0 B7R1.4 BrC1=C(Br)NN=N1 CS22492 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 BrC1=C(Br)SC=C1 CS22551 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 BrC1=C(Br)SC=N1 MC442188 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 BrC1=C(I)C=CS1 MC113889 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 BrC1=C(I)SC=C1 MC431562 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 BrC1=NNN=C1Br CS17218 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CC1=C(Br)C=NN1 CS16927 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 CC1=C(Br)NN=N1 MC114929 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.4 CC1=C(C)NC=N1 MC20435 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.4 CC1=C(C)SC=N1 CS22784 [0,0,0,0,0,0|0,0,0]=0 11 B7R1.4 CC1=CC=NN1C CS19266 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.4 CC1=CNN=C1C CS13346 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.4 CC1=CSC=C1Br MC441134 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 CC1=CSC=C1N MC427269 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.4 CC1=NNC=C1Br CS15947 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=NNC=C1I CS22358 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1=NOC=C1N CS17073 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CC1=NSC=C1Br MC100263 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CN1C=CN=C1Br MC428146 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CN1C=CN=C1I CS21609 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.4 CN1C=NN=C1N CS16957 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CN1N=CC=C1Br CS12124 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CN1N=CC=C1N CS22609 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 CN1N=CC=C1O CS10399 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 CN1N=CN=C1N MC443221 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.4 CN1N=NC=C1I MC442290 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 ClC1=C(Br)C=CS1 CS22555 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.4 ClC1=C(Br)SC=C1 MC442573 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.4 IC1=C(I)NC=N1 MC443844 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.4 NC1=CNN=C1Cl MC33007 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 NC1=CNN=C1Cl MC41659 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 NC1=NOC=C1Br CS17964 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.4 NC1=NON=C1N CS21924 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,0,0|2,1,0]=4 37 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 BrC1=CN=CO1 MC105695 [1,0,0,0,0,0|1,1,0]=3 39 B6R1.2 BrC1=CN=CS1 CS14114 [1,0,0,0,0,0|1,0,0]=2 40 B6R1.2 BrC1=CNC=N1 CS14270 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 BrC1=CNN=C1 CS13922 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,0,0|2,1,0]=4 43 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 BrC1=CSC=N1 MC20197 [1,0,0,0,0,0|1,0,0]=2 45 B6R1.2 BrC1=NC=CN1 CS19858 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 BrC1=NC=CO1 MC104314 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 BrC1=NC=CS1 CS14242 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 BrC1=NC=NS1 CS14599 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 BrC1=NN=CN1 CS18124 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 BrC1=NN=CS1 CS21329 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 BrC1=NNC=N1 CS22126 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,0,0|1,0,1]=3 56 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,0,0|1,1,0]=3 57 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,0,0|1,0,0]=2 58 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,0,0|0,0,0]=1 60 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,0,0|1,0,1]=3 61 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,0,0|1,0,0]=2 62 B6R1.2 CC1=CNN=C1 CS22982 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=CNN=N1 CS12910 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,0,0|0,1,0]=2 65 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,0,0|0,0,0]=1 66 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,0,0|1,0,2]=4 69 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,0,0|1,1,0]=3 70 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CC1=NNC=N1 CS22353 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 CN1C=CN=C1 CS19753 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 CN1C=CN=N1 CS20743 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 CN1C=NC=N1 CS20744 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 CN1C=NN=C1 MC20987 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 CN1C=NN=N1 MC445043 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 ClC1=CN=CN1 CS10347 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 ClC1=CNN=C1 CS18764 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 ClC1=CSC=N1 CS14317 [1,0,0,0,0,0|1,0,0]=2 84 B6R1.2 ClC1=NC=CO1 MC106420 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 ClC1=NC=NS1 CS13994 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 ClC1=NN=CN1 CS18465 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 ClC1=NNC=N1 CS13947 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 FC1=CN=CN1 MC429981 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 FC1=NC=CN1 MC430938 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 FC1=NC=CN1 MC431135 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,0,0|2,0,0]=3 94 B6R1.2 IC1=CN=CS1 MC441132 [1,0,0,0,0,0|1,0,0]=2 95 B6R1.2 IC1=CNC=N1 CS14306 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 IC1=CNN=C1 CS14308 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 IC1=NC=CN1 CS21881 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 IC1=NC=CO1 MC103755 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 NC1=CN=NS1 CS13955 [1,0,0,0,0,0|2,0,0]=3 103 B6R1.2 NC1=CNC=N1 CS16117 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 NC1=CNN=C1 CS18307 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 NC1=CNN=N1 MC116513 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 NC1=COC=N1 MC121309 [1,0,0,0,0,0|1,1,0]=3 107 B6R1.2 NC1=CON=C1 CS15739 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 NC1=CSC=N1 MC106910 [1,0,0,0,0,0|1,0,0]=2 110 B6R1.2 NC1=CSC=N1 MC121317 [1,0,0,0,0,0|1,0,0]=2 111 B6R1.2 NC1=NC=CN1 CS13716 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 NC1=NC=CN1 CS16946 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 NC1=NC=CO1 CS19070 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 NC1=NC=CS1 CS16381 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 NC1=NC=NN1 CS15608 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 NC1=NC=NS1 CS13953 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 NC1=NC=NS1 CS15183 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 NC1=NN=CS1 CS22505 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 NC1=NNC=N1 CS22032 [1,0,0,0,0,0|3,0,0]=4 121 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,0,0|3,0,0]=4 122 B6R1.2 NN1C=CC=N1 MC105737 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 O=C1CC=NN1 CS20496 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 OC1=CNN=C1 MC41691 