12383 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.1 CC1=NC=C(C#N)C=C1 NO14144 [0,0,0,0,0,1|2,0,1]=4 195 B9R1.1 CC1=NC=C(C=O)C=C1 NO19116 [0,0,0,0,0,1|2,0,1]=4 196 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [0,0,0,0,0,1|2,0,0]=3 197 B9R1.1 CC1=NC=C(CO)C=N1 NO13969 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [0,0,0,0,0,1|1,0,0]=2 206 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [0,0,0,0,0,1|2,0,0]=3 209 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [0,0,0,0,0,1|2,0,0]=3 210 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [0,0,0,0,0,1|1,0,0]=2 212 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.1 CNC1=CC=C(Cl)N=N1 NO10696 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 COC1=CC=C(Br)N=N1 NO14617 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.1 COC1=CC=C(Cl)N=N1 NO17689 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 COC1=CC=C(N)N=N1 NO22091 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 COC1=CN=C(Br)C=N1 NO21377 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 COC1=CN=C(Cl)C=N1 NO14927 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.1 COC1=CN=C(N)C=N1 NO19706 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 COC1=NC=C(Br)C=N1 NO17652 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [0,0,0,0,0,1|2,0,0]=3 229 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 COC1=NC=C(Cl)C=N1 DY552357 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.1 COC1=NC=C(F)C=N1 DY694914 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 COC1=NC=C(N)C=N1 NO21652 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.1 CSC1=NC=C(Br)C=N1 NO18002 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 CSC1=NC=C(O)C=N1 NO12580 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 ClCC1=CC=C(Cl)N=N1 DY736472 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.1 NCC1=NC=C(F)C=N1 DY692319 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 OCC1=NC=C(Cl)N=C1 NO14569 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 OCC1=NC=C(F)C=N1 DY103703 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.2 CC1=CC(CCl)=NC=N1 DY694001 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.2 CC1=CC(CN)=CC=C1 NO19644 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.2 CC1=CC=CC(C#N)=N1 NO15464 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.2 CC1=NC(CN)=NC=C1 DY580845 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.2 CC1=NC(CN)=NC=C1 DY611424 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.2 CC1=NC=CC(C=O)=N1 NO19715 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [0,0,0,0,0,1|2,0,0]=3 275 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 CNC1=NC=CC(Br)=N1 NO14470 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.2 CNC1=NC=NC(C)=C1 DY695897 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 COC1=NC(Br)=NC=C1 NO12506 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.2 COC1=NC(C)=NC=C1 NO11919 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.2 COC1=NC(Cl)=NC=C1 NO21447 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.2 COC1=NC(I)=NC=C1 NO11917 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.2 COC1=NC=CC(N)=N1 NO10114 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.2 CSC1=NC(Cl)=NC=C1 NO19934 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 CSC1=NC=CC(Br)=N1 DY425588 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.2 CSC1=NC=CC(Cl)=N1 NO18332 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 CSC1=NC=CC(N)=N1 NO20913 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.2 CSC1=NC=CC(O)=N1 NO12612 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.2 FC1=CC=CC(CBr)=N1 DY500445 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.2 NC1=CC=CC(CO)=N1 NO16612 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.2 