0 B7R0.4 C=CCCCC(=O)O HR110118 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 C=CCNCC(=O)O HR144457 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 C=CCNCC(=O)O HR146187 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 C=C\C=C\OC(C)=O HR141489 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.4 C\C=C\C=C\C(=O)[O-] HR124997 [0,0,0,0,0,0|0,0,1]=1 10 B7R0.4 C\C=C\C=C\C(=O)[O-] HR125264 [0,0,0,0,0,0|0,0,1]=1 11 B6R0.4 C=CCCC(=O)Cl HR106043 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 C=CCCC(=O)O HR128583 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 CCNCC(=O)O HR105131 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CCOCC(=O)O HR123178 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CC\C=C\B(O)O HR116587 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CNCCC(=O)O HR100194 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 O=CCCC(=O)O HR134907 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.6 CCC\C=C\CO HR127397 [1,0,0,0,0,0|0,0,3]=4 21 B6R0.6 CC\C=C\CCO HR100849 [1,0,0,0,0,0|0,0,3]=4 22 B6R0.6 CC\C=C\CCO HR130305 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,0,0,0,0|0,0,0]=1 24 B6R0.6 C\C=C\C=C\CO HR126927 [1,0,0,0,0,0|0,0,1]=2 25 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|0,0,3]=4 26 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|0,0,3]=4 27 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.6 C\C=C\C=C\C(=O)OC HR126101 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.9 COC(=O)\C=C\C(=O)[O-] HR129866 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.9 COC(=O)\C=C\C(=O)[O-] MOJB014 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.9 NNC(=O)\C=C\C(=O)O HR123077 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,1,0,0,0,0|0,0,1]=2 37 B8R0.28 CC(=O)OCC=C(C)C HR128839 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.28 CN(C)C\C=C\C(=O)O HR112008 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.28 CN(C)C\C=C\C(=O)O HR138898 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,0,0,1,0,0|2,1,0]=4 43 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.1 CCC1=CC=C(C)S1 HR107230 [0,0,0,1,0,0|1,1,1]=4 45 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [0,0,0,1,0,0|2,1,0]=4 46 B8R1.1 CSC1=CC=C(C)O1 HR132044 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.1 O=CC1=CC=C(Br)S1 HR132790 [0,0,0,1,0,0|2,1,0]=4 51 B8R1.1 O=CC1=CC=C(Cl)S1 HR104946 [0,0,0,1,0,0|2,1,0]=4 52 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.4 BrC1=CC(I)=CC=C1 HR135115 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 BrC1=CC=CC(Br)=C1 HR134993 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 BrC1=CC=CC(Br)=N1 LAXF01505 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 BrC1=NC(I)=CC=C1 HR113549 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 CC1=CC(Br)=CC=C1 HR147078 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 CC1=CC(Br)=NC=C1 HR1184 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.4 CC1=CC(Cl)=NC=C1 HR1192 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 CC1=CC(F)=NC=C1 HR1203 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 CC1=CC(I)=NC=C1 HR110692 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 CC1=CC(N)=NC=C1 HR146783 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.4 CC1=CC(O)=NC=C1 HR127276 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 CC1=CC=CC(=S)N1 HR116107 [0,0,0,1,0,0|1,1,0]=3 69 B8R1.4 CC1=CC=CC(Br)=N1 HR1139 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.4 CC1=CC=CC(C)=N1 HR146920 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.4 CC1=CC=CC(Cl)=N1 HR1194 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 CC1=CC=CC(F)=C1 HR147075 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 CC1=CC=CC(F)=N1 HR138536 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.4 CC1=CC=CC(I)=C1 HR130747 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.4 CC1=CC=CC(I)=N1 HR33220 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 CC1=CC=CC(N)=N1 HR126189 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.4 CC1=CC=CC(O)=N1 HR102304 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.4 CC1=CC=CC(O)=N1 HR123689 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.4 CC1=CC=C[N+]([O-])=C1 HR131855 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 CC1=CC=NC(=S)N1 HR134884 [0,0,0,1,0,0|2,1,0]=4 81 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 CC1=CN=CC(Br)=C1 HR4036 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 CC1=CN=CC(C)=N1 HR129129 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 CC1=CN=CC(Cl)=C1 HR109685 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 CC1=CN=CC(Cl)=N1 HR107821 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 CC1=CN=CC(F)=C1 HR137759 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 CC1=CN=CC(N)=C1 HR122715 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 CC1=CN=CC(N)=N1 HR106865 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 CC1=CN=CC(O)=C1 HR107413 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 CC1=NC(Br)=NC=C1 HR107042 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 CC1=NC(Cl)=NC=C1 HR6906 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.4 CC1=NC(N)=NC=C1 HR108556 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 CC1=NC(O)=NC=C1 HR130877 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.4 CC1=NC(O)=NC=C1 HR144704 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.4 CC1=NC(S)=NC=C1 HR143163 [0,0,0,1,0,0|2,1,0]=4 96 B8R1.4 CC1=NC=CC(Br)=C1 HR4035 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 CC1=NC=CC(Cl)=C1 HR138568 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 CC1=NC=CC(Cl)=N1 HR16387 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 CC1=NC=CC(F)=C1 HR112228 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 CC1=NC=CC(I)=C1 HR120740 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 CC1=NC=CC(N)=C1 HR123486 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.4 CC1=NC=CC(N)=N1 HR107859 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.4 CC1=NC=CC(O)=N1 HR112244 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.4 CC1=NC=CC(O)=N1 HR113416 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.4 C[N+]1=CC(Br)=CC=C1 HR150972 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.4 ClC1=CC(I)=CC=C1 HR125340 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.4 ClC1=CC=CC(Br)=C1 HR125599 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.4 ClC1=CC=CC(Br)=N1 HR9626 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.4 ClC1=CC=CC(Cl)=N1 HR125187 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.4 ClC1=NC(I)=CC=C1 HR152471 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 FC1=CC(I)=CC=C1 HR136349 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.4 FC1=CC=CC(Br)=C1 HR129141 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.4 FC1=CC=CC(Cl)=N1 HR116646 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.4 FC1=CC=CC(F)=C1 HR2308 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.4 FC1=CC=CC(F)=N1 