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 OC1=NC=CS1 CS12100 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 ON1C=CC=N1 CS12818 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 SC1=NN=CS1 MC20533 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.11 Br[Zn]c1sccc1Br MC121354 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.11 CC1=C(CO)NC=N1 CS14250 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.11 CC1=NNC=C1C=O CS22355 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.11 CC1=NSC=C1C#N MC116152 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.11 CCC1=CNN=C1N CS14342 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.11 CCC1=NNC=C1I MC106505 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.11 CN1C=CN=C1C#N MC113032 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.11 CN1C=CN=C1C=O CS17882 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.11 CN1C=CN=C1CO CS13833 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.11 CN1C=NN=C1CO CS15203 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 CN1N=CC=C1C=O CS18205 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.11 CN1N=CN=C1C=O MC106469 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.11 CN1N=NC=C1CO MC107581 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.11 ClC1=C(CBr)C=CS1 CS14290 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.11 N#CC1=C(Br)C=CS1 CS22192 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.11 N#CC1=C(Cl)C=CS1 MC442674 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.11 N#CC1=C(N)N=CN1 CS22450 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [0,1,0,0,0,0|1,0,1]=3 154 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.11 OCC1=C(Br)N=CS1 CS12138 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.11 OCC1=C(Br)SC=C1 MC442201 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.11 OCC1=C(F)C=CS1 MC429391 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.18 BrC1=CC(Br)=C(Br)S1 MC41711 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.18 BrC1=NC(Br)=C(Br)N1 CS22531 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.18 BrC1=NC(Br)=C(Br)S1 MC442187 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.18 CC1=C(Br)N=C(Br)S1 MC442181 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.18 CC1=C(Br)NC(Br)=N1 CS19876 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.18 CC1=C(Br)SC(N)=N1 CS15953 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.18 CC1=C(Br)SC(N)=N1 CS21269 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [0,1,0,0,0,0|0,0,0]=1 170 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [0,1,0,0,0,0|0,0,0]=1 171 B8R1.18 CC1=C(Cl)N=C(Cl)S1 CS16846 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.18 CC1=C(I)NC(I)=N1 CS19843 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.18 CC1=NC(Br)=CN1C MC107044 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.18 CC1=NN(C)C=C1I MC431130 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.18 CN1N=C(Br)C=C1N CS14912 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.18 CN1N=C(Br)N=C1Br CS16395 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.18 CN1N=C(Cl)C=C1N MC105283 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.18 ClC1=C(Cl)NC(Br)=N1 MC425712 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.18 ClC1=C(Cl)SC(Br)=C1 CS16855 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.50 CC1=C(Br)N=NN1C CS12924 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.50 CC1=C(C)C(N)=NN1 CS22497 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [0,1,0,0,0,0|2,1,0]=4 189 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,0,0,0|1,0,1]=3 190 B8R1.50 CC1=CSC(C)=C1Br CS16729 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.50 CC1=NC=C(Br)N1C MC425507 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.50 CC1=NNC(C)=C1Br CS18052 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.50 CC1=NNC(C)=C1I CS18086 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.50 CN1C=NC(Br)=C1Br MC429912 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.50 CN1N=CC(Br)=C1N CS16215 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.50 CN1N=CC(F)=C1Cl MC430174 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.4 BrC1=CC(Br)=NC=C1 CS15110 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 BrC1=CC(Br)=NC=N1 CS22500 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 BrC1=NC(Br)=NC=C1 CS10554 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 BrC1=NC=CC(I)=C1 CS17279 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,0,0,0,0,1|2,0,0]=3 204 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,0,0,0,0,1|2,0,0]=3 205 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,0,0,0,0,1|1,0,0]=2 206 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,0,0,0,0,1|2,0,0]=3 240 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,0,0,0,0,1|2,0,0]=3 244 B8R1.4 ClC1=CC(Br)=NC=C1 CS13973 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.4 ClC1=CC(Br)=NC=N1 MC442087 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.4 ClC1=CC(Cl)=NC=C1 CS17291 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.4 ClC1=CC(Cl)=NC=N1 CS21954 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.4 ClC1=CC(I)=NC=C1 CS15413 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 ClC1=NC(Cl)=NC=C1 CS22557 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.4 ClC1=NC=CC(Br)=C1 CS21986 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.4 ClC1=NC=CC(Br)=N1 MC21047 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.4 ClC1=NC=CC(I)=C1 CS22695 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.4 ClC1=NC=NC(Cl)=N1 CS18930 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.4 ClC1=NC=NC(I)=C1 MC442088 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.4 FC1=CC(Br)=NC=C1 CS14190 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.4 FC1=CC(Cl)=NC=C1 CS17300 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.4 FC1=CC(F)=NC=C1 CS19909 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.4 FC1=CC(F)=NC=N1 MC41646 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 FC1=NC(Cl)=NC=C1 MC429933 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 FC1=NC(F)=NC=C1 MC429251 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.4 FC1=NC=CC(Br)=C1 CS17277 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.4 FC1=NC=CC(Cl)=C1 CS14178 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.4 FC1=NC=CC(I)=C1 CS13375 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 NC1=CC(Br)=NC=C1 CS21962 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.4 NC1=CC(Br)=NC=C1 MC425916 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.4 NC1=CC(Cl)=NC=C1 CS21964 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 NC1=CC(F)=NC=C1 CS13865 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 NC1=CC(N)=NC=C1 CS11909 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 NC1=CC(N)=NC=N1 MC425881 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.4 NC1=NC(=O)NC=N1 CS22023 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.4 NC1=NC(Br)=NC=C1 MC442843 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.4 NC1=NC(Cl)=NC=C1 