0 B6R1.2 BrC1=CC=CS1 AC-13542 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 BrC1=CC=NN1 AC-77336 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 BrC1=CNN=C1 AC-34061 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 BrC1=CNN=N1 AC-92983 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1=COC=C1 AC-76818 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 BrC1=CSC=C1 AC-13152 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 BrC1=NC=CN1 AC-25036 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 BrC1=NC=CS1 AC-14180 [0,0,0,0,0,0|3,1,0]=4 9 B6R1.2 BrC1=NC=NN1 AC-25575 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 BrC1=NC=NN1 AC-76950 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 BrC1=NC=NS1 AC-79423 [0,0,0,0,0,0|3,1,0]=4 12 B6R1.2 BrC1=NN=CN1 AC-76951 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=NN=CS1 AC-42196 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=NNC=C1 AC-25466 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 BrC1=NOC=C1 AC-44673 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 BrC1=NSC=C1 AC-33995 [0,0,0,0,0,0|2,1,0]=3 17 B6R1.2 CC1=CC=CN1 AC-76876 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 CC1=CC=CS1 AC-13544 [0,0,0,0,0,0|2,1,0]=3 19 B6R1.2 CC1=CC=NO1 AC-61136 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=CN=CS1 AC-61630 [0,0,0,0,0,0|3,1,0]=4 21 B6R1.2 CC1=CNC=C1 AC-31721 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 CC1=CNC=N1 AC-74092 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 CC1=CNN=C1 AC-40914 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 CC1=CNN=N1 AC-81046 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CC1=CSC=C1 AC-13559 [0,0,0,0,0,0|2,1,0]=3 26 B6R1.2 CC1=CSC=N1 AC-70267 [0,0,0,0,0,0|3,1,0]=4 27 B6R1.2 CC1=NC=CO1 AC-79510 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CC1=NC=CS1 AC-13530 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 CC1=NCCO1 AC-82993 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 CC1=NN=CO1 AC-80084 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 CC1=NNC=C1 AC-31436 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 CC1=NOC=C1 AC-79826 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 CC1=NON=C1 AC-91556 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 CN1C=CC=N1 AC-40913 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CN1C=CN=N1 AC-31956 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 ClC1=CC=NN1 AC-81136 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 ClC1=CNC=N1 AC-25904 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 ClC1=CNN=C1 AC-26756 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 ClC1=CSC=C1 AC-13557 [0,0,0,0,0,0|2,1,0]=3 40 B6R1.2 ClC1=NC=CS1 AC-26932 [0,0,0,0,0,0|3,1,0]=4 41 B6R1.2 ClC1=NC=NN1 AC-80961 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 ClC1=NC=NS1 AC-35104 [0,0,0,0,0,0|3,1,0]=4 43 B6R1.2 ClC1=NN=CN1 AC-26959 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 ClC1=NN=CS1 AC-95508 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 ClC1=NNC=N1 AC-80089 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 FC1=CC=NN1 AC-88376 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 FC1=CNN=C1 AC-44368 