HR9241 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 FC1=CC=CC(S)=C1 HR5429 [0,0,0,1,0,0|2,1,0]=4 118 B8R1.4 FC1=NC(Br)=CC=C1 HR139991 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.4 FC1=NC(Br)=CC=C1 HR14324 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 IC1=CC=CC(I)=C1 HR136610 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 IC1=CC=CC(I)=N1 HR146887 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 NC1=CC(Br)=CC=C1 HR146977 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.4 NC1=CC(Cl)=CC=C1 HR20239 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.4 NC1=CC(F)=CC=C1 HR150410 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.4 NC1=CC(I)=CC=C1 HR132893 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.4 NC1=CC(O)=NC=C1 HR120752 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.4 NC1=CC(O)=NC=C1 HR146873 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.4 NC1=CC=CC(=S)N1 HR112349 [0,0,0,1,0,0|2,1,0]=4 129 B8R1.4 NC1=CC=CC(N)=N1 HR114400 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.4 NC1=CC=CC(N)=N1 HR130188 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.4 NC1=CC=CC(O)=C1 HR150861 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.4 NC1=CC=CC(S)=C1 HR125939 [0,0,0,1,0,0|2,1,0]=4 133 B8R1.4 NC1=CN=CC(O)=C1 HR147901 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.4 NC1=CN=CC(O)=C1 HR6627 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.4 NC1=NC(=O)NC=C1 HR137595 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.4 NC1=NC(Br)=CC=C1 HR7663 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.4 NC1=NC(Cl)=CC=C1 HR9117 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.4 NC1=NC(F)=CC=C1 HR137984 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.4 NC1=NC(O)=CC=C1 HR106840 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.4 NC1=NC=CC(O)=C1 HR105068 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.4 NC1=NC=CC(O)=C1 HR6677 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.4 NC1=NC=CC(O)=N1 HR130931 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.4 O=C1C=C(F)C=CN1 HR116146 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.4 O=C1C=CC=C(Br)N1 HR32191 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 O=C1C=CNC(=O)N1 HR131339 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.4 O=C1C=CNC(=S)N1 HR128324 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.4 O=C1C=CNC(F)=C1 HR118051 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.4 OC1=CC(Br)=CC=C1 HR146769 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.4 OC1=CC(Br)=NC=C1 HR30422 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.4 OC1=CC(Cl)=CC=C1 HR147057 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.4 OC1=CC(Cl)=CN=C1 HR30408 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.4 OC1=CC(Cl)=NC=C1 HR2578 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.4 OC1=CC(F)=CC=C1 HR137861 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.4 OC1=CC(I)=CC=C1 HR135819 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.4 OC1=CC(O)=NC=C1 HR108969 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.4 OC1=CC(O)=NC=C1 HR132953 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.4 OC1=CC=CC(Cl)=N1 HR12988 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.4 OC1=CC=CC(F)=N1 HR117733 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.4 OC1=CC=CC(O)=C1 HR147710 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.4 OC1=CC=CC(O)=N1 HR118512 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.4 OC1=CC=CC(S)=C1 HR131802 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.4 OC1=CN=CC(Br)=C1 HR131420 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.4 OC1=CN=CC(F)=C1 HR6625 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.4 OC1=CN=CC(O)=C1 HR30319 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.4 OC1=NC(Cl)=CN=C1 HR148279 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.4 OC1=NC(Cl)=NC=C1 HR32643 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.4 OC1=NC=CC(Br)=C1 HR118544 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.4 OC1=NC=CC(Cl)=C1 HR112849 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.4 OC1=NC=CC(I)=C1 HR31945 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.4 SC1=CC(Br)=CC=C1 HR127811 [0,0,0,1,0,0|2,1,0]=4 171 B8R1.4 SC1=CC(Cl)=CC=C1 HR133383 [0,0,0,1,0,0|2,1,0]=4 172 B8R1.4 Sc1cccc(S)n1 HR102605 [0,0,0,1,0,0|2,1,0]=4 173 B8R1.4 [O-][N+]1=CC(O)=CC=C1 HR141596 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.7 CC(=O)C1=CC=CN1 HR125135 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.7 CC(=O)C1=CC=CO1 HR129914 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.7 CC(=O)C1=CC=NO1 HR112153 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.7 CC(=O)C1=CN=CN1 HR107179 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.7 CC(=O)C1=CNC=C1 HR132755 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.7 CC(=O)C1=CSC=C1 HR5220 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.7 CC(=O)C1=CSC=N1 HR106019 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.7 CC(=O)C1=NC=CN1 HR107500 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.7 CC(=O)C1=NC=CS1 HR125652 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.7 CC(=O)N1C=CC=N1 HR104365 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.7 CC(O)C1=CC=CO1 HR110830 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.7 N=C(N)c1cccs1 HR120103 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.7 NC(=O)C1=CC=NN1 HR109332 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.7 NC(=O)C1=CN=CS1 HR117462 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.7 NC(=O)C1=COC=N1 HR106401 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.7 NC(=O)C1=CSC=N1 HR119034 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.7 NC(=O)C1=NC=CS1 HR119681 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.7 NC(=S)C1=CC=CO1 HR109484 [0,0,0,1,0,0|2,1,0]=4 194 B8R1.7 NC(N)=C1C=CC=N1 HR110275 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.7 O=C(Cl)C1=CC=CS1 HR127265 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.7 O=C(Cl)C1=CSC=C1 HR129666 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.7 O=C(Cl)[C-]1C=CC=C1 HR129030 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.7 O=C(Cl)c1ccco1 HR144597 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.7 O=C(O)C1=CC=CN1 HR15698 [0,0,0,1,0,0|1,0,0]=2 200 B8R1.7 O=C(O)C1=CC=CO1 HR127796 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.7 O=C(O)C1=CC=CS1 HR126442 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.7 O=C(O)C1=CC=NN1 HR111763 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.7 O=C(O)C1=CC=NO1 HR8643 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.7 O=C(O)C1=CC=NS1 HR114219 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.7 O=C(O)C1=CN=CO1 HR102036 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.7 O=C(O)C1=CN=CS1 HR105502 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.7 O=C(O)C1=CNC=C1 HR105630 [0,0,0,1,0,0|1,0,1]=3 208 