CS22581 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.4 NC1=NC(N)=NC=C1 CS22603 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 NC1=NC=CC(Br)=C1 CS16114 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 NC1=NC=CC(Br)=N1 MC442842 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 NC1=NC=CC(Cl)=C1 CS17669 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 NC1=NC=CC(Cl)=N1 CS15619 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.4 NC1=NC=CC(F)=C1 CS21251 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.4 NC1=NC=CC(F)=N1 MC104377 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.4 NC1=NC=CC(I)=C1 MC425094 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.4 NC1=NC=CC(I)=N1 CS12109 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.4 NC1=NC=NC(Br)=C1 CS12354 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.4 NC1=NC=NC(Cl)=C1 CS15652 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.4 NC1=NC=NC(I)=C1 CS12484 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.4 NC1=NC=NC(O)=C1 CS22588 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.4 O=C1N=CNC(=O)N1 MC111110 [0,0,0,0,0,1|3,0,0]=4 292 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.4 OC1=CC(O)=NC=N1 CS15744 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.4 OC1=NC=NC(Br)=C1 CS14406 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.4 OC1=NC=NC(Cl)=C1 CS22568 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.5 BrC1=C(Br)C=NC=C1 CS13628 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.5 BrC1=CC=CN=C1Br CS22670 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.5 BrC1=NC=CC=C1I MC110926 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.5 BrC1=NC=CN=C1Br CS12573 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.5 CC1=C(Br)C=CN=C1 CS13416 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.5 CC1=C(Br)C=NC=C1 CS21916 [0,0,0,0,0,1|2,0,0]=3 308 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.5 CC1=C(Cl)C=CN=C1 CS18038 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.5 CC1=C(Cl)C=NC=C1 CS15751 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.5 CC1=C(Cl)N=NC=C1 MC444260 [0,0,0,0,0,1|2,0,0]=3 312 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.5 CC1=C(F)C=CN=C1 MC433051 [0,0,0,0,0,1|2,0,0]=3 314 B8R1.5 CC1=C(F)C=NC=C1 CS19332 [0,0,0,0,0,1|2,0,0]=3 315 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [0,0,0,0,0,1|2,0,0]=3 319 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [0,0,0,0,0,1|2,0,0]=3 320 B8R1.5 CC1=CC=CC=C1C MC41549 [0,0,0,0,0,1|2,0,0]=3 321 B8R1.5 CC1=CC=CC=C1N CS20592 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.5 CC1=CC=CC=C1O CS11813 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.5 CC1=CC=CN=C1Br CS23002 [0,0,0,0,0,1|2,0,0]=3 324 B8R1.5 CC1=CC=CN=C1C CS21050 [0,0,0,0,0,1|1,0,0]=2 325 B8R1.5 CC1=CC=CN=C1Cl CS13857 [0,0,0,0,0,1|2,0,0]=3 326 B8R1.5 CC1=CC=CN=C1F CS19328 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.5 CC1=CC=CN=C1N CS13775 [0,0,0,0,0,1|2,0,0]=3 328 B8R1.5 CC1=CC=CN=C1O CS19498 [0,0,0,0,0,1|2,0,0]=3 329 B8R1.5 CC1=CN=CN=C1Br CS12572 [0,0,0,0,0,1|2,0,0]=3 330 B8R1.5 CC1=CN=CN=C1Cl CS19938 [0,0,0,0,0,1|2,0,0]=3 331 B8R1.5 CC1=CN=CN=C1N CS12501 [0,0,0,0,0,1|2,0,0]=3 332 B8R1.5 CC1=CN=CN=C1O CS10459 [0,0,0,0,0,1|2,0,0]=3 333 B8R1.5 CC1=NC=CC=C1Br MC20012 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.5 CC1=NC=CC=C1Cl MC425470 [0,0,0,0,0,1|2,0,0]=3 335 B8R1.5 CC1=NC=CC=C1F CS19850 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.5 CC1=NC=CC=C1N CS19518 [0,0,0,0,0,1|2,0,0]=3 337 B8R1.5 CC1=NC=CC=C1O MC20374 [0,0,0,0,0,1|2,0,0]=3 338 B8R1.5 CC1=NC=CN=C1Br CS12416 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.5 CC1=NC=CN=C1C CS10108 [0,0,0,0,0,1|1,0,0]=2 340 B8R1.5 CC1=NC=CN=C1Cl CS17680 [0,0,0,0,0,1|2,0,0]=3 341 B8R1.5 CC1=NC=CN=C1N CS21232 [0,0,0,0,0,1|2,0,0]=3 342 B8R1.5 CC1=NC=CN=C1O CS21577 [0,0,0,0,0,1|2,0,0]=3 343 B8R1.5 CC1=NC=NC=C1Br CS11920 [0,0,0,0,0,1|2,0,0]=3 344 B8R1.5 CC1=NC=NC=C1I CS12766 [0,0,0,0,0,1|2,0,0]=3 345 B8R1.5 CC1=NC=NC=C1N CS19908 [0,0,0,0,0,1|2,0,0]=3 346 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,0,0,1|2,0,1]=4 347 B8R1.5 ClC1=C(Br)C=CN=C1 CS15809 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.5 ClC1=C(Cl)C=NC=C1 CS14992 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.5 ClC1=C(Cl)N=NC=C1 MC102217 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.5 ClC1=C(I)C=CN=C1 CS17639 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.5 ClC1=C(I)C=CN=C1 CS19993 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.5 ClC1=C(I)C=NC=C1 CS17640 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.5 ClC1=CC=CN=C1Br CS17272 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.5 ClC1=CC=CN=C1Cl CS13373 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.5 ClC1=NC=CC=C1Br CS22671 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.5 ClC1=NC=CC=C1I CS22694 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.5 ClC1=NC=NC=C1Br CS22769 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.5 ClC1=NC=NC=C1I CS19722 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.5 FC1=C(Br)C=CN=C1 MC429590 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.5 FC1=C(Br)C=NC=C1 CS13534 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.5 FC1=C(Cl)C=CN=C1 MC429592 [0,0,0,0,0,1|3,0,0]=4 362 B8R1.5 FC1=C(F)C=NC=C1 MC431362 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.5 FC1=C(I)C=CN=C1 CS18172 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.5 FC1=CC=CN=C1Br CS14296 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.5 FC1=CC=CN=C1Cl CS17308 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.5 FC1=CC=CN=C1F CS18753 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.5 FC1=CN=CN=C1Cl CS11918 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.5 FC1=NC=CC=C1Br CS14198 [0,0,0,0,0,1|3,0,0]=4 369 B8R1.5 FC1=NC=CC=C1Cl CS18743 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.5 FC1=NC=CC=C1I CS21866 [0,0,0,0,0,1|3,0,0]=4 371 B8R1.5 NC1=C(Br)C=CN=C1 CS13987 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.5 NC1=C(Br)C=NC=C1 CS21968 [0,0,0,0,0,1|3,0,0]=4 373 B8R1.5 NC1=C(Cl)C=CN=C1 CS22737 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.5 NC1=C(Cl)C=NC=C1 CS13897 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.5 NC1=C(F)C=CN=C1 MC106328 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.5 NC1=C(F)C=NC=C1 CS13971 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.5 NC1=C(I)C=CN=C1 CS17808 [0,0,0,0,0,1|3,0,0]=4 378 B8R1.5 NC1=C(I)C=NC=C1 CS18532 [0,0,0,0,0,1|3,0,0]=4 379 B8R1.5 NC1=C(N)C=NC=C1 CS22778 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.5 NC1=C(O)C=CN=C1 MC427456 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.5 NC1=C(O)C=NC=C1 CS14741 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.5 NC1=C(S)C=CN=C1 MC427552 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.5 NC1=C(S)C=NC=C1 MC427410 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.5 NC1=CC=CN=C1Br CS22729 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.5 NC1=CC=CN=C1Cl CS17686 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.5 NC1=CC=CN=C1F