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 FC1=NC=CN1 AC-83757 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 FC1=NC=CN1 AC-84741 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 IC1=CC=CS1 AC-13543 [0,0,0,0,0,0|2,1,0]=3 51 B6R1.2 IC1=CC=NN1 AC-77422 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 IC1=CNC=N1 AC-29921 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 IC1=CNN=C1 AC-18322 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 IC1=NC=CN1 AC-23771 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 IC1=NN=CS1 AC-90957 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 NC1=CC=CS1 AC-84538 [0,0,0,0,0,0|2,1,0]=3 57 B6R1.2 NC1=CC=CS1 AC-87247 [0,0,0,0,0,0|2,1,0]=3 58 B6R1.2 NC1=CC=NN1 AC-75921 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 NC1=CC=NO1 AC-30090 [0,0,0,0,0,0|2,0,0]=2 60 B6R1.2 NC1=CC=NS1 AC-82048 [0,0,0,0,0,0|2,1,0]=3 61 B6R1.2 NC1=CN=CS1 AC-62963 [0,0,0,0,0,0|3,1,0]=4 62 B6R1.2 NC1=CN=NS1 AC-14377 [0,0,0,0,0,0|3,1,0]=4 63 B6R1.2 NC1=CNC=N1 AC-24564 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 NC1=CNC=N1 AC-80611 [0,0,0,0,0,0|4,0,0]=4 65 B6R1.2 NC1=CNC=N1 AC-80945 [0,0,0,0,0,0|4,0,0]=4 66 B6R1.2 NC1=CNN=C1 AC-22670 [0,0,0,0,0,0|4,0,0]=4 67 B6R1.2 NC1=CNN=C1 AC-79807 [0,0,0,0,0,0|4,0,0]=4 68 B6R1.2 NC1=COC=C1 AC-86478 [0,0,0,0,0,0|2,0,0]=2 69 B6R1.2 NC1=COC=N1 AC-86667 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 NC1=CON=C1 AC-32168 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 NC1=CON=C1 AC-80755 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=CSC=C1 AC-46207 [0,0,0,0,0,0|2,1,0]=3 73 B6R1.2 NC1=CSC=C1 AC-81635 [0,0,0,0,0,0|2,1,0]=3 74 B6R1.2 NC1=CSC=N1 AC-92448 [0,0,0,0,0,0|3,1,0]=4 75 B6R1.2 NC1=NC=CN1 AC-93291 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 NC1=NC=CO1 AC-40000 [0,0,0,0,0,0|3,0,0]=3 77 B6R1.2 NC1=NC=NN1 AC-77120 [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 NC1=NC=NS1 AC-32589 [0,0,0,0,0,0|3,1,0]=4 79 B6R1.2 NC1=NC=NS1 AC-73708 [0,0,0,0,0,0|3,1,0]=4 80 B6R1.2 NC1=NN=CN1 AC-77144 [0,0,0,0,0,0|4,0,0]=4 81 B6R1.2 NC1=NN=CS1 AC-11018 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 NC1=NNC=C1 AC-12678 [0,0,0,0,0,0|3,0,0]=3 83 B6R1.2 NC1=NOC=C1 AC-15172 [0,0,0,0,0,0|2,0,0]=2 84 B6R1.2 NC1=NSC=N1 AC-93952 [0,0,0,0,0,0|3,1,0]=4 85 B6R1.2 NN1C=CC=C1 AC-32518 [0,0,0,0,0,0|4,0,0]=4 86 B6R1.2 NN1C=CN=N1 AC-76835 [0,0,0,0,0,0|4,0,0]=4 87 B6R1.2 O=C1CC=CC1 AC-37498 [0,0,0,0,0,0|2,0,1]=3 88 B6R1.2 O=C1CCNC1 AC-22267 [0,0,0,0,0,0|2,0,2]=4 89 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,0,0,0|1,0,2]=3 90 B6R1.2 O=C1CNCN1 AC-81166 [0,0,0,0,0,0|3,0,1]=4 91 B6R1.2 O=C1NCCN1 AC-81031 [0,0,0,0,0,0|3,0,1]=4 92 B6R1.2 O=C1NCCS1 AC-76781 [0,0,0,0,0,0|2,1,1]=4 93 B6R1.2 O=C1OCCO1 AC-76852 [0,0,0,0,0,0|2,0,1]=3 94 B6R1.2 OC1=CNN=C1 AC-71297 [0,0,0,0,0,0|3,0,1]=4 95 B6R1.2 OC1=CSC=C1 AC-80187 [0,0,0,0,0,0|1,1,1]=3 96 B6R1.2 OC1=NN=CC1 AC-85574 [0,0,0,0,0,0|2,0,2]=4 97 B6R1.2 SC1=NC=CN1 AC-75915 [0,0,0,0,0,0|3,1,0]=4 98 B6R1.2 SC1=NNC=N1 AC-14293 [0,0,0,0,0,0|3,1,0]=4 99 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,0,0,0|2,0,1]=4 100 B5R1.1 C1=CNN=C1 AC-14505 [1,0,0,0,0,0|2,0,0]=3 101 B5R1.1 C1=CNN=N1 AC-10611 [1,0,0,0,0,0|3,0,0]=4 102 B5R1.1 C1=COCC1 AC-74091 [1,0,0,0,0,0|1,0,1]=3 103 B5R1.1 C1=CSC=N1 AC-46193 [1,0,0,0,0,0|2,1,0]=4 104 B5R1.1 C1=C[CH-]C=C1 AC-74053 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.1 BrCC1=CC=CO1 AC-83854 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.1 BrCC1=COC=C1 AC-76496 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 BrCC1=CSC=C1 AC-16184 [0,1,0,0,0,0|2,1,0]=4 108 B7R1.1 BrCC1=NOC=C1 AC-44488 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 C#CC1=CC=CS1 AC-85448 [0,1,0,0,0,0|2,1,0]=4 110 B7R1.1 ClCC1=CC=CS1 AC-26301 [0,1,0,0,0,0|2,1,0]=4 111 B7R1.1 ClCC1=COC=N1 AC-95204 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 ClCC1=NOC=C1 AC-94658 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 N#CC1=CC=NO1 AC-81006 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.1 N#CC1=CNC=C1 AC-37646 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 N#CC1=CSC=C1 AC-17501 [0,1,0,0,0,0|2,1,0]=4 116 B7R1.1 N#CC1=NC=CO1 AC-87260 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.1 N#CC1=NNC=C1 AC-27168 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.1 N#CC1=NOC=C1 AC-30087 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 NCC1=CC=CN1 AC-94850 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.1 NCC1=CC=CS1 AC-13549 [0,1,0,0,0,0|2,1,0]=4 121 B7R1.1 NCC1=CC=NO1 AC-34902 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 NCC1=CC=NO1 AC-82629 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 NCC1=CN=CO1 AC-77227 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.1 NCC1=CNC=C1 AC-86964 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.1 NCC1=COC=N1 AC-70218 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 NCC1=COC=N1 AC-72092 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.1 NCC1=CON=C1 AC-81407 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.1 NCC1=CSC=C1 AC-46249 [0,1,0,0,0,0|2,1,0]=4 129 B7R1.1 NCC1=NC=CO1 AC-88063 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.1 NCC1=NNC=C1 AC-34918 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.1 NCC1=NNC=C1 AC-75399 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.1 NCC1=NOC=C1 AC-87053 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.1 O=CC1=CC=CS1 AC-61053 [0,1,0,0,0,0|1,1,0]=3 134 B7R1.1 O=CC1=CC=NN1 AC-80397 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.1 O=CC1=CC=NO1 AC-42863 [0,1,0,0,0,0|1,0,0]=2 136 B7R1.1 O=CC1=CCCC1 AC-80756 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.1 O=CC1=CN=CS1 AC-21275 [0,1,0,0,0,0|2,1,0]=4 138 B7R1.1 O=CC1=CNC=C1 AC-63694 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.1 O=CC1=CNN=C1 AC-45238 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.1 O=CC1=CNN=C1 AC-70143 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.1 O=CC1=COC=C1 AC-61908 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.1 O=CC1=CON=C1 AC-42862 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.1 O=CC1=CSC=C1 AC-13155 [0,1,0,0,0,0|1,1,0]=3 144 B7R1.1 O=CC1=CSC=N1 AC-21274 [0,1,0,0,0,0|2,1,0]=4 145 B7R1.1 O=CC1=CSN=N1 AC-84262 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.1 O=CC1=NC=CN1 AC-20268 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.1 O=CC1=NC=CS1 AC-13531 [0,1,0,0,0,0|2,1,0]=4 148 B7R1.1 O=CC1=NNC=C1 AC-40933 