B8R1.7 O=C(O)C1=CNC=C1 HR137229 [0,0,0,1,0,0|1,0,1]=3 209 B8R1.7 O=C(O)C1=CNC=N1 HR30080 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.7 O=C(O)C1=CNN=C1 HR132070 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.7 O=C(O)C1=COC=C1 HR136364 [0,0,0,1,0,0|1,0,1]=3 212 B8R1.7 O=C(O)C1=COC=N1 HR30732 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.7 O=C(O)C1=CON=C1 HR8775 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.7 O=C(O)C1=CSC=C1 HR7735 [0,0,0,1,0,0|1,0,1]=3 215 B8R1.7 O=C(O)C1=CSC=N1 HR124693 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.7 O=C(O)C1=CSN=C1 HR133277 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.7 O=C(O)C1=CSN=N1 HR115612 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.7 O=C(O)C1=NC=CN1 HR122739 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.7 O=C(O)C1=NC=CS1 HR32050 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.7 O=C(O)C1=NNC=C1 HR133840 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.7 O=C(O)C1=NNN=C1 HR32384 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.7 O=C(O)C1=NOC=C1 HR146865 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.7 O=C(O)C1=NON=C1 HR118614 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.7 O=C(O)C1C=CCN1 HR105555 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.7 O=C(O)C1C=CCN1 HR117236 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.7 O=C(O)C1CC=CC1 HR137833 [0,0,0,1,0,0|0,0,2]=3 227 B8R1.7 O=C(O)[C-]1C=CC=C1 HR10724 [0,0,0,1,0,0|0,0,2]=3 228 B8R1.7 O=C([O-])C1=CC=CS1 HR120572 [0,0,0,1,0,0|1,0,1]=3 229 B8R1.7 O=C([O-])c1cccs1 HR114958 [0,0,0,1,0,0|1,0,1]=3 230 B8R1.7 O=[N+]([O-])C1=CC=CN1 HR148390 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.7 O=[N+]([O-])C1=CC=CS1 HR130250 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.7 OB(O)C1=CC=CN1 HR100825 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.7 OB(O)C1=CC=CO1 HR124782 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.7 OB(O)C1=CC=CS1 HR132369 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|1,0,2]=4 236 B5R0.1 C=CCC(=O)O HR124911 [2,0,0,0,0,0|0,0,1]=3 237 B5R0.1 C=CNC(C)=O HR112565 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 CC#CC(=O)O HR16226 [2,0,0,0,0,0|0,0,2]=4 239 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.1 C\C=C\B(O)O HR109070 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.1 C\C=C\C(=O)Cl HR100850 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 C\C=C\C(=O)Cl HR133043 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 O=C(O)\C=C\I HR145754 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|0,0,1]=3 246 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|0,0,1]=3 247 B7R0.3 COC(=O)\C=C\CBr HR131230 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.3 CO\C=C\C(=O)OC HR100409 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.3 CO\C=C\C(=O)OC HR123737 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.3 C\C=C\CC(=O)OC HR127455 [1,1,0,0,0,0|0,0,1]=3 251 B7R0.5 C=CCC(C)C(=O)O HR143156 [1,1,0,0,0,0|0,0,2]=4 252 B7R0.5 C=CCC(N)C(=O)O HR106860 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.5 C=CCC(N)C(=O)O HR119232 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.5 C=CCC(N)C(=O)O HR134381 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.5 C=CCC(N)C(=O)O HR136466 [1,1,0,0,0,0|0,0,2]=4 256 B7R0.5 C=CCC(N)C(=O)O HR138518 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,1,0,0,0,0|0,0,2]=4 261 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,1,0,0,0,0|1,0,1]=4 263 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.6 CC(C)=CC=C(C)C HR147224 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.6 CC(C)=CC=C(Cl)Cl HR111834 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,1,0,0,0,0|0,0,1]=3 267 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.6 NC(=O)\C=C\C(N)=O HR101772 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR100090 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR101400 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR108567 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR141890 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.1 CCCC\C=C\C=O HR129000 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.1 CC\C=C\C=C\C=O HR130022 [1,1,0,0,0,0|0,0,0]=2 282 B7R0.7 C=COC(=O)\C=C\C HR129020 [1,1,0,0,0,0|2,0,0]=4 283 B9R0.53 CC(C)=CC(=O)C=C(C)C HR30104 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,2,0,0,0,0|0,0,2]=4 285 B9R0.5 CCO\C=C\C(=O)OCC HR108713 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.5 CCO\C=C\C(=O)OCC HR12909 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [0,2,0,0,0,0|0,0,2]=4 288 B9R0.5 C\C=C\C=C\C(=O)OCC HR127341 [0,2,0,0,0,0|0,0,0]=2 289 B9R0.24 COC(=O)\C=C\C(=O)OC HR129494 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.24 COC(=O)\C=C\C(=O)OC HR138660 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.2 C\C=C\C=C\COC(C)=O HR141589 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.48 CCNC(=O)\C=C\C(=O)O HR104340 [0,2,0,0,0,0|0,0,1]=3 293 B9R0.48 CCOC(=O)\C=C\C(=O)Cl HR144452 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] HR129266 [0,2,0,0,0,0|0,0,2]=4 295 B9R0.48 CCOC(=O)\C=C\C(C)=O HR117323 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.55 O=C(O)\C=C\C=C\C(=O)O HR126359 [0,2,0,0,0,0|0,0,1]=3 297 B9R0.7 C=C(C)C(=O)NCC(=O)O HR119988 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.42 COC(=O)CC(=O)C(=O)O HR32427 [0,2,0,0,0,0|1,0,1]=4 299 B7R1.2 CC1=CC=C(Br)O1 HR117458 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.2 CC1=CC=C(Br)S1 HR138580 [1,0,0,1,0,0|1,1,0]=4 301 B7R1.2 CC1=CC=C(C)N1 HR127998 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.2 CC1=CC=C(C)S1 HR126900 [1,0,0,1,0,0|1,1,0]=4 303 B7R1.2 CC1=CC=C(Cl)S1 HR122756 [1,0,0,1,0,0|1,1,0]=4 304 B7R1.2 CC1=CC=C(I)S1 HR103673 [1,0,0,1,0,0|1,1,0]=4 305 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|0,0,1]=3 306 B7R1.2 CC1=CN=C(N)O1 HR115333 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.2 CC1=NNC(=O)O1 HR134101 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.2 O=C1C=CC(=O)N1 HR130748 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.2 O=C1C=CC(=O)O1 HR146919 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.3 BrC1=NC=CC=C1 RESA03406 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 CC1=CC=CC=C1 HR141847 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 CC1=NC=CC=C1 HR147066 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 Cc1ccccn1 HR136839 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 ClC1=NC=CC=C1 HR13200 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 FC1=CC=CC=C1 HR147055 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.3 FC1=NC=CC=C1 HR1094 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.3 IC1=CC=CC=C1 HR127846 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.3 IC1=NC=CC=C1 HR126390 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 NC1=CC=CC=C1 HR145297 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.3 NC1=CC=CC=C1 SESA05504 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.3 