CS22742 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.5 NC1=CC=CN=C1I CS18159 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.5 NC1=CC=CN=C1N CS21785 [0,0,0,0,0,1|3,0,0]=4 389 B8R1.5 NC1=CC=NNC1=O CS15772 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.5 NC1=CN=CN=C1Br CS12371 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.5 NC1=CN=CN=C1Cl CS10217 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.5 NC1=CN=CN=C1N MC10418 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.5 NC1=NC=CC=C1Br CS17634 [0,0,0,0,0,1|3,0,0]=4 394 B8R1.5 NC1=NC=CC=C1Cl CS17664 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.5 NC1=NC=CC=C1F CS13951 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.5 NC1=NC=CC=C1I CS13464 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.5 NC1=NC=CC=C1O CS22765 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.5 NC1=NC=CC=C1S MC110834 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.5 NC1=NC=CN=C1Br CS21229 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.5 NC1=NC=CN=C1Cl CS18423 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.5 NC1=NC=CN=C1I CS12456 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.5 NC1=NC=CN=C1O CS21231 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.5 NC1=NC=NC=C1Br CS18005 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.5 NC1=NC=NC=C1Cl CS12255 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.5 NC1=NC=NC=C1F CS12828 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.5 NC1=NC=NC=C1O CS16658 [0,0,0,0,0,1|3,0,0]=4 407 B8R1.5 O=C1N=CNC=C1Br CS10567 [0,0,0,0,0,1|3,0,0]=4 408 B8R1.5 O=C1N=CNC=C1Br CS12515 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.5 O=C1NC=NC=C1O CS15721 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.5 O=C1NN=CC=C1Cl CS15942 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.5 OC1=C(Br)C=CN=C1 CS13781 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.5 OC1=C(Br)C=NC=C1 CS14222 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.5 OC1=C(Cl)C=CN=C1 CS16383 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.5 OC1=C(Cl)C=NC=C1 CS16225 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.5 OC1=C(F)C=NC=C1 CS22284 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.5 OC1=C(I)C=CN=C1 CS12130 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.5 OC1=C(I)C=NC=C1 MC425611 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.5 OC1=CC=CN=C1Br CS17449 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.5 OC1=CC=CN=C1Cl CS17508 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.5 OC1=CC=CN=C1F CS13836 [0,0,0,0,0,1|3,0,0]=4 421 B8R1.5 OC1=CC=CN=C1I CS14294 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.5 OC1=NC=CC=C1Br CS18703 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.5 OC1=NC=NC=C1F CS22574 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.5 OC1=NC=NC=C1I CS12263 [0,0,0,0,0,1|3,0,0]=4 425 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,1,0,0,0|1,1,0]=4 426 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,1,0,0,0|1,1,0]=4 427 B5R1.1 C1=CNC=C1 MC20798 [2,0,0,0,0,0|1,0,1]=4 428 B5R1.1 C1=CNC=N1 CS19767 [2,0,0,0,0,0|1,0,0]=3 429 B5R1.1 C1=CNN=C1 CS18933 [2,0,0,0,0,0|2,0,0]=4 430 B5R1.1 C1=CNN=N1 CS18218 [2,0,0,0,0,0|2,0,0]=4 431 B5R1.1 C1=CON=C1 MC20462 [2,0,0,0,0,0|2,0,0]=4 432 B5R1.1 C1=CSC=C1 MC41709 [2,0,0,0,0,0|1,0,0]=3 433 B5R1.1 C1=CSC=N1 MC425154 [2,0,0,0,0,0|0,0,0]=2 434 B5R1.1 C1=CSN=C1 MC20995 [2,0,0,0,0,0|2,0,0]=4 435 B5R1.1 C1=C[CH-]C=C1 MC21078 [2,0,0,0,0,0|2,0,0]=4 436 B5R1.1 C1=NC=NN1 CS19896 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.1 BrCC1=CC=CS1 MC111260 [1,1,0,0,0,0|1,0,0]=3 438 B7R1.1 BrCC1=CC=NO1 MC114075 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.1 BrCC1=COC=C1 MC111404 [1,1,0,0,0,0|1,1,0]=4 440 B7R1.1 BrCC1=NC=CO1 MC106296 [1,1,0,0,0,0|2,0,0]=4 441 B7R1.1 BrCC1=NC=CS1 CS12090 [1,1,0,0,0,0|2,0,0]=4 442 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,1,0,0,0,0|2,0,0]=4 443 B7R1.1 CCC1=NC=CN1 CS21533 [1,1,0,0,0,0|2,0,0]=4 444 B7R1.1 CCN1C=CC=N1 CS20681 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.1 CNC1=NC=CS1 CS12598 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.1 COC1=CSC=C1 CS22351 [1,1,0,0,0,0|1,0,0]=3 447 B7R1.1 COC1=NC=CS1 CS22597 [1,1,0,0,0,0|2,0,0]=4 448 B7R1.1 CSC1=CNN=C1 MC445675 [1,1,0,0,0,0|2,0,0]=4 449 B7R1.1 CSC1=NC=CO1 CS17723 [1,1,0,0,0,0|2,0,0]=4 450 B7R1.1 CSC1=NN=NS1 MC112481 [1,1,0,0,0,0|2,0,0]=4 451 B7R1.1 ClCC1=CC=CO1 CS13429 [1,1,0,0,0,0|1,1,0]=4 452 B7R1.1 ClCC1=CN=CO1 MC105780 [1,1,0,0,0,0|0,1,0]=3 453 B7R1.1 ClCC1=CN=CO1 MC114644 [1,1,0,0,0,0|0,1,0]=3 454 B7R1.1 ClCC1=CN=CS1 CS16156 [1,1,0,0,0,0|0,0,0]=2 455 B7R1.1 ClCC1=COC=N1 MC113786 [1,1,0,0,0,0|0,1,0]=3 456 B7R1.1 ClCC1=NC=CN1 CS20896 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.1 ClCC1=NC=NN1 MC116571 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.1 ClCC1=NNC=C1 MC442276 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.1 I[Zn]c1ccsc1 MC116065 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.1 N#CC1=CC=CS1 CS22701 [1,1,0,0,0,0|1,0,1]=4 461 B7R1.1 N#CC1=CN=CS1 CS12489 [1,1,0,0,0,0|0,0,1]=3 462 B7R1.1 N#CC1=CNC=N1 CS20707 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.1 N#CC1=COC=N1 CS18363 [1,1,0,0,0,0|0,1,1]=4 464 B7R1.1 N#CC1=CSC=C1 CS17418 [1,1,0,0,0,0|1,0,1]=4 465 B7R1.1 NCC1=CC=CN1 CS14874 [1,1,0,0,0,0|1,0,1]=4 466 B7R1.1 NCC1=CC=CO1 MC41689 [1,1,0,0,0,0|1,1,0]=4 467 B7R1.1 NCC1=CC=CS1 CS22783 [1,1,0,0,0,0|1,0,0]=3 468 B7R1.1 NCC1=CN=CO1 CS17502 [1,1,0,0,0,0|0,1,0]=3 469 B7R1.1 NCC1=CN=CO1 CS18508 [1,1,0,0,0,0|0,1,0]=3 470 B7R1.1 NCC1=CN=CO1 MC104477 [1,1,0,0,0,0|0,1,0]=3 471 B7R1.1 NCC1=CNC=N1 CS15263 [1,1,0,0,0,0|1,0,0]=3 472 B7R1.1 NCC1=CNC=N1 CS16828 [1,1,0,0,0,0|1,0,0]=3 473 B7R1.1 NCC1=CON=C1 MC104809 [1,1,0,0,0,0|2,0,0]=4 474 B7R1.1 NCC1=CON=C1 MC114871 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.1 NCC1=CSC=C1 CS22417 [1,1,0,0,0,0|1,0,0]=3 476 B7R1.1 NCC1=CSC=N1 MC116268 [1,1,0,0,0,0|0,0,0]=2 477 B7R1.1 NCC1=NC=CS1 MC444202 [1,1,0,0,0,0|2,0,0]=4 478 B7R1.1 NCC1=NN=CO1 MC103312 [1,1,0,0,0,0|1,1,0]=4 479 B7R1.1 NCC1=NNC=C1 CS15493 [1,1,0,0,0,0|2,0,0]=4 480 B7R1.1 NCC1=NNC=N1 MC431455 [1,1,0,0,0,0|2,0,0]=4 481 B7R1.1 NCC1=NSC=C1 MC105065 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.1 NCc1cocn1 MC102412 [1,1,0,0,0,0|0,1,0]=3 483 B7R1.1 O=CC1=CC=CS1 CS16400 [1,1,0,0,0,0|1,0,1]=4 484 B7R1.1 O=CC1=CN=CO1 MC100355 [1,1,0,0,0,0|0,1,1]=4 485 B7R1.1 O=CC1=CN=CS1 CS15582 [1,1,0,0,0,0|0,0,1]=3 486 B7R1.1 O=CC1=CNC=N1 CS14113 [1,1,0,0,0,0|1,0,1]=4 487 B7R1.1 O=CC1=CSC=C1 CS14553 [1,1,0,0,0,0|1,0,1]=4 488 B7R1.1 O=CC1=CSC=N1 MC33021 [1,1,0,0,0,0|0,0,1]=3 489 B7R1.1 OCC1=CC=CO1 MC41687 [1,1,0,0,0,0|1,1,0]=4 490 B7R1.1 OCC1=CC=NO1 CS15343 [1,1,0,0,0,0|2,0,0]=4 491 B7R1.1 OCC1=CN=CS1 CS16191 [1,1,0,0,0,0|0,0,0]=2 492 B7R1.1 OCC1=CNN=C1 CS20094 [1,1,0,0,0,0|2,0,0]=4 493 B7R1.1 OCC1=COC=C1 CS22303 [1,1,0,0,0,0|1,1,0]=4 494 B7R1.1 OCC1=CON=C1 MC104808 [1,1,0,0,0,0|2,0,0]=4 495 B7R1.1 OCC1=CSC=C1 CS18039 [1,1,0,0,0,0|1,0,0]=3 496 B7R1.1 OCC1=CSC=N1 CS22892 [1,1,0,0,0,0|0,0,0]=2 497 B7R1.1 OCC1=NC=CS1 MC113802 [1,1,0,0,0,0|2,0,0]=4 498 B7R1.1 OCC1=NC=NN1 