NC1=NC=CC(CF)=N1 DY430731 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.2 OCC1=NC(Br)=CC=C1 NO23004 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.2 OCC1=NC(Cl)=CN=C1 NO16124 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.2 OCC1=NC(Cl)=NC=C1 DY550299 [0,0,0,0,0,1|3,0,0]=4 317 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,1,0,0,0|1,0,0]=3 318 B6R1.2 BrC1=CC=CS1 NO21414 [2,0,0,0,0,0|2,0,0]=4 319 B6R1.2 BrC1=CNC=N1 NO14270 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 BrC1=CSC=C1 NO21415 [2,0,0,0,0,0|2,0,0]=4 321 B6R1.2 BrC1=CSC=N1 DY20197 [2,0,0,0,0,0|1,0,0]=3 322 B6R1.2 BrC1=NC=CN1 NO19858 [2,0,0,0,0,0|2,0,0]=4 323 B6R1.2 BrC1=NC=CS1 NO14242 [2,0,0,0,0,0|1,0,0]=3 324 B6R1.2 BrC1=NC=NS1 NO14599 [2,0,0,0,0,0|2,0,0]=4 325 B6R1.2 BrC1=NN=CS1 NO21329 [2,0,0,0,0,0|2,0,0]=4 326 B6R1.2 BrC1=NSC=N1 DY586016 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.2 CC1=CC=CN1 NO21660 [2,0,0,0,0,0|1,0,1]=4 328 B6R1.2 CC1=CC=CS1 NO21701 [2,0,0,0,0,0|1,0,0]=3 329 B6R1.2 CC1=CN=CS1 NO10460 [2,0,0,0,0,0|2,0,0]=4 330 B6R1.2 CC1=CNC=C1 DY20689 [2,0,0,0,0,0|2,0,0]=4 331 B6R1.2 CC1=CNC=N1 DY20397 [2,0,0,0,0,0|1,0,0]=3 332 B6R1.2 CC1=CNN=N1 NO12910 [2,0,0,0,0,0|2,0,0]=4 333 B6R1.2 CC1=CSC=N1 NO15621 [2,0,0,0,0,0|0,0,0]=2 334 B6R1.2 CC1=NC=CN1 DY562149 [2,0,0,0,0,0|1,0,0]=3 335 B6R1.2 CC1=NC=CN1 DY567567 [2,0,0,0,0,0|1,0,0]=3 336 B6R1.2 CC1=NC=CS1 NO22598 [2,0,0,0,0,0|0,0,0]=2 337 B6R1.2 CC1=NN=CO1 NO12863 [2,0,0,0,0,0|1,1,0]=4 338 B6R1.2 CC1=NNC=C1 NO13720 [2,0,0,0,0,0|2,0,0]=4 339 B6R1.2 CC1=NNC=N1 NO22353 [2,0,0,0,0,0|2,0,0]=4 340 B6R1.2 CC1=NOC=C1 NO11533 [2,0,0,0,0,0|2,0,0]=4 341 B6R1.2 CN1C=CC=N1 NO19419 [2,0,0,0,0,0|2,0,0]=4 342 B6R1.2 CN1C=NC=N1 NO20744 [2,0,0,0,0,0|2,0,0]=4 343 B6R1.2 ClC1=CSC=N1 NO14317 [2,0,0,0,0,0|1,0,0]=3 344 B6R1.2 ClC1=NC=NS1 NO13994 [2,0,0,0,0,0|2,0,0]=4 345 B6R1.2 ClC1=NN=CS1 DY558585 [2,0,0,0,0,0|2,0,0]=4 346 B6R1.2 IC1=CC=CS1 NO21616 [2,0,0,0,0,0|2,0,0]=4 347 B6R1.2 IC1=CNC=N1 NO14306 [2,0,0,0,0,0|2,0,0]=4 348 B6R1.2 IC1=CSC=C1 NO22332 [2,0,0,0,0,0|2,0,0]=4 349 B6R1.2 IC1=NC=CN1 NO21881 [2,0,0,0,0,0|2,0,0]=4 350 B6R1.2 NC1=CNC=N1 DY506688 [2,0,0,0,0,0|2,0,0]=4 351 B6R1.2 NC1=CNC=N1 NO16117 [2,0,0,0,0,0|2,0,0]=4 352 B6R1.2 NC1=COC=N1 DY121309 [2,0,0,0,0,0|1,1,0]=4 353 B6R1.2 NC1=CSC=C1 NO12280 [2,0,0,0,0,0|2,0,0]=4 354 B6R1.2 NC1=NC=CN1 NO13716 [2,0,0,0,0,0|2,0,0]=4 355 B6R1.2 NC1=NC=CO1 NO19070 [2,0,0,0,0,0|1,1,0]=4 356 B6R1.2 NC1=NC=CS1 NO16381 [2,0,0,0,0,0|1,0,0]=3 357 B6R1.2 NC1=NC=NS1 NO13953 [2,0,0,0,0,0|2,0,0]=4 358 B6R1.2 NC1=NC=NS1 NO15183 [2,0,0,0,0,0|2,0,0]=4 359 B6R1.2 NC1=NN=CS1 NO22505 [2,0,0,0,0,0|2,0,0]=4 360 B6R1.2 OC1=NC=CS1 NO12100 [2,0,0,0,0,0|1,0,0]=3 361 B6R1.2 OC1=NN=CS1 DY607647 [2,0,0,0,0,0|2,0,0]=4 362 B6R1.2 SC1=NC=CS1 DY573237 [2,0,0,0,0,0|1,0,0]=3 363 B6R1.2 SC1=NN=CS1 DY20533 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [1,1,0,0,0,0|0,1,1]=4 366 B8R1.7 CC(=O)C1=NC=CS1 NO22755 [1,1,0,0,0,0|0,0,1]=3 367 B8R1.7 CC(C)C1=CN=CS1 DY785650 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.7 CC(C)C1=NC=CN1 NO21624 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.7 CC(N)C1=CC=CN1 DY717705 [1,1,0,0,0,0|1,0,1]=4 370 B8R1.7 CC(N)C1=CC=CS1 DY585951 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.7 CC(N)C1=NC=CS1 DY446644 [1,1,0,0,0,0|0,0,0]=2 372 B8R1.7 CC(N)C1=NC=CS1 DY608600 [1,1,0,0,0,0|0,0,0]=2 373 B8R1.7 CC(O)C1=CN=CS1 DY116219 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.7 CC(O)C1=CNC=N1 DY563913 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [1,1,0,0,0,0|1,1,0]=4 376 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.7 N=C(N)C1=NC=CS1 NO15638 [1,1,0,0,0,0|1,0,1]=4 378 B8R1.7 NC(=S)C1=NC=CS1 DY796833 [1,1,0,0,0,0|1,0,1]=4 379 B8R1.7 O=C(O)C1=NC=CS1 DY425486 [1,1,0,0,0,0|1,0,1]=4 380 B8R1.8 CCCC1=NC=CN1 