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.1 O=CC1=NNC=C1 AC-94677 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.1 OCC1=CC=CN1 AC-87348 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.1 OCC1=CC=NO1 AC-80699 [0,1,0,0,0,0|1,0,1]=3 152 B7R1.1 OCC1=CN=CO1 AC-45049 [0,1,0,0,0,0|2,0,1]=4 153 B7R1.1 OCC1=COC=C1 AC-45361 [0,1,0,0,0,0|1,0,1]=3 154 B7R1.1 OCC1=COC=N1 AC-45032 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.1 OCC1=CSC=C1 AC-62945 [0,1,0,0,0,0|1,1,1]=4 156 B7R1.1 OCC1=NC=CO1 AC-90952 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.1 OCC1=NNC=C1 AC-40869 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.1 OCC1=NNC=C1 AC-45347 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.2 BrC1=CC=C(Br)S1 AC-13553 [0,1,0,0,0,0|2,1,0]=4 160 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,1,0,0,0,0|1,0,0]=2 161 B7R1.2 CC1=CC(=O)NN1 AC-13387 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 CC1=CC(Br)=CS1 AC-18798 [0,1,0,0,0,0|2,1,0]=4 163 B7R1.2 CC1=CC(Br)=NO1 AC-33149 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.2 CC1=CC(C)=NO1 AC-13649 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.2 CC1=CC(N)=NN1 AC-44621 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.2 CC1=CC(N)=NO1 AC-32674 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.2 CC1=CC(O)=NO1 AC-58257 [0,1,0,0,0,0|1,0,1]=3 168 B7R1.2 CC1=CC=C(Br)O1 AC-81494 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.2 CC1=CC=C(Br)S1 AC-13561 [0,1,0,0,0,0|2,1,0]=4 170 B7R1.2 CC1=CN=C(N)O1 AC-41470 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.2 CC1=CNC(C)=C1 AC-13373 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 CC1=CSC(=O)N1 AC-93701 [0,1,0,0,0,0|2,1,0]=4 173 B7R1.2 CC1=CSC(I)=C1 AC-82271 [0,1,0,0,0,0|2,1,0]=4 174 B7R1.2 CC1=NN(C)C=C1 AC-28547 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 CC1=NNC(=O)C1 AC-31598 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.2 CC1=NNC(O)=C1 AC-68450 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.2 CC1=NOC(Br)=C1 AC-33145 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 CC1=NSC(N)=C1 AC-21153 [0,1,0,0,0,0|2,1,0]=4 179 B7R1.2 CC1=NSC(N)=C1 AC-87848 [0,1,0,0,0,0|2,1,0]=4 180 B7R1.2 CN1C=CC(=O)N1 AC-82045 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.2 CN1C=CC(Br)=N1 AC-40821 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 CN1C=CC(N)=C1 AC-80610 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.2 CN1C=CC(N)=C1 AC-81457 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 CN1C=CC(N)=N1 AC-22735 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 NC1=CC(=O)CC1 AC-76594 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 NC1=CC(=O)CS1 AC-86021 [0,1,0,0,0,0|1,1,0]=3 187 B7R1.2 NC1=CC(=O)NN1 AC-76578 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.2 NC1=CC(N)=NN1 AC-27377 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.2 NC1=NC(=O)CS1 AC-90973 [0,1,0,0,0,0|2,1,0]=4 190 B7R1.2 NC1=NNC(O)=C1 AC-22676 [0,1,0,0,0,0|2,0,1]=4 191 B7R1.2 NC1=NNC(O)=C1 AC-32375 [0,1,0,0,0,0|2,0,1]=4 192 B7R1.2 O=C1C=C(Cl)SN1 AC-72177 [0,1,0,0,0,0|1,1,0]=3 193 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,1,0,0,0,0|1,0,0]=2 195 B7R1.2 O=C1C=CC(Br)O1 AC-95636 [0,1,0,0,0,0|1,0,0]=2 196 B7R1.2 