MC116570 [1,1,0,0,0,0|2,0,0]=4 499 B7R1.1 OCC1=NN=CS1 MC107600 [1,1,0,0,0,0|1,0,0]=3 500 B7R1.1 OCN1C=CC=N1 CS11902 [1,1,0,0,0,0|2,0,0]=4 501 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.2 BrC1=CN=C(Br)S1 CS19923 [1,1,0,0,0,0|1,0,0]=3 503 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [1,1,0,0,0,0|2,0,0]=4 504 B7R1.2 BrC1=CSC(Br)=N1 CS13368 [1,1,0,0,0,0|1,0,0]=3 505 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,1,0,0,0,0|1,0,0]=3 506 B7R1.2 CC1=CC(Br)=NN1 CS12832 [1,1,0,0,0,0|2,0,0]=4 507 B7R1.2 CC1=CC(Br)=NO1 MC113406 [1,1,0,0,0,0|2,0,0]=4 508 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,1,0,0,0,0|2,0,0]=4 509 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,1,0,0,0,0|2,0,0]=4 510 B7R1.2 CC1=CC(I)=NN1 CS16887 [1,1,0,0,0,0|2,0,0]=4 511 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,1,0,0,0,0|1,0,0]=3 512 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,1,0,0,0,0|1,0,1]=4 513 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,1,0,0,0,0|1,0,0]=3 514 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,1,0,0,0,0|2,0,0]=4 515 B7R1.2 CC1=CN(C)N=N1 MC103246 [1,1,0,0,0,0|2,0,0]=4 516 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,1,0,0,0,0|0,0,0]=2 517 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,1,0,0,0,0|0,0,0]=2 518 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,1,0,0,0,0|0,0,0]=2 519 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,1,0,0,0,0|1,0,0]=3 520 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,1,0,0,0,0|1,0,0]=3 521 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,1,0,0,0,0|0,1,0]=3 522 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,1,0,0,0,0|0,0,0]=2 523 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,1,0,0,0,0|0,0,0]=2 524 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,1,0,0,0,0|1,0,0]=3 525 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,1,0,0,0,0|1,0,0]=3 526 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,1,0,0,0,0|1,0,0]=3 527 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,1,0,0,0,0|1,0,0]=3 529 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,1,0,0,0,0|1,0,0]=3 531 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,1,0,0,0,0|2,0,0]=4 532 B7R1.2 CC1=NN=C(Br)S1 CS22523 [1,1,0,0,0,0|1,0,0]=3 533 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,1,0,0,0,0|1,1,0]=4 534 B7R1.2 CC1=NN=C(N)N1 CS22083 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.2 CC1=NNC(=O)S1 MC107311 [1,1,0,0,0,0|1,0,1]=4 536 B7R1.2 CC1=NNC(C)=N1 MC444208 [1,1,0,0,0,0|2,0,0]=4 537 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,1,0,0,0,0|2,0,0]=4 538 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,1,0,0,0,0|2,0,0]=4 539 B7R1.2 CC1=NSC(Br)=C1 CS10288 [1,1,0,0,0,0|2,0,0]=4 540 B7R1.2 CC1=NSC(Br)=N1 MC115942 [1,1,0,0,0,0|1,0,0]=3 541 B7R1.2 CC1=NSC(I)=C1 MC100265 [1,1,0,0,0,0|2,0,0]=4 542 B7R1.2 CC1=NSC(N)=C1 CS16387 [1,1,0,0,0,0|2,0,0]=4 543 B7R1.2 CN1C=C(Br)C=N1 CS19794 [1,1,0,0,0,0|2,0,0]=4 544 B7R1.2 CN1C=C(Cl)C=N1 CS12276 [1,1,0,0,0,0|2,0,0]=4 545 B7R1.2 CN1C=C(I)C=N1 CS20765 [1,1,0,0,0,0|2,0,0]=4 546 B7R1.2 CN1C=C(N)C=N1 CS12134 [1,1,0,0,0,0|2,0,0]=4 547 B7R1.2 CN1C=C(N)C=N1 CS15973 [1,1,0,0,0,0|2,0,0]=4 548 B7R1.2 CN1C=C(N)C=N1 MC41661 [1,1,0,0,0,0|2,0,0]=4 549 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,1,0,0,0,0|2,0,0]=4 550 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,1,0,0,0,0|2,0,0]=4 551 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,1,0,0,0,0|2,0,0]=4 552 B7R1.2 CN1C=NC(Br)=N1 CS22130 [1,1,0,0,0,0|2,0,0]=4 553 B7R1.2 CN1C=NC(I)=C1 CS16068 [1,1,0,0,0,0|2,0,0]=4 554 B7R1.2 CN1C=NC(N)=C1 CS15605 [1,1,0,0,0,0|2,0,0]=4 555 B7R1.2 CN1C=NC(N)=C1 MC102995 [1,1,0,0,0,0|2,0,0]=4 556 B7R1.2 CN1C=NC(N)=N1 MC443496 [1,1,0,0,0,0|2,0,0]=4 557 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,1,0,0,0,0|2,0,0]=4 558 B7R1.2 ClC1=CN=C(Br)S1 MC441007 [1,1,0,0,0,0|1,0,0]=3 559 B7R1.2 ClC1=CSC(Br)=N1 CS17180 [1,1,0,0,0,0|1,0,0]=3 560 B7R1.2 ClC1=CSC(Cl)=N1 CS14318 [1,1,0,0,0,0|1,0,0]=3 561 B7R1.2 ClC1=NC(Br)=CS1 MC425755 [1,1,0,0,0,0|1,0,0]=3 562 B7R1.2 ClC1=NC=C(Br)S1 MC441006 [1,1,0,0,0,0|1,0,0]=3 563 B7R1.2 FC1=CN=C(Br)S1 MC105255 [1,1,0,0,0,0|1,0,0]=3 564 B7R1.2 FC1=CSC(Br)=C1 MC430931 [1,1,0,0,0,0|2,0,0]=4 565 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [1,1,0,0,0,0|2,0,0]=4 566 B7R1.2 NC1=CSC(Br)=N1 MC110924 [1,1,0,0,0,0|1,0,0]=3 567 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [1,1,0,0,0,0|2,0,0]=4 569 B7R1.2 NC1=CSC(N)=N1 CS14359 [1,1,0,0,0,0|1,0,0]=3 570 B7R1.2 NC1=NC(Br)=CS1 CS18333 [1,1,0,0,0,0|1,0,0]=3 571 B7R1.2 NC1=NC(O)=CS1 MC111277 [1,1,0,0,0,0|1,0,0]=3 572 B7R1.2 NC1=NC=C(Cl)S1 CS21276 [1,1,0,0,0,0|1,0,0]=3 573 B7R1.2 NC1=NC=C(Cl)S1 MC442845 [1,1,0,0,0,0|1,0,0]=3 574 B7R1.2 NC1=NC=C(F)S1 CS10393 [1,1,0,0,0,0|1,0,0]=3 575 B7R1.2 NC1=NN=C(Br)S1 CS13944 [1,1,0,0,0,0|2,0,0]=4 576 B7R1.2 NC1=NN=C(Cl)S1 CS12574 [1,1,0,0,0,0|2,0,0]=4 577 B7R1.2 NC1=NN=C(S)S1 MC20709 [1,1,0,0,0,0|2,0,0]=4 578 B7R1.2 SC1=NN=C(S)S1 MC20523 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [0,1,0,0,0,1|1,0,1]=4 580 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [0,1,0,0,0,1|1,0,1]=4 581 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,0,0,1|1,0,1]=4 582 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,1,0,0,0,1|1,0,0]=3 583 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,1,0,0,0,1|1,0,0]=3 585 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [0,1,0,0,0,1|1,0,0]=3 586 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.2 CC1=CN=NC(CN)=C1 MC104119 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.2 CC1=NC(C#N)=NC=C1 MC425508 [0,1,0,0,0,1|1,0,1]=4 594 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,1,0,0,0,1|1,0,1]=4 595 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,1,0,0,0,1|1,0,0]=3 596 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,1,0,0,0,1|1,0,0]=3 597 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,1,0,0,0,1|1,0,0]=3 598 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [0,1,0,0,0,1|1,0,1]=4 599 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,0,0,1|1,0,1]=4 600 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,1,0,0,0,1|1,0,1]=4 601 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,1,0,0,0,1|1,0,0]=3 602 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.2 CNC1=CC(Br)=NC=C1 MC442736 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.2 CNC1=NC=NC(Cl)=C1 CS19244 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.2 COC1=CC(Br)=NC=C1 CS16230 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.2 COC1=CC(Br)=NC=N1 MC441213 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.2 COC1=CC(Cl)=NC=C1 CS19311 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.2 COC1=CC(Cl)=NC=N1 CS17690 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.2 COC1=CC(I)=NC=N1 CS17505 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.2 COC1=CC(N)=NC=C1 CS19522 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.2 COC1=CC(N)=NC=N1 CS18114 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,1,0,0,0,1|1,0,0]=3 629 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.2 CSC1=CC(Cl)=NC=N1 CS12488 