NC1=NC=CC=C1 HR146971 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.3 O=C1C=CC=NN1 HR137023 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.3 OC1=CC=CN=C1 HR133674 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 OC1=CC=NC=C1 HR133943 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 OC1=NC=CC=C1 HR104705 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.3 OC1=NC=CC=C1 HR133405 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.3 OC1=NC=CC=N1 HR127441 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.3 OC1=NC=CN=C1 HR119328 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.3 OC1=NC=NC=C1 HR102860 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.3 OC1=NC=NC=C1 HR130946 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.3 OC1=NC=NC=C1 HR146538 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.3 Oc1ccccc1 HR122962 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.3 PC1=CC=CC=C1 HR104634 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.3 SC1=NC=CC=C1 HR115477 [1,0,0,1,0,0|1,1,0]=4 336 B7R1.3 SC1=NC=CC=C1 HR136528 [1,0,0,1,0,0|1,1,0]=4 337 B7R1.3 [Li]C1=CC=CC=C1 INSA03510 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.3 [S-]C1=CC=CC=C1 HR111290 [1,0,0,1,0,0|1,1,0]=4 339 B7R1.3 [Si]C1=CC=CC=C1 HR144112 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.1 C=CC1=CC=CS1 HR127371 [1,0,0,1,0,0|0,1,1]=4 341 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,1,0,0|0,0,1]=3 342 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,1,0,0|0,1,1]=4 343 B7R1.1 CNC1=CN=CO1 HR119721 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,1,0,0|1,1,0]=4 345 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,1,0,0|1,1,0]=4 346 B7R1.1 N#CC1=CC=CO1 HR105593 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.1 O=CC1=CC=CN1 HR133248 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.1 O=CC1=CC=CO1 HR147284 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.1 O=CC1=CCSC1 HR113279 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.1 O=CC1=CN=CO1 HR120030 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.1 O=CC1=CN=CS1 HR127222 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.1 O=CC1=CNC=C1 HR129921 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.1 O=CC1=CNC=N1 HR30081 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.1 O=CC1=COC=C1 HR125211 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.1 O=CC1=COC=N1 HR107552 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.1 O=CC1=CSC=C1 HR126177 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.1 O=CC1=CSC=N1 HR31792 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.1 O=CC1=NC=CN1 HR137026 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.1 O=CC1=NC=CO1 HR119983 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.1 O=CC1=NC=CS1 HR136906 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.1 O=CC1=NNC=C1 HR114992 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.1 O=CC1=NOC=C1 HR109323 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.1 O=C[C-]1C=CC=C1 HR128771 [1,0,0,1,0,0|0,0,2]=4 364 B7R1.1 O=Cc1cccs1 HR125923 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.1 OCC1=CC=CO1 HR147620 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.1 OCC1=CC=CS1 HR136423 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.4 CC1=C(Br)C=CS1 HR128369 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.4 CC1=C(Br)SC=C1 HR5191 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.4 CC1=C(S)C=CO1 HR127105 [1,0,0,1,0,0|1,1,0]=4 371 B7R1.4 CC1=C(S)C=CO1 HR138863 [1,0,0,1,0,0|1,1,0]=4 372 B7R1.4 CC1=C(S)C=CS1 HR109926 [1,0,0,1,0,0|1,1,0]=4 373 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|0,0,2]=4 374 B7R1.4 CC1=CSC=C1Br HR30444 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.4 CC1=CSC=C1C HR112647 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.4 CC1=CSC=C1N HR106606 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.4 CN1N=CC=C1O HR119356 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.4 CN1SC=CC1=O HR137410 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.4 OC1=CSC=C1O HR121295 [1,0,0,1,0,0|2,0,0]=4 380 B9R1.13 O=C(Cl)CC1=CC=CS1 HR125660 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.13 O=C(O)CC1=CC=CO1 HR17310 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.13 O=C(O)CC1=CC=CS1 HR125405 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.13 O=C(O)CC1=CN=CN1 OSXM01601 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.13 O=C(O)CC1=CNC=N1 HR112872 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.13 O=C(O)CC1=CSC=C1 HR143350 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.13 O=C(O)CC1=CSC=N1 HR112091 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.13 O=C(O)Cc1nccs1 HR148328 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.34 CC1=CC(=O)C=C(C)O1 HR130901 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.34 CC1=CC(=O)NC(=O)N1 HR138369 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.34 CC1=CC(=O)NC(C)=C1 HR31747 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.34 CC1=CC(=O)NC(O)=C1 HR107482 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.34 CC1=CC(=S)NC(=O)N1 HR115216 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HR136144 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.34 CC1=CC(Br)=CC(Br)=N1 HR30715 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.34 CC1=CC(Br)=CC(C)=N1 HR115742 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 HR32696 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.34 CC1=CC(Br)=CC(F)=C1 HR128264 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.34 CC1=CC(Br)=CC(N)=N1 HR118060 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.34 CC1=CC(Br)=NC(C)=C1 HR128572 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.34 CC1=CC(C)=CC(Br)=C1 HR136698 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.34 CC1=CC(C)=CC(Cl)=C1 HR110356 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.34 CC1=CC(C)=CC(I)=C1 HR116946 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.34 CC1=CC(C)=CC(S)=C1 HR144518 [0,1,0,1,0,0|1,1,0]=4 404 B9R1.34 CC1=CC(C)=NC(C)=C1 HR124242 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.34 CC1=CC(C)=NC(O)=N1 HR135077 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.34 CC1=CC(Cl)=CC(C)=N1 HR112668 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 HR31998 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 HR136833 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.34 CC1=CC(Cl)=CC(N)=N1 HR116155 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.34 CC1=CC(Cl)=NC(C)=C1 HR3919 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.34 CC1=CC(F)=CC(F)=C1 HR132252 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.34 CC1=CC(I)=CC(F)=C1 HR114076 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.34 CC1=CC(I)=CC(F)=N1 HR148317 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.34 CC1=CC(N)=CC(Br)=C1 HR115603 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.34 CC1=CC(N)=CC(Br)=N1 HR30716 