NO14621 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.8 CCCC1=NN=CO1 DY772845 [1,1,0,0,0,0|1,1,0]=4 382 B8R1.8 CSCC1=CC=CO1 DY523785 [1,1,0,0,0,0|1,1,0]=4 383 B8R1.8 N#CCC1=CC=CS1 NO22998 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.8 NCCC1=CC=CN1 DY717219 [1,1,0,0,0,0|1,0,1]=4 385 B8R1.8 NCCC1=CN=CS1 DY785962 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.8 NCCC1=CNC=N1 DY557493 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.8 NCCC1=CNC=N1 NO18264 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.8 NCCC1=NC=CN1 DY725263 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.8 NCCN1C=CC=N1 DY501807 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.8 NNCC1=CC=CS1 DY607641 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.8 O=CCC1=CC=CS1 NO17423 [1,1,0,0,0,0|1,0,1]=4 392 B8R1.8 OCCC1=CC=CS1 NO14939 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.8 OCCC1=CNC=N1 NO18186 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.8 OCCC1=NC=CS1 DY578205 [1,1,0,0,0,0|0,0,0]=2 395 B8R1.11 CC1=C(CN)SC=C1 DY609391 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.11 CCC1=NNC=C1Br DY607581 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.11 CCC1=NNC=C1C DY647288 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.11 CCN1N=CC=C1I DY645242 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.11 CN1C=CN=C1CBr DY725449 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.11 CN1C=CN=C1CCl DY726283 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.11 CN1C=CN=C1CO NO13833 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.11 CNC1=NC=CN1C DY725947 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.11 OCC1=C(Cl)C=CS1 DY536271 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.18 CC1=C(Br)NC(Br)=N1 NO19876 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.18 CC1=C(Br)SC(N)=N1 NO15953 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.18 CC1=C(Br)SC(N)=N1 NO21269 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.18 CC1=C(C)SC(Br)=N1 NO13229 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.18 CC1=C(C)SC(N)=N1 NO21234 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.18 CC1=C(Cl)N=C(Cl)S1 NO16846 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.18 CC1=C(Cl)SC(Cl)=C1 NO17499 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.18 CC1=C(F)SC(N)=N1 DY582105 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.18 CC1=C(I)NC(I)=N1 NO19843 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.18 CC1=CC(C)=NN1C NO19810 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.18 CC1=NC(Br)=C(C)N1 DY606020 [1,1,0,0,0,0|1,0,1]=4 416 B8R1.18 CC1=NC(Br)=CN1C DY107044 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.18 CC1=NC(C)=C(C)O1 DY773169 [1,1,0,0,0,0|0,1,0]=3 418 B8R1.18 CC1=NC(N)=CN1C DY741679 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.18 CC1=NN(C)C=C1I DY431130 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.18 CC1=NN(C)C=C1N DY608740 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.50 CC1=CNC(C)=C1C NO16478 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.50 CC1=CSC(C)=C1Br NO16729 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.1 CC1=CN=C(CCCl)C=N1 DY585863 [0,1,0,0,0,1|1,0,0]=3 426 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,1,0,0,0,1|1,0,0]=3 427 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.1 CCOC1=CC=C(Cl)N=N1 DY450328 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.1 CCOC1=CC=C(N)N=N1 NO10700 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.1 CNCC1=CN=C(C)N=C1 NO15645 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.1 COCC1=NC=C(O)C=N1 DY693100 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.3 CCC1=CC=C(CC)C=C1 DY822052 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.3 