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [0,1,0,0,0,1|1,0,1]=4 644 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.2 NC1=CC(CO)=NC=N1 MC121194 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.2 NC1=CC(CO)=NC=N1 MC425257 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.2 NC1=NC=CC(CCl)=C1 MC431205 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.2 NC1=NC=CC(CF)=N1 MC430731 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.2 NC1=NC=CC(CO)=C1 CS17807 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.2 NC1=NC=CC(CO)=N1 CS21291 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.2 NCC1=CC(=O)N=CN1 MC112983 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.2 NCC1=CC(Br)=NC=C1 CS17247 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.2 NCC1=CC(Cl)=NC=C1 CS16037 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.2 NCC1=CC(F)=NC=C1 MC116260 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.2 NCC1=CC(N)=NC=C1 CS17453 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.2 NCC1=CC(N)=NC=N1 MC113023 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.2 NCC1=CC(N)=NC=N1 MC115658 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.2 NCC1=NC=NC(Cl)=C1 MC113046 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.2 OCC1=CC(Br)=NC=C1 CS19256 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.2 OCC1=CC(F)=NC=C1 CS21547 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.2 OCC1=NC=NC(Cl)=C1 MC444425 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.3 CC1=C(Br)C(Br)=NC=C1 CS20021 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 CS14983 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.3 CC1=C(Br)C(Cl)=NC=N1 CS12379 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.3 CC1=C(Br)C(F)=NC=C1 CS20037 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.3 CC1=C(Br)C(N)=NC=N1 CS12474 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.3 CC1=C(Br)C(O)=NC=C1 CS21575 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.3 CC1=C(Br)C(O)=NC=N1 MC106954 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.3 CC1=C(C)C(Cl)=NC=C1 MC445292 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.3 CC1=C(C)C(N)=NC=C1 CS14451 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.3 CC1=C(C)C(O)=NC=C1 MC431552 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.3 CC1=C(F)C(Br)=NC=C1 CS19394 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.3 CC1=C(F)C(Cl)=NC=C1 CS19389 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.3 CC1=C(F)C(N)=NC=C1 MC433034 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.3 CC1=C(F)C(O)=NC=N1 MC113803 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.3 CC1=C(I)C(Cl)=NC=N1 CS22770 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.3 CC1=C(I)C(N)=NC=N1 CS10411 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.3 CC1=C(N)C(Br)=NC=C1 CS13575 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.3 CC1=C(N)C(Cl)=NC=C1 CS19470 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.3 CC1=C(O)C(Cl)=NC=C1 CS16152 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.3 CC1=CC=CC(C)=C1Br CS19952 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.3 CC1=CC=CC(C)=C1Cl MC41533 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.3 CC1=CC=CC(C)=C1I MC41542 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.3 CC1=CC=CC(C)=C1N CS19754 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.3 CC1=CC=CC(C)=C1O CS21185 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] MC41613 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.3 CC1=NC=CC(Br)=C1C CS15313 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.3 CC1=NC=CC(Br)=C1F CS17321 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.3 CC1=NC=CC(C)=C1O MC430625 [0,1,0,0,0,1|1,0,0]=3 698 B9R1.3 CC1=NC=CC(Cl)=C1C MC442671 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.3 CC1=NC=CC(Cl)=C1N CS15139 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.3 CC1=NC=CC(N)=C1Br MC432357 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.3 CC1=NC=CC(N)=C1C CS14420 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.3 CC1=NC=CC(N)=C1N CS21697 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.3 CC1=NC=NC(C)=C1Br MC425280 [0,1,0,0,0,1|1,0,0]=3 704 B9R1.34 CC1=CC(=O)NC(N)=N1 CS14276 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.34 CC1=CC(Br)=CC(Br)=N1 MC441309 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.34 CC1=CC(Br)=CC(C)=N1 CS17464 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.34 CC1=CC(Br)=CC(F)=N1 MC431200 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.34 CC1=CC(Br)=CC(O)=N1 CS15180 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.34 CC1=CC(Br)=NC(Br)=C1 CS12414 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.34 CC1=CC(Br)=NC(C)=C1 CS14545 [0,1,0,0,0,1|1,0,0]=3 711 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 MC433059 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.34 CC1=CC(Br)=NC(F)=C1 MC433041 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.34 CC1=CC(Br)=NC(N)=N1 CS12756 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.34 CC1=CC(C)=CC(Br)=C1 CS19140 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.34 CC1=CC(C)=CC(C)=C1 MC41548 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.34 CC1=CC(C)=CC(I)=C1 CS19879 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.34 CC1=CC(C)=CC(N)=C1 CS19815 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.34 CC1=CC(C)=CC(O)=C1 MC41192 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.34 CC1=CC(C)=CC(S)=C1 MC41408 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.34 CC1=CC(C)=NC(C)=C1 MC41641 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.34 CC1=CC(C)=NC(Cl)=N1 CS19469 [0,1,0,0,0,1|1,0,0]=3 722 B9R1.34 CC1=CC(C)=NC(N)=N1 CS19549 [0,1,0,0,0,1|1,0,0]=3 723 B9R1.34 CC1=CC(C)=NC(O)=N1 CS19523 [0,1,0,0,0,1|1,0,0]=3 724 B9R1.34 CC1=CC(C)=NC(S)=N1 CS19545 [0,1,0,0,0,1|1,0,0]=3 725 B9R1.34 CC1=CC(C)=NC(S)=N1 MC41647 [0,1,0,0,0,1|1,0,0]=3 726 B9R1.34 CC1=CC(Cl)=CC(C)=N1 CS17490 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 CS21090 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.34 CC1=CC(Cl)=CC(F)=N1 MC429626 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.34 CC1=CC(Cl)=CC(N)=N1 CS21244 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.34 CC1=CC(Cl)=NC(C)=C1 CS18953 [0,1,0,0,0,1|1,0,0]=3 731 B9R1.34 CC1=CC(Cl)=NC(C)=N1 CS19474 [0,1,0,0,0,1|1,0,0]=3 732 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 CS21169 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.34 CC1=CC(Cl)=NC(Cl)=N1 CS21790 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.34 CC1=CC(Cl)=NC(N)=N1 CS14995 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.34 CC1=CC(F)=CC(F)=N1 MC432636 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.34 CC1=CC(F)=CC(O)=N1 MC431644 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.34 CC1=CC(I)=CC(C)=N1 CS15577 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.34 CC1=CC(I)=CC(N)=N1 MC430536 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.34 CC1=CC(N)=CC(Br)=N1 MC441310 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.34 