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.34 CC1=CC(N)=CC(C)=N1 HR117343 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.34 CC1=CC(N)=CC(Cl)=C1 HR142592 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.34 CC1=CC(N)=CC(Cl)=N1 HR30321 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.34 CC1=CC(N)=CC(F)=C1 HR1537 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.34 CC1=CC(N)=NC(C)=C1 HR135129 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.34 CC1=CC(O)=CC(Br)=C1 HR4137 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.34 CC1=CC(O)=CC(C)=N1 HR127510 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.34 CC1=CC(O)=CC(Cl)=C1 HR32695 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.34 CC1=CC(O)=CC(Cl)=N1 HR30623 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.34 CC1=CC(O)=CC(F)=C1 HR139881 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.34 CC1=CC(O)=CC(N)=C1 HR109574 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.34 CC1=CC(O)=CC(O)=C1 HR129647 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.34 CC1=CC(O)=CC(O)=N1 HR147218 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.34 CC1=CC(O)=CC(O)=N1 HR22295 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.34 CC1=NC(C)=NC(O)=C1 HR128644 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.34 CC1=NC(O)=CC(O)=N1 HR138637 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.34 CC1=NC(O)=CC(O)=N1 HR146547 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.34 Cc1cc(C)cc(F)c1 HR135765 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.34 Cc1cc(N)cc(Br)c1 HR117875 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.34 Cc1cc(O)cc(=O)o1 HR125347 [0,1,0,1,0,0|0,0,0]=2 436 B9R1.34 NC1=CC(Br)=CC(O)=C1 HR32073 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.34 NC1=CC(O)=CC(O)=C1 HR147471 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.34 OC1=CC(Br)=CC(Br)=C1 HR117124 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.34 OC1=CC(Br)=CC(Cl)=C1 HR116841 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.34 OC1=CC(Br)=CC(F)=C1 HR131189 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.34 OC1=CC(Br)=CC(I)=C1 HR113511 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 HR3699 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.34 OC1=CC(Cl)=CC(F)=C1 HR31588 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.34 OC1=CC(Cl)=CC(I)=C1 HR142997 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.34 OC1=CC(F)=CC(F)=C1 HR1496 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.34 OC1=CC(O)=CC(Br)=C1 HR105089 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.34 OC1=CC(O)=CC(F)=C1 HR154591 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.34 OC1=CC(O)=CC(O)=C1 HR103820 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.41 CC(=O)C1=C(Br)C=CS1 HR102323 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.41 CC(=O)C1=C(C)C=CS1 HR129084 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.41 CC(=O)C1=C(C)N=CS1 HR31788 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.41 CC(=O)C1=C(C)ON=C1 HR113914 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.41 CC(=O)C1=C(I)C=CS1 HR33593 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.41 CC(=O)C1=C(N)C=CS1 HR115009 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.41 CC(=O)C1=C(O)C=CO1 HR140273 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.41 CC(=O)C1=CC=CN1C HR129125 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.41 CC(=O)C1=CC=NN1C HR114706 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.41 CC(=O)C1=CNC=C1C HR32413 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.41 CC1=C(B(O)O)C=CS1 HR151422 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.41 CC1=C(B(O)O)SC=C1 HR31112 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.41 CC1=C(C(=O)Cl)C=NO1 HR135851 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.41 CC1=C(C(=O)Cl)SC=C1 HR144159 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.41 CC1=C(C(=O)O)C=CO1 HR104389 [0,1,0,1,0,0|0,0,0]=2 464 B9R1.41 CC1=C(C(=O)O)C=CS1 HR147298 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.41 CC1=C(C(=O)O)C=NO1 HR124906 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.41 CC1=C(C(=O)O)N=CO1 HR116832 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.41 CC1=C(C(=O)O)N=CS1 HR119592 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.41 CC1=C(C(=O)O)N=NN1 HR32542 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.41 CC1=C(C(=O)O)OC=C1 HR121818 [0,1,0,1,0,0|0,0,0]=2 470 B9R1.41 CC1=C(C(=O)O)OC=N1 HR121800 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.41 CC1=C(C(=O)O)ON=C1 HR118698 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.41 CC1=C(C(=O)O)SC=C1 HR5182 [0,1,0,1,0,0|0,0,0]=2 473 B9R1.41 CC1=C(C(=O)O)SC=N1 HR137164 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.41 CC1=C(C(N)=O)SC=C1 HR121381 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.41 CC1=CNC=C1C(=O)O HR107857 [0,1,0,1,0,0|0,0,0]=2 476 B9R1.41 CC1=CON=C1C(=O)O HR146391 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.41 CC1=CSC=C1B(O)O HR120920 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.41 CC1=CSC=C1C(=O)O HR148659 [0,1,0,1,0,0|0,0,0]=2 479 B9R1.41 CC1=NNC=C1C(=O)O HR102640 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.41 CC1=NOC=C1C(=O)O HR10465 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.41 CC1=NSC=C1C(=O)O HR108273 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.41 CN1C=CC=C1C(=O)Cl HR120185 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.41 CN1C=CC=C1C(=O)O HR111519 [0,1,0,1,0,0|0,0,0]=2 484 B9R1.41 CN1C=CN=C1C(=O)O HR133854 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.41 CN1C=NC=C1C(=O)O HR124587 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.41 CN1N=CC=C1C(=O)O HR120656 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.41 CN1N=NC=C1C(=O)O HR33629 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.41 Cc1nnsc1C(=O)O HR119945 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.41 Cn1cncc1C(=O)Cl HR104336 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.41 NC(=O)C1=C(N)SC=C1 HR111107 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.41 NC(=O)C1=CC=CN1N HR118097 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.41 NC1=C(C(=O)O)C=CS1 HR102515 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.41 NC1=C(C(=O)O)SC=C1 HR105708 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.41 NC1=NNC=C1C(=O)O HR105188 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.41 O=C(Cl)C1=C(Br)C=CS1 HR122002 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 HR108404 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.41 O=C(O)C1=C(Br)C=CO1 HR119730 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.41 O=C(O)C1=C(Br)C=CS1 HR10096 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.41 O=C(O)C1=C(Br)SC=C1 HR30652 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.41 O=C(O)C1=C(Br)SC=N1 HR110071 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.41 O=C(O)C1=C(Cl)C=CS1 