CCC1=CC=C(CO)C=C1 DY450460 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.3 COC1=CC=C(CN)C=N1 DY103395 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.3 COC1=CC=C(CO)C=N1 NO15243 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.3 COC1=CN=C(CCl)C=C1 NO12684 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.3 COC1=CN=C(CO)C=N1 DY569169 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.3 COC1=CN=C(OC)C=C1 DY452356 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.3 COC1=NC=C(CBr)C=C1 DY712957 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.3 COC1=NC=C(CBr)C=C1 NO17111 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.3 COC1=NC=C(CCl)C=C1 NO16575 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.3 COC1=NC=C(CN)C=N1 NO16815 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.13 CC(=O)C1=CC=C(C)N=N1 DY112296 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.13 CC(=O)C1=CN=C(C)C=C1 DY428167 [0,1,0,0,0,1|1,0,1]=4 456 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 NO15951 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.13 CC(C)C1=CC=C(N)C=N1 NO22406 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.13 CC(C)C1=CC=C(N)N=N1 DY736754 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.13 CC(C)C1=CN=C(N)C=C1 NO21752 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.13 CC(C)C1=NC=C(N)C=N1 DY586310 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.13 CC(O)C1=NC=C(Br)C=C1 DY446891 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [0,1,0,0,0,1|1,0,0]=3 463 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [0,1,0,0,0,1|1,0,0]=3 465 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [0,1,0,0,0,1|1,0,0]=3 466 B10R1.13 C[C@@H](N)C1=NC=C(Br)C=C1 DY621591 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 DY651938 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 NO16980 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.25 CC1=CC=C(CBr)C(Cl)=N1 DY585656 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.25 CC1=CN=C(CCl)C(C)=C1 NO16524 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.25 CCC1=CN=C(C)C=C1N DY660014 [0,1,0,0,0,1|1,0,0]=3 473 B10R1.25 CCC1=CN=C(C)C=C1N DY711175 [0,1,0,0,0,1|1,0,0]=3 474 B10R1.25 CCc1ncc(C)nc1C DY793773 [0,1,0,0,0,1|1,0,0]=3 475 B10R1.25 CNC1=NC=C(C)C=C1Br DY716366 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.25 COC1=CC=C(C)N=C1I DY527061 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.25 COC1=CN=C(C)C=C1Br DY431792 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.25 COC1=NC=C(C)C=C1Br NO12715 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.25 COC1=NC=C(C)N=C1C NO15176 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.176 CC1=C(C)N=C(CN)C=C1 DY651451 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.176 CCC1=CN=C(C)C(C)=N1 NO21048 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 NO16643 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.2 CCC1=C(O)C(C)=CC=C1 DY584282 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.8 CC1=CC(C)=NC(CCl)=N1 NO14603 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.8 CC1=CC(CCl)=NC(C)=C1 NO17890 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.8 CCC1=CC(Cl)=NC(Cl)=N1 DY692644 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 NO22775 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.8 CCC1=NC(=O)C=C(O)N1 NO22424 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 NO17845 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 NO19692 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.8 CCC1=NC(Cl)=NC(C)=C1 DY693334 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.8 CNC1=CC(=O)NC(C)=N1 DY693580 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.8 COC1=CC(Cl)=NC(C)=N1 NO12795 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.8 