CC1=CC(N)=CC(C)=N1 CS17195 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.34 CC1=CC(N)=CC(Cl)=N1 MC427512 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.34 CC1=CC(N)=NC(Br)=C1 CS12540 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.34 CC1=CC(N)=NC(C)=C1 CS19570 [0,1,0,0,0,1|1,0,0]=3 744 B9R1.34 CC1=CC(N)=NC(C)=N1 CS14489 [0,1,0,0,0,1|1,0,0]=3 745 B9R1.34 CC1=CC(N)=NC(Cl)=C1 CS21290 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.34 CC1=CC(N)=NC(Cl)=N1 MC444182 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.34 CC1=CC(N)=NC(N)=C1 MC427350 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.34 CC1=CC(N)=NC(N)=N1 CS13657 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.34 CC1=CC(O)=CC(C)=N1 CS21802 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.34 CC1=CC(O)=CC(Cl)=N1 MC441247 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.34 CC1=CC(O)=CC(O)=N1 CS21109 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.34 CC1=CC(O)=NC(C)=C1 CS18772 [0,1,0,0,0,1|1,0,0]=3 753 B9R1.34 CC1=NC(C)=NC(O)=C1 MC428287 [0,1,0,0,0,1|1,0,0]=3 754 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 MC10399 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.34 CC1=NC(Cl)=CC(N)=N1 CS17451 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.34 CC1=NC(Cl)=CC(O)=N1 MC431944 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.34 CC1=NC(I)=CC(I)=N1 CS19730 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.34 CC1=NC(I)=CC(N)=N1 CS15438 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.34 CC1=NC(N)=CC(N)=N1 MC102817 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.34 CC1=NC(N)=NC(O)=N1 CS16289 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.34 CC1=NC(O)=CC(O)=N1 CS17927 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.34 Cc1cc(C)cc(C)c1 MC444978 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.34 Cc1cc(C)cc(F)c1 CS10870 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.69 CC1=C(Br)C=NC(=O)N1 CS15560 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.69 CC1=C(N)C=NC(Br)=C1 CS19458 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.69 CC1=C(N)C=NC(Cl)=C1 CS19473 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.69 CC1=C(N)C=NC(F)=C1 MC20830 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.69 CC1=CC(Br)=C(O)C=N1 MC432165 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.69 CC1=CC(Br)=NC=C1Br CS14171 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.69 CC1=CC(Br)=NC=C1Cl MC427549 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.69 CC1=CC(Br)=NC=C1F MC430954 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.69 CC1=CC(C)=C(Br)C=C1 MC41530 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.69 CC1=CC(C)=C(C)C=C1 MC41547 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.69 CC1=CC(C)=C(Cl)N=N1 MC444259 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.69 CC1=CC(C)=C(F)C=C1 MC33141 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.69 CC1=CC(C)=C(N)C=C1 CS20011 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.69 CC1=CC(C)=C(O)C=C1 MC30165 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.69 CC1=CC(C)=C(S)C=C1 MC443880 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.69 CC1=CC(C)=NC=C1Br MC427292 [0,1,0,0,0,1|1,0,0]=3 780 B9R1.69 CC1=CC(C)=NNC1=O MC105060 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.69 CC1=CC(Cl)=NC=C1Br CS18475 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.69 CC1=CC(Cl)=NC=C1Cl MC20731 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.69 CC1=CC(Cl)=NC=C1F CS19390 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.69 CC1=CC(F)=NC=C1Br CS10262 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.69 CC1=CC(F)=NC=C1Cl MC433043 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.69 CC1=CC(F)=NC=C1I MC433046 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.69 CC1=CC(N)=NC=C1Br CS19457 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.69 CC1=CC(N)=NC=C1Cl CS19468 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.69 CC1=CC(N)=NC=C1F MC10782 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.69 CC1=CC(O)=NC=C1Br CS13793 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.69 CC1=CC=C(Br)C(C)=N1 CS20363 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.69 CC1=CC=C(F)C(C)=N1 MC429927 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.69 CC1=CC=C(N)C(C)=N1 CS19572 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.69 CC1=CC=C(O)C(C)=N1 MC41612 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.69 CC1=CN=C(C)C=C1Br MC107156 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.69 CC1=CN=C(C)C=C1Cl CS15163 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.69 CC1=CN=C(C)C=C1N MC111434 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.69 CC1=CN=C(C)N=C1N CS17171 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.69 CC1=CN=C(N)C=C1C MC110553 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.69 CC1=NC(Br)=NC=C1Br MC441030 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.69 CC1=NC(Br)=NC=C1N MC443750 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.69 CC1=NC(Cl)=NC=C1Br CS12644 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.69 CC1=NC(Cl)=NC=C1F CS14202 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.69 CC1=NC(N)=NC=C1Br CS19861 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.69 CC1=NC=C(Br)C(=O)N1 CS17891 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.69 CC1=NC=C(Br)C(Cl)=N1 CS14459 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.69 CC1=NC=C(Br)C(O)=N1 CS10273 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.69 CC1=NC=C(Cl)C(N)=C1 MC105902 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.69 CC1=NC=C(F)C(=O)N1 CS14592 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.69 CC1=NC=C(F)C(Br)=C1 CS16271 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.69 CC1=NC=C(F)C(Cl)=C1 MC431999 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.69 CC1=NC=C(F)C(Cl)=N1 CS12957 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.69 CC1=NC=C(N)C(=O)N1 CS14824 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.69 CC1=NC=C(N)C(C)=N1 CS14188 [0,1,0,0,0,1|1,0,0]=3 815 B9R1.69 CC1=NC=C(N)C(Cl)=N1 CS13251 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.69 CC1=NC=C(O)C(C)=N1 CS16008 [0,1,0,0,0,1|1,0,0]=3 817 B9R1.69 Cc1ccc(Cl)c(C)c1 MC433524 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.15 CC1=C(C#N)N=NC=C1 MC105174 [0,1,0,0,0,1|1,0,1]=4 819 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [0,1,0,0,0,1|1,0,0]=3 821 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [0,1,0,0,0,1|1,0,0]=3 822 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [0,1,0,0,0,1|1,0,0]=3 824 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [0,1,0,0,0,1|1,0,0]=3 825 B9R1.15 CC1=CC=CN=C1C#N CS20234 [0,1,0,0,0,1|1,0,1]=4 826 B9R1.15 CC1=CC=CN=C1C=O CS14987 [0,1,0,0,0,1|1,0,1]=4 827 B9R1.15 CC1=CC=CN=C1CCl CS15725 [0,1,0,0,0,1|1,0,0]=3 828 B9R1.15 CC1=CC=CN=C1CO CS19225 [0,1,0,0,0,1|1,0,0]=3 829 B9R1.15 CC1=CC=NC=C1C#N CS22253 [0,1,0,0,0,1|1,0,1]=4 830 B9R1.15 CC1=CC=NC=C1C=O MC442433 [0,1,0,0,0,1|1,0,1]=4 831 B9R1.15 