HR5491 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.41 O=C(O)C1=C(Cl)C=NN1 HR106785 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.41 O=C(O)C1=C(Cl)N=CS1 HR117739 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.41 O=C(O)C1=C(Cl)SC=C1 HR30654 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.41 O=C(O)C1=C(F)C=CS1 HR104080 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.41 O=C(O)C1=C(F)SC=C1 HR120890 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.41 O=C(O)C1=C(I)C=NN1 HR148428 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.41 O=C(O)C1=C(O)C=CS1 HR117989 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.41 O=C(O)C1=CSC=C1Br HR31808 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.41 O=C(O)C1=CSN=C1Cl HR117427 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.41 O=C(O)C1=NNC=C1Br HR118061 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.1 C=CC1=CC=C(O)C=C1 HR132206 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.1 CCC1=CC=C(O)C=C1 HR3874 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.1 CCC1=CN=C(O)C=C1 HR110137 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.1 CNC1=CC=C(O)C=C1 HR142548 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.1 COC1=CC=C(O)C=C1 HR2276 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.1 COC1=CC=C(O)C=N1 HR32560 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.1 CSC1=CC=C(O)C=C1 FEJL01902 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.1 O=CC1=CC=C(O)C=C1 RAXM01505 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.1 O=CC1=CN=C(O)C=C1 HR135720 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.1 O=CC1=NC=C(O)C=C1 HR32603 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.2 BrCC1=CC(Br)=CC=C1 HR122516 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.2 BrCC1=CC(I)=CC=C1 HR112540 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.2 BrCC1=CC=CC(Br)=N1 HR102510 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.2 C#CC1=CC(O)=CC=C1 HR118790 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.2 C#CC1=CC=CC(C)=C1 HR139871 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.2 CC1=CC(C=O)=CC=C1 HR128890 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.2 CC1=CC(C=O)=CN=C1 HR121509 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.2 CC1=CC(C=O)=NC=C1 HR130135 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.2 CC1=CC(NN)=CC=C1 HR118305 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.2 CC1=CC([Mg]Br)=CC=C1 HR121856 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.2 CC1=CC=CC(C#N)=C1 HR147064 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.2 CC1=CC=CC(C#N)=N1 HR125912 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.2 CC1=CC=CC(C=O)=N1 HR135669 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.2 CC1=CC=CC(CBr)=C1 HR132756 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.2 CC1=CC=CC(CBr)=N1 HR138125 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.2 CC1=CC=CC(CCl)=C1 HR132041 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.2 CC1=CC=CC(CCl)=N1 HR117937 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.2 CC1=CC=CC(CN)=C1 HR134990 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.2 CC1=CC=CC(CN)=N1 HR105915 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.2 CC1=CC=CC(CO)=C1 HR138128 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.2 CC1=CC=CC(CO)=N1 HR20959 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.2 CC1=CC=CC(CS)=C1 HR119173 [0,1,0,1,0,0|1,1,0]=4 544 B9R1.2 CC1=CC=CC(NN)=C1 HR128310 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.2 CC1=CC=CC(NN)=N1 HR145919 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.2 CC1=CN=CC(CO)=C1 HR103480 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.2 CC1=NC=CC(C=O)=C1 HR136587 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.2 CC1=NC=CC(C=O)=N1 HR121597 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.2 CC1=NC=CC(CO)=C1 HR120041 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.2 CCC1=CC=CC(Br)=C1 HR140648 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.2 CCC1=CC=CC(Cl)=C1 HR105116 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.2 CCC1=CC=CC(N)=C1 HR117646 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.2 CCC1=CC=CC(N)=N1 HR111426 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.2 CCC1=CC=CC(O)=C1 HR132582 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.2 CNC1=CC(Br)=CC=C1 HR109153 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.2 CNC1=CC(Cl)=CC=C1 HR9202 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.2 CNC1=CC(F)=CC=C1 HR102295 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.2 CNC1=CC=CC(C)=C1 HR128472 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.2 CNC1=CC=CC(N)=C1 HR113475 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.2 CNC1=CC=CC(O)=C1 HR31869 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.2 CNC1=NC(Cl)=CC=C1 HR139033 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.2 COC1=CC(C)=CC=C1 HR135808 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.2 COC1=CC(C)=CN=C1 HR104484 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.2 COC1=CC(F)=CC=C1 HR129426 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.2 COC1=CC(O)=NC=C1 HR117471 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.2 COC1=CC=CC(Br)=C1 HR136293 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.2 COC1=CC=CC(Br)=N1 HR136250 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.2 COC1=CC=CC(Cl)=C1 HR123852 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.2 COC1=CC=CC(Cl)=N1 HR136204 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.2 COC1=CC=CC(I)=C1 HR139943 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.2 COC1=CC=CC(I)=N1 HR32677 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.2 COC1=CC=CC(N)=N1 HR12919 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.2 COC1=CC=CC(O)=C1 HR134507 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.2 COC1=CC=CC(S)=C1 HR122562 [0,1,0,1,0,0|1,1,0]=4 575 B9R1.2 COC1=CN=CC(O)=C1 HR106001 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.2 COC1=NC(C)=CC=C1 HR130037 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.2 COC1=NC(C)=CN=C1 HR124217 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.2 COC1=NC(C)=NC=C1 HR146475 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.2 COC1=NC=CC(C)=C1 HR138011 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.2 COC1=NC=CC(O)=C1 HR143478 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.2 COC1=NC=CC(O)=N1 HR112117 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.2 CSC1=CC(Br)=CC=C1 PRXM00601 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.2 CSC1=CC(Cl)=CC=C1 HR154063 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.2 CSC1=CC(F)=CC=C1 HR139303 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.2 CSC1=CC(N)=CC=C1 HR10635 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.2 CSC1=CC=CC(Br)=N1 HR31868 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.2 