O=C1CSC(=O)N1 AC-13374 [0,1,0,0,0,0|2,1,0]=4 197 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,1,0,0,0,0|2,0,1]=4 198 B7R1.4 BrC1=C(Br)SC=C1 AC-13551 [0,1,0,0,0,0|2,1,0]=4 199 B7R1.4 BrC1=CNN=C1Br AC-76539 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.4 BrC1=COC=C1Br AC-27454 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.4 BrC1=CSC=C1Br AC-13150 [0,1,0,0,0,0|2,1,0]=4 202 B7R1.4 CC1=C(Br)C=CS1 AC-25294 [0,1,0,0,0,0|2,1,0]=4 203 B7R1.4 CC1=C(Br)C=NN1 AC-77463 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.4 CC1=C(C)OC=N1 AC-95517 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.4 CC1=C(Cl)SC=C1 AC-13378 [0,1,0,0,0,0|2,1,0]=4 206 B7R1.4 CC1=C(I)C=NN1 AC-56064 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.4 CC1=C(N)C=NO1 AC-89714 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.4 CC1=C(N)SC=C1 AC-85843 [0,1,0,0,0,0|2,1,0]=4 209 B7R1.4 CC1=C(N)SC=C1 AC-89988 [0,1,0,0,0,0|2,1,0]=4 210 B7R1.4 CC1=CC=NN1C AC-28545 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.4 CC1=CNN=C1N AC-44622 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 CC1=CON=C1N AC-42718 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.4 CC1=NNC=C1Br AC-15612 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.4 CC1=NOC=C1N AC-43260 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.4 CC1=NSC=C1N AC-89628 [0,1,0,0,0,0|2,1,0]=4 216 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,0,0,0|1,0,2]=4 217 B7R1.4 CN1N=CC=C1N AC-12728 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.4 CN1N=CC=C1O AC-72736 [0,1,0,0,0,0|2,0,1]=4 219 B7R1.4 CN1N=CC=C1O AC-95910 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.4 ClC1=CSC=C1Br AC-87609 [0,1,0,0,0,0|2,1,0]=4 221 B7R1.4 NC1=C(Br)C=NN1 AC-77441 [0,1,0,0,0,0|3,0,0]=4 222 B7R1.4 NC1=CNN=C1Br AC-84967 [0,1,0,0,0,0|3,0,0]=4 223 B7R1.4 NC1=NNC=C1Br AC-22517 [0,1,0,0,0,0|3,0,0]=4 224 B7R1.4 NC1=NNC=C1Cl AC-86381 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.4 NC1=NNC=C1Cl AC-91632 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.4 NC1=NOC=C1I AC-84739 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.4 NC1CONC1=O AC-79375 [0,1,0,0,0,0|1,0,2]=4 228 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,0,0,0|1,0,2]=4 229 B7R1.4 O=C1CCC=C1O AC-79761 [0,1,0,0,0,0|2,0,0]=3 230 B7R1.4 O=C1CCNC1=O AC-91977 [0,1,0,0,0,0|2,0,1]=4 231 B7R1.4 O=C1OCC=C1Br AC-89416 [0,1,0,0,0,0|1,0,0]=2 232 B7R1.14 O=S1(=O)C=CCO1 AC-77381 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.2 O=CNNC=O AC-57355 [0,0,1,0,0,0|3,0,0]=4 234 B5R1.2 O=C1CSC1 AC-80488 [0,0,0,0,1,0|1,1,1]=4 235 B7R1.3 BrC1=CC=CN=C1 AC-14273 [0,0,0,0,0,1|3,0,0]=4 236 B7R1.3 BrC1=CC=NC=C1 AC-11654 [0,0,0,0,0,1|3,0,0]=4 237 B7R1.3 BrC1=CCOCC1 AC-71793 [0,0,0,0,0,1|2,0,1]=4 238 B7R1.3 BrC1=NC=CC=C1 AC-41060 [0,0,0,0,0,1|3,0,0]=4 239 B7R1.3 BrC1=NC=CC=N1 AC-25502 [0,0,0,0,0,1|3,0,0]=4 240 B7R1.3 BrC1=NC=CN=C1 AC-33478 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 CC1=CC=NC=N1 AC-68983 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 CC1=CC=NN=C1 AC-40981 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 CC1=CN=CN=C1 AC-18360 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 CC1=NN=CC=C1 AC-61133 [0,0,0,0,0,1|3,0,0]=4 245 B7R1.3 