CC1=CN=NC=C1CN MC104847 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.15 CC1=NC=CC=C1CCl MC104832 [0,1,0,0,0,1|1,0,0]=3 833 B9R1.15 CC1=NC=CC=C1CN MC102930 [0,1,0,0,0,1|1,0,0]=3 834 B9R1.15 CC1=NC=CC=C1CO CS20145 [0,1,0,0,0,1|1,0,0]=3 835 B9R1.15 CC1=NC=CN=C1CCl MC104771 [0,1,0,0,0,1|1,0,0]=3 836 B9R1.15 CC1=NC=CN=C1CN MC103464 [0,1,0,0,0,1|1,0,0]=3 837 B9R1.15 CC1=NC=CN=C1NN MC111198 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.15 CCC1=NC=CC=C1Br MC105746 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.15 CCC1=NC=NC=C1F CS19573 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.15 CNC1=C(N)C=NC=C1 MC10330 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.15 CNC1=NC=CC=C1Br CS17281 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.15 CNC1=NC=CC=C1N MC427393 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.15 CNC1=NC=NC=C1Br MC425769 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [0,1,0,0,0,1|1,0,0]=3 851 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [0,1,0,0,0,1|1,0,0]=3 852 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.15 COC1=CC=CN=C1Br CS19255 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.15 COC1=CC=CN=C1Cl CS19305 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.15 COC1=CC=CN=C1F CS13044 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.15 COC1=CC=CN=C1N CS17216 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.15 COC1=CN=CN=C1Br CS17880 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.15 COC1=CN=CN=C1N CS13116 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.15 COC1=CN=CN=C1O MC432213 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.15 COC1=NC=CC=C1Br CS19258 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.15 COC1=NC=CC=C1C MC33438 [0,1,0,0,0,1|1,0,0]=3 868 B9R1.15 COC1=NC=CC=C1Cl CS18705 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.15 COC1=NC=CC=C1F CS19564 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.15 COC1=NC=CC=C1I CS13512 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.15 COC1=NC=CC=C1N CS19526 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.15 COC1=NC=CN=C1Br CS12288 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.15 COC1=NC=CN=C1Cl CS14291 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.15 COC1=NC=CN=C1N MC441119 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.15 CSC1=C(Br)C=CN=C1 MC430535 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.15 FC1=CC=CN=C1CBr MC430869 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.15 FC1=CC=CN=C1CCl MC425766 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.15 FC1=NC=CC=C1CBr MC430634 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.15 FC1=NC=CC=C1CCl MC429652 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.15 NC1=NC=CC=C1CO CS13983 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.15 NCC1=C(Br)C=NC=C1 CS17629 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.15 NCC1=C(F)C=NC=C1 MC116263 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.15 NCC1=C(F)C=NC=C1 MC431082 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.15 NCC1=CC=NNC1=O MC104734 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.15 NCC1=NC=CC=C1F MC104008 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.15 NCC1=NC=CC=C1O MC443567 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.15 OCC1=C(Br)C=NC=C1 CS12881 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.15 OCC1=C(Cl)C=CN=C1 CS17105 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.15 OCC1=CC=CN=C1F CS18697 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.15 OCC1=CN=CN=C1Cl MC444026 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.15 OCC1=NC=CC=C1Br MC431297 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.15 OCC1=NC=CC=C1Br MC431298 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.15 OCC1=NC=CC=C1F MC430870 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.15 OCC1=NC=CC=C1O MC20200 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.14 CCN1N=CN=C1CO MC100296 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.22 CC1=C(C#N)N=C(Cl)S1 CS18228 [0,2,0,0,0,0|0,0,1]=3 905 B9R1.22 CC1=C(CCl)OC(=O)O1 CS17711 [0,2,0,0,0,0|1,1,0]=4 906 B9R1.22 CC1=C(CO)OC(=O)O1 CS15068 [0,2,0,0,0,0|1,1,0]=4 907 B9R1.22 CC1=C(CO)SC(Br)=N1 MC432524 [0,2,0,0,0,0|0,0,0]=2 908 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [0,2,0,0,0,0|1,0,1]=4 909 B9R1.22 CC1=NN(C)C(CBr)=C1 MC106883 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.22 CC1=NN(C)C(CN)=C1 MC431417 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.22 CCC1=C(Br)SC(Cl)=N1 MC100474 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.22 CCC1=C(C)N=C(N)S1 CS18463 [0,2,0,0,0,0|0,0,0]=2 913 B9R1.22 ClC1=C(CBr)C=C(Br)S1 MC443705 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 CS14424 [0,2,0,0,0,0|1,0,1]=4 915 B9R1.22 NC1=NC(Cl)=C(C=O)S1 CS18473 [0,2,0,0,0,0|1,0,1]=4 916 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 CS16290 [0,2,0,0,0,0|1,0,1]=4 917 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 CS13821 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.27 CC1=NOC(C)=C1CCl CS19517 [0,2,0,0,0,0|2,0,0]=4 919 B9R1.33 CC1=C(CCCl)SC=N1 MC445666 [0,2,0,0,0,0|0,0,0]=2 920 B9R1.33 CC1=C(CCO)SC=N1 CS19563 [0,2,0,0,0,0|0,0,0]=2 921 B9R1.33 CCOC1=C(C)N=CO1 MC20466 [0,2,0,0,0,0|0,1,0]=3 922 B9R1.33 [NH3+]OCC1=C(Cl)SN=N1 MC118661 [0,2,0,0,0,0|2,0,0]=4 923 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,2,0,0,0,0|0,0,0]=2 924 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.41 CC(C)C1=C(N)NC=N1 MC106289 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.41 CC1=C(B(O)O)C=CS1 MC428308 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.41 CC1=C(B(O)O)SC=C1 MC441627 [0,2,0,0,0,0|2,0,0]=4 929 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,2,0,0,0,0|1,0,1]=4 930 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,2,0,0,0,0|0,1,1]=4 931 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,2,0,0,0,0|0,0,1]=3 932 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,2,0,0,0,0|0,1,1]=4 933 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,2,0,0,0,0|0,0,1]=3 935 B9R1.41 CC1=CNN=C1C(F)F MC430165 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,2,0,0,0,0|1,0,1]=4 937 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.23 CC1=C(C)SC(C#N)=N1 MC115733 [0,2,0,0,0,0|0,0,0]=2 939 B9R1.23 CC1=C(C)SC(NN)=N1 MC431528 [0,2,0,0,0,0|0,0,0]=2 940 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,2,0,0,0,0|2,0,0]=4 941 B9R1.37 CC1=C(C)C(I)=C(C)S1 MC425074 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.37 CC1=NN(C)C(C)=C1Br CS22622 [0,2,0,0,0,0|2,0,0]=4 943 B9R1.37 CC1=NN(C)C(C)=C1N CS15695 [0,2,0,0,0,0|2,0,0]=4 944 B7R1.3 CC1=CC=NC=C1 MC31239 [0,0,1,1,0,0|1,0,1]=4 945 B7R1.3 CC1=CC=NC=C1 MC41625 [0,0,1,1,0,0|1,0,1]=4 946 B7R1.3 CC1=CN=NC=C1 CS22983 [0,0,1,1,0,0|2,0,0]=4 947 B7R1.3 CC1=NC=CC=C1 MC41623 [0,0,1,1,0,0|1,0,1]=4 948 B7R1.3 CC1=NC=NC=C1 CS19795 [0,0,1,1,0,0|1,0,1]=4 949 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [0,0,0,1,0,1|2,0,0]=4 950 B9R2.3 C1=NC2=C(CNC2)S1 MC111731 [0,1,0,1,0,0|0,0,0]=2 951 B9R2.3 C1=NN2CCCC2=C1 CS12798 [0,1,0,1,0,0|2,0,0]=4