CSC1=CC=CC(C)=C1 HR140264 [0,1,0,1,0,0|1,1,0]=4 588 B9R1.2 CSC1=CC=CC(I)=C1 HR139126 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.2 CSC1=CN=CC(O)=C1 HR152980 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.2 CSC1=NC=CC(=O)N1 HR138000 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.2 Cc1cccc([Mg]Cl)c1 HR108627 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.2 ClC1=CC=CC(CBr)=C1 HR132227 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.2 ClC1=CC=CC(CBr)=N1 HR153010 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.2 ClCC1=CC(Br)=CC=C1 HR141825 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.2 ClCC1=CC(Cl)=CC=C1 HR131510 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.2 ClCC1=CC=CC(Cl)=N1 HR103245 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.2 FC1=CC=CC(CBr)=C1 HR122719 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.2 FC1=CC=CC(CCl)=C1 HR133938 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.2 N#CC1=CC(O)=CC=C1 HR105267 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.2 NC1=CC=CC(CO)=C1 HR135100 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.2 NC1=CC=CC(CO)=N1 HR108688 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.2 NCC1=CC(Br)=CC=C1 HR122489 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.2 NCC1=CC(Br)=CC=C1 HR123871 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.2 NCC1=CC(Cl)=CC=C1 HR135363 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.2 NCC1=CC(F)=CC=C1 HR138534 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.2 NCC1=CC(I)=CC=C1 HR106172 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.2 NCC1=CC(I)=CC=C1 HR124334 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.2 NCC1=CC(N)=CC=C1 HR125229 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.2 NCC1=CC=CC(O)=C1 HR116688 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.2 NCC1=NC(Br)=CC=C1 HR120166 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.2 Nc1cccc(C=O)c1 HR113736 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.2 Nc1cccc(C=O)c1 HR134302 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.2 O=CC1=CC(=O)NC=C1 HR128615 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.2 O=CC1=CC(Br)=CC=C1 HR3728 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.2 O=CC1=CC(Cl)=CC=C1 HR10800 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.2 O=CC1=CC(F)=CC=C1 HR130202 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.2 O=CC1=CC(I)=CC=C1 HR3917 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.2 O=CC1=CC(O)=CC=C1 EMSA06901 [0,1,0,1,0,0|1,0,1]=4 619 B9R1.2 O=CC1=NC(Br)=CC=C1 HR127431 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.2 O=CC1=NC(Cl)=CC=C1 HR13323 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.2 O=CC1=NC(F)=CC=C1 HR127979 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.2 OCC1=CC(Br)=CC=C1 HR135241 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.2 OCC1=CC(Cl)=CC=C1 HR130178 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.2 OCC1=CC(F)=CC=C1 HR132286 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.2 OCC1=CC(I)=CC=C1 HR143741 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.2 OCC1=CC(O)=CC=C1 HR133941 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.2 OCC1=NC(Br)=CC=C1 HR127705 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.2 OCC1=NC(Cl)=CC=C1 HR101923 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.2 OCc1cccc(Cl)n1 HR110468 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.2 ONC1=CC(Cl)=CC=C1 HR119158 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.3 CC1=C(Br)C(=O)NC=C1 HR118768 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.3 CC1=C(Br)C(F)=CC=C1 HR127981 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.3 CC1=C(Cl)C(F)=CC=C1 HR109538 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.3 CC1=C(F)C(Br)=CC=C1 HR136489 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.3 CC1=C(F)C(Cl)=CC=C1 HR30030 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.3 CC1=C(F)C(F)=CC=C1 HR130913 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.3 CC1=C(I)C(Cl)=CC=C1 HR146563 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.3 CC1=C(I)C(F)=CC=C1 HR4552 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.3 CC1=C(N)C(N)=CC=C1 HR130988 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.3 CC1=C(O)C(=O)C=CO1 CAJB01101 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.3 CC1=C(O)C(F)=NC=C1 HR155748 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.3 CC1=C(O)C(O)=CC=C1 HR124937 [0,1,0,1,0,0|0,0,1]=3 643 B9R1.3 CC1=C(O)C=CC=C1Br HR148540 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.3 CC1=C(O)C=CC=C1Cl HR102436 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.3 CC1=C(O)C=CC=C1F HR131115 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.3 CC1=C(O)C=CC=C1N HR108690 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.3 CC1=C(O)C=CC=C1O HR15385 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.3 CC1=CC=CC(Br)=C1Cl HR34024 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.3 CC1=CC=CC(Br)=C1N HR117711 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.3 CC1=CC=CC(Br)=C1O HR102690 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.3 CC1=CC=CC(C)=C1Br HR101199 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.3 CC1=CC=CC(C)=C1Cl HR142380 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.3 CC1=CC=CC(C)=C1I HR108685 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.3 CC1=CC=CC(C)=C1N AMJB00602 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.3 CC1=CC=CC(C)=C1O HR147229 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.3 CC1=CC=CC(C)=C1S HR129260 [0,1,0,1,0,0|1,1,0]=4 657 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] HR136794 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.3 CC1=CC=CC(Cl)=C1Br HR32249 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.3 CC1=CC=CC(Cl)=C1Cl HR127284 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.3 CC1=CC=CC(Cl)=C1N HR130694 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.3 CC1=CC=CC(F)=C1C HR107039 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.3 CC1=CC=CC(F)=C1N HR4470 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.3 CC1=CC=CC(I)=C1C HR112829 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.3 CC1=CC=CC(I)=C1F HR113977 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.3 CC1=CC=CC(N)=C1Br HR115554 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.3 CC1=CC=CC(N)=C1F HR130894 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.3 CC1=CC=CC(N)=C1O HR131375 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.3 CC1=CC=CC(O)=C1Cl HR34010 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.3 CC1=CC=CC(O)=C1F HR4120 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.3 CC1=CC=CC(O)=C1I HR31960 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.3 CC1=CC=CC(O)=C1N HR139748 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.3 CC1=CC=CC(S)=C1C HR6883 [0,1,0,1,0,0|1,1,0]=4 673 B9R1.3 CN1C(=O)C=CC=C1Br