ClC1=CC=CN=C1 AC-14280 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 ClC1=CC=NC=C1 AC-11610 [0,0,0,0,0,1|3,0,0]=4 247 B7R1.3 ClC1=CC=NC=N1 AC-26834 [0,0,0,0,0,1|3,0,0]=4 248 B7R1.3 ClC1=CC=NN=C1 AC-81359 [0,0,0,0,0,1|3,0,0]=4 249 B7R1.3 ClC1=NC=CC=N1 AC-11040 [0,0,0,0,0,1|3,0,0]=4 250 B7R1.3 ClC1=NN=CC=C1 AC-26768 [0,0,0,0,0,1|3,0,0]=4 251 B7R1.3 FC1=CC=CN=C1 AC-11680 [0,0,0,0,0,1|3,0,0]=4 252 B7R1.3 FC1=NC=CC=C1 AC-13973 [0,0,0,0,0,1|3,0,0]=4 253 B7R1.3 FC1=NC=CC=N1 AC-76412 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 FC1=NC=CN=C1 AC-29694 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 IC1=CC=CC=C1 AC-76747 [0,0,0,0,0,1|3,0,0]=4 256 B7R1.3 IC1=CC=CN=C1 AC-13782 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 IC1=NC=CN=C1 AC-23800 [0,0,0,0,0,1|3,0,0]=4 258 B7R1.3 NC1=CC=CN=C1 AC-22798 [0,0,0,0,0,1|3,0,0]=4 259 B7R1.3 NC1=CC=NC=C1 AC-15123 [0,0,0,0,0,1|3,0,0]=4 260 B7R1.3 NC1=CC=NC=N1 AC-22804 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 NC1=CC=NN=C1 AC-31473 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 NC1=NC=CC=C1 AC-22797 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 NC1=NC=CN=N1 AC-43966 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 NC1=NN=CC=C1 AC-31472 [0,0,0,0,0,1|3,0,0]=4 265 B7R1.3 O=C1C=CCCN1 AC-80994 [0,0,0,0,0,1|2,0,0]=3 266 B7R1.3 O=C1C=CN=CN1 AC-24037 [0,0,0,0,0,1|2,0,0]=3 267 B7R1.3 O=C1C=CNN=C1 AC-88675 [0,0,0,0,0,1|2,0,0]=3 268 B7R1.3 O=C1C=COC=C1 AC-87397 [0,0,0,0,0,1|1,0,0]=2 269 B7R1.3 O=C1CCOCC1 AC-15730 [0,0,0,0,0,1|1,0,2]=4 270 B7R1.3 OC1=CC=CN=C1 AC-41183 [0,0,0,0,0,1|2,0,1]=4 271 B7R1.3 OC1=CC=NC=C1 AC-31468 [0,0,0,0,0,1|2,0,1]=4 272 B7R1.3 OC1=CC=NC=N1 AC-63707 [0,0,0,0,0,1|2,0,1]=4 273 B7R1.3 OC1=CC=NN=C1 AC-80148 [0,0,0,0,0,1|2,0,1]=4 274 B7R1.3 OC1=NC=CC=C1 AC-15386 [0,0,0,0,0,1|2,0,1]=4 275 B7R1.3 OC1=NC=CC=N1 AC-44694 [0,0,0,0,0,1|2,0,1]=4 276 B7R1.3 OC1=NC=CC=N1 AC-65396 [0,0,0,0,0,1|2,0,1]=4 277 B7R1.3 OC1=NC=CN=C1 AC-40787 [0,0,0,0,0,1|2,0,1]=4 278 B4R0.1 CC(=O)NO AC-13161 [1,0,1,0,0,0|1,0,1]=4 279 B4R0.1 O=C(O)CO AC-77042 [1,0,1,0,0,0|0,0,1]=3 280 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,1,1,0,0,0|0,0,2]=4 281 B6R0.2 N=C(O)NC(N)=O AC-76846 [0,1,1,0,0,0|2,0,0]=4 282 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,1,1,0,0,0|1,0,1]=4 283 B8R1.2 O=CC1=CC=CN=C1 AC-24016 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.2 O=CC1=CC=NC=C1 AC-15288 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.2 O=CC1=CCCOC1 AC-28131 [0,1,0,0,0,1|1,0,1]=4 286 B8R1.2 O=CC1=NC=CC=C1 AC-24015 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.2 O=CC1=NC=CN=C1 AC-63783 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.3 CC1=CNC(=O)C=C1 AC-17066 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.3 CC1=NNC(=O)C=C1 AC-31618 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.3 O=C1C=CC(=O)N=N1 AC-85796 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.4 CC1=NC=CC(=O)N1 AC-31714 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.4 NC1=CC(=O)CCC1 AC-32464 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.4 NC1=CC(=O)NN=C1 AC-69310 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.4 NC1=CC=NC(=O)N1 AC-10666 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.4 