COC1=NC(C)=CC(Br)=C1 DY711373 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.8 COC1=NC(C)=CC(Cl)=C1 DY658371 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.10 CCSC1=NC(Cl)=NC=C1 DY514233 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.10 COCC1=NC(Cl)=NC=C1 DY516411 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.30 COC1=NC(C)=CC=C1Br NO19284 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.113 CC(=O)C1=NC(C)=CC=C1 NO18426 [0,1,0,0,0,1|1,0,1]=4 509 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 DY454324 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.113 CC(O)C1=NC(Br)=CC=C1 NO14015 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY561633 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY605899 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 NO17345 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.113 CC1=CC=CC([C@@H](C)N)=N1 DY511947 [0,1,0,0,0,1|1,0,0]=3 515 B10R1.113 CC1=NC(C(F)F)=CC=C1 DY503073 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.113 CC1=NC=CC(C(C)N)=C1 DY110560 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 DY716816 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.172 CCC1=NC(CC)=NC=C1 DY692656 [0,1,0,0,0,1|1,0,0]=3 519 B10R1.172 COC1=CC=CC(CCl)=N1 NO16831 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.172 COC1=NC(OC)=NC=C1 NO19530 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.172 COC1=NC(OC)=N[C-]=C1 DY738068 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.172 COC1=NC=CC(CO)=N1 DY103739 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.172 CSC1=NC=CC(CCl)=N1 DY693995 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.172 ClCC1=CC=CC(CCl)=N1 DY10384 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.172 NCC1=CC=CC(CN)=N1 DY550317 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.172 OCC1=CC=CC(CO)=N1 DY10441 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.172 OCC1=CC=CC(CO)=N1 DY663941 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 DY555831 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 NO16467 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.14 COC(=O)C1=NC(C)=CS1 NO11649 [0,2,0,0,0,0|0,0,1]=3 531 B10R1.16 CC1=NN(CCCN)C=C1 DY646735 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 DY102205 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.94 CC1=C(CCO)SC=[N+]1C DY785908 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.96 CCCC1=NC(CN)=CS1 DY604737 [0,2,0,0,0,0|0,0,0]=2 535 B10R1.130 CCCN1N=C(C)C=C1N DY603177 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.131 CC1=C(Cl)SC(CCN)=N1 DY602431 [0,2,0,0,0,0|0,0,0]=2 537 B10R1.31 CC(C)C1=NC(C=O)=CS1 DY517959 [0,2,0,0,0,0|0,0,1]=3 538 B10R1.31 CC(C)C1=NC(CCl)=NO1 DY603009 [0,2,0,0,0,0|1,1,0]=4 539 B10R1.31 CC(C)C1=NC(CO)=CO1 DY606795 [0,2,0,0,0,0|0,1,0]=3 540 B10R1.31 CC(C)C1=NOC(CN)=N1 DY601459 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.31 CN(C)C1=NC(CN)=CS1 DY602797 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.35 CCC1=NC(C)=C(CO)S1 DY605074 [0,2,0,0,0,0|0,0,0]=2 543 B10R1.35 CCN1C=C(C=O)C(C)=N1 DY601899 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.32 CCC1=C(CO)SC(C)=N1 DY605869 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.32 CCN1N=C(C)C=C1CO DY586105 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.34 CC1=C(C)N(C)C(CN)=N1 DY603778 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 NO16987 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.58 CC1=C(C)SC(C(C)C)=N1 DY785818 [0,2,0,0,0,0|0,0,0]=2 549 B10R1.58 CC1=C(C)SC(C(C)N)=N1 DY606159 [0,2,0,0,0,0|0,0,0]=2 550 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [0,0,1,1,0,0|1,0,1]=4 551 B10R2.14 BrC1=CSC(C2CC2)=N1 DY757591 [0,1,0,1,0,0|1,0,0]=3 552 B10R2.14 CC1=NC(C2CC2)=CS1 DY758149 [0,1,0,1,0,0|2,0,0]=4