O=C1C=C(Br)CCN1 AC-87554 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.4 O=C1C=C(I)C=NN1 AC-29989 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.4 O=C1C=C(O)CCN1 AC-80226 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.4 O=C1C=CNC(=O)N1 AC-76793 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.4 O=C1C=NNC(=O)N1 AC-10368 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.5 CN1C=CC=NC1=O AC-90939 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.5 O=C1C=CNC=C1F AC-91194 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.5 O=C1C=COC=C1O AC-71867 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.5 O=C1NN=CC=C1Cl AC-69312 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.5 O=C1OC=CC=C1O AC-80228 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.1 BrCC1=CC=C(Br)O1 AC-82472 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.1 CC1=CC(C#N)=NO1 AC-79340 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.1 CC1=CC(CBr)=NO1 AC-76495 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.1 CC1=CC(CCl)=NO1 AC-17450 [0,2,0,0,0,0|2,0,0]=4 309 B8R1.1 CC1=NC(C=O)=CO1 AC-31285 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.1 CCC1=NOC(N)=C1 AC-89811 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.1 CN1C=CC(C=O)=N1 AC-40897 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.1 ClCC1=CC(Br)=NO1 AC-39670 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.1 ClCC1=CC=C(Br)O1 AC-76278 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.1 N#CC1=CC=C(Br)O1 AC-85904 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.1 O=C1C=C(CBr)CO1 AC-39233 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.1 O=CC1=CC(Br)=CO1 AC-18437 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.1 O=CC1=CC(Cl)=CS1 AC-46216 [0,2,0,0,0,0|1,1,0]=4 318 B8R1.1 O=CC1=CC(F)=CN1 AC-86957 [0,2,0,0,0,0|2,0,0]=4 319 B8R1.1 O=CC1=CC(F)=CS1 AC-86846 [0,2,0,0,0,0|1,1,0]=4 320 B8R1.1 O=CC1=CC(I)=CN1 AC-81350 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.1 O=CC1=CC=C(Br)N1 AC-80870 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.1 O=CC1=CC=C(Br)S1 AC-25564 [0,2,0,0,0,0|1,1,0]=4 323 B8R1.1 O=CC1=CC=C(Cl)N1 AC-95825 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.1 O=CC1=CC=C(Cl)S1 AC-26948 [0,2,0,0,0,0|1,1,0]=4 325 B8R1.1 O=CC1=CC=C(F)S1 AC-88071 [0,2,0,0,0,0|1,1,0]=4 326 B8R1.1 O=CC1=CC=C(I)O1 AC-10619 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.1 O=CC1=CSC(Cl)=C1 AC-70111 [0,2,0,0,0,0|1,1,0]=4 328 B8R1.1 O=CC1=CSC(F)=C1 AC-91882 [0,2,0,0,0,0|1,1,0]=4 329 B8R1.1 O=CC1=CSC(I)=C1 AC-82473 [0,2,0,0,0,0|1,1,0]=4 330 B8R1.1 OCC1=CC(Br)=NO1 AC-39676 [0,2,0,0,0,0|1,0,1]=4 331 B8R1.1 OCC1=CC=C(Br)O1 AC-71056 [0,2,0,0,0,0|1,0,1]=4 332 B8R1.7 CC(=O)C1=CC=NN1 AC-75614 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.7 CC(=O)C1=CC=NN1 AC-87358 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.7 CC(=O)C1=CC=NN1 AC-93294 [0,2,0,0,0,0|2,0,0]=4 335 B8R1.7 CC(=O)C1=CSC=C1 AC-11311 [0,2,0,0,0,0|1,1,0]=4 336 B8R1.7 CC(=O)C1=NC=CO1 AC-32128 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.7 CC(=O)C1=NOC=C1 AC-30091 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.7 CC(C)C1=CC=CO1 AC-65204 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.7 N=C(N)C1=CC=CO1 AC-53373 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.7 NC(=O)C1=CNC=C1 AC-87815 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.7 O=C(O)C1=CC=CN1 AC-24039 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.7 O=C(O)C1=CC=CS1 AC-44639 [0,2,0,0,0,0|1,1,0]=4 343 B8R1.7 O=C(O)C1=CC=NN1 AC-24011 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.7 O=C(O)C1=CC=NN1 AC-77466 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.7 O=C(O)C1=CN=CO1 AC-40004 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.7 O=C(O)C1=CNC=C1 AC-45628 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.7 O=C(O)C1=CSC=C1 AC-13156 [0,2,0,0,0,0|1,1,0]=4 348 B8R1.7 O=C(O)C1C=CCO1 AC-94554 [0,2,0,0,0,0|1,0,1]=4 349 B8R1.7 O=C([O-])C1=NC=CO1 AC-92153 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.7 O=[N+]([O-])C1=CC=CS1 AC-13381 [0,2,0,0,0,0|1,1,0]=4 351 B8R1.7 O=[N+]([O-])C1=NNC=C1 AC-50271 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.8 CNCC1=CC=NO1 AC-86147 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.8 NCCC1=CC=CO1 AC-44898 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.8 O=CCC1=CC=CS1 AC-79856 [0,2,0,0,0,0|1,1,0]=4 355 B8R1.8 O\N=C\C1=CC=CO1 AC-76414 [0,2,0,0,0,0|1,0,1]=4 356 B8R1.11 CC1=C(C=O)C=CN1 AC-82540 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.11 CC1=C(C=O)C=CS1 AC-31904 [0,2,0,0,0,0|1,1,0]=4 358 B8R1.11 CC1=C(C=O)NC=C1 AC-87539 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.11 CC1=C(C=O)OC=N1 AC-42864 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.11 CC1=NOC=C1CN AC-94777 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.11 CN1N=CC=C1C=O AC-31589 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.11 NC1=C(C=O)SC=C1 AC-80955 [0,2,0,0,0,0|1,1,0]=4 363 B8R1.11 NN1C=CC=C1C=O AC-85985 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.11 O=CC1=C(Br)C=CN1 AC-89160 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.11 O=CC1=C(Br)C=CO1 AC-34260 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.11 O=CC1=C(Br)C=CS1 AC-18532 [0,2,0,0,0,0|1,1,0]=4 367 B8R1.11 O=CC1=C(F)C=CS1 AC-81447 [0,2,0,0,0,0|1,1,0]=4 368 B8R1.11 O=CC1=C(F)SC=C1 AC-94578 [0,2,0,0,0,0|1,1,0]=4 369 B8R1.11 O=CC1=C(I)C=NN1 AC-87404 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.11 O=CC1=CSC=C1F AC-93674 [0,2,0,0,0,0|1,1,0]=4 371 B8R1.18 CC1=C(C)OC(=O)O1 AC-13848 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.18 CC1=CC(=O)N(C)N1 AC-14066 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.18 CC1=CC(=O)N(C)N1 AC-81020 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.18 CC1=CC(=O)OC1=O AC-85403 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.18 CC1=CC(=O)OC1O AC-14034 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.18 CN1SC(Cl)=CC1=O AC-26171 [0,2,0,0,0,0|1,1,0]=4 377 B8R1.18 O=C1C=C(Br)C(=O)N1 AC-92051 [0,2,0,0,0,0|2,0,0]=4 378 B8R1.18 O=C1C=C(Br)C(=O)O1 AC-86708 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.50 CC1=C(C)C(N)=NO1 AC-28474 [0,2,0,0,0,0|2,0,0]=4 380 B8R1.50 CC1=NOC(C)=C1I AC-23428 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.50 CN1C(=O)C=CC1=O AC-83721 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.50 O=C1COC(=O)C1Br AC-87590 [0,2,0,0,0,0|1,0,1]=4