HR32269 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.3 CN1C=CC=C(Br)C1=O HR32186 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.3 CN1C=CC=C(N)C1=O HR111508 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.3 Cc1cccc(C)c1F HR135719 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.3 Cc1cccc(Cl)c1C HR112477 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.3 NC1=C(O)C(Br)=CC=C1 HR132257 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.3 NC1=C(O)C(Cl)=CC=C1 HR109818 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.3 NC1=C(O)C(F)=CC=C1 HR106790 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.3 NC1=C(O)C=CC=C1Br HR32071 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.3 NC1=C(O)C=CC=C1Cl HR31673 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.3 NC1=C(O)C=CC=C1F HR32066 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.3 NC1=C(O)C=CC=C1O HR107621 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.3 NC1=C(O)C=CC=C1O HR134655 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.3 NC1=CC=CC(O)=C1N HR130050 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.3 OC1=C(Br)C(F)=CC=C1 HR128037 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.3 OC1=C(Br)C=CC=C1Br HR136831 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.3 OC1=C(Br)C=CC=C1Cl HR30599 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.3 OC1=C(Br)C=CC=C1F HR1487 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.3 OC1=C(Br)C=CC=C1I HR30316 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.3 OC1=C(Cl)C(Br)=CC=C1 HR101591 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.3 OC1=C(Cl)C(Br)=CC=C1 HR16946 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.3 OC1=C(Cl)C(F)=CC=C1 HR9615 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.3 OC1=C(Cl)C=CC=C1F HR2853 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.3 OC1=C(Cl)C=CC=C1I HR30252 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.3 OC1=C(F)C(Br)=CC=C1 HR110378 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.3 OC1=C(F)C(Cl)=CC=C1 HR2855 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.3 OC1=C(F)C(F)=CC=C1 HR129170 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.3 OC1=C(F)C(I)=CC=C1 HR31693 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.3 OC1=C(F)C=CC=C1F HR128598 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.3 OC1=C(F)C=CC=C1I HR104284 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.3 OC1=C(I)C(Br)=CC=C1 HR33537 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.3 OC1=C(I)C(Cl)=CC=C1 HR32112 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.3 OC1=C(I)C(F)=CC=C1 HR32107 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.3 OC1=CC=CC(Br)=C1O HR32763 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.3 OC1=CC=CC(Cl)=C1O HR30584 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.3 OC1=CC=CC(F)=C1O HR4142 [0,1,0,1,0,0|1,0,1]=4 709 B9R1.3 OC1=CC=CC(O)=C1Br HR33240 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.3 OC1=CC=CC(O)=C1Cl HR30583 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.3 OC1=CC=CC(O)=C1F HR4141 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.3 OC1=CC=CC(O)=C1I HR33587 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.3 OC1=CC=CC(O)=C1O HR133068 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.5 O=c1cccccc1O HR122352 [0,1,0,1,0,0|0,0,1]=3 715 B9R1.11 CCC(=O)C1=CC=CN1 HR132813 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.11 CCC(=O)C1=CC=CS1 HR133080 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.11 COC(=O)C1=CC=CN1 HR9141 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.11 COC(=O)C1=CC=CO1 HR131617 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.11 COC(=O)C1=CC=CS1 HR136865 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.11 COC(=O)C1=CC=NO1 HR111692 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.11 COC(=O)C1=CN=CO1 HR116929 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.11 COC(=O)C1=CN=CS1 HR129872 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.11 COC(=O)C1=CNC=C1 HR143383 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.11 COC(=O)C1=CNC=N1 HR16142 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.11 COC(=O)C1=COC=C1 HR119891 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.11 COC(=O)C1=CSC=C1 HR118922 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.11 COC(=O)C1=CSC=N1 HR121624 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.11 COC(=O)C1=NC=CS1 HR101832 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.11 COC(=O)C1=NNC=C1 HR116380 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.11 COC(=O)C1CC=CC1 HR136788 [0,1,0,1,0,0|0,0,2]=4 731 B9R1.11 NCC(=O)c1cccs1 HR114373 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.11 NNC(=O)C1=CC=CN1 HR120604 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.11 NNC(=O)C1=CC=CO1 HR110093 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.11 NNC(=O)C1=CC=CS1 HR126704 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.11 N\C(=N/O)c1cccs1 HR115705 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.11 O=C(CBr)C1=CC=CO1 HR107121 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.11 O=C(CBr)C1=CC=CS1 HR135660 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.21 CCC1=CC=C(C=O)O1 HR139104 [0,1,0,1,0,0|0,0,1]=3 739 B9R1.21 CCC1=CC=C(C=O)S1 HR108183 [0,1,0,1,0,0|0,1,1]=4 740 B9R1.21 COC1=CC=C(OC)O1 HR140929 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.21 CSC1=CC=C(C=O)S1 HR116975 [0,1,0,1,0,0|1,1,0]=4 742 B9R1.21 O=CC1=CC=C(C=O)O1 HR135279 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.21 O=CC1=CC=C(C=O)S1 HR130129 [0,1,0,1,0,0|1,1,0]=4 744 B9R1.21 O=CC1=CC=C(CCl)O1 HR104578 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.21 O=CC1=CC=C(CO)O1 HR127118 [0,1,0,1,0,0|1,0,1]=4 746 B9R1.49 O=C1C=CC(=O)O[Fe]O1 HR131540 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.49 O=C1C=CC(=O)O[Mg]O1 HR101146 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.79 COC(=O)C=C1COC1 HR112146 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.6 CC(=O)C1=CC=CC=C1 HR133334 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.6 CC(=O)C1=CC=CN=C1 HR124857 [0,1,0,1,0,0|1,0,1]=4 751 B9R1.6 CC(=O)C1=CC=NC=C1 HR122177 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.6 CC(=O)C1=NC=CC=C1 HR124589 [0,1,0,1,0,0|1,0,1]=4 753 B9R1.6 CC(=O)C1=NC=CC=N1 HR110657 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.6 CC(=O)C1=NC=CN=C1 HR124333 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.6 CC(=O)C1=NC=NC=C1 HR32056 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.6 NC(=O)C1=CC=CC=C1 HR127325 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.6 NC(=O)C1=CC=CN=C1 HR135206 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.6 NC(=O)C1=CC=NC=C1 HR133425 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.6 NC(=O)C1=NC=CC=C1 HR138372 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.6 NC(=O)C1=NC=CN=C1 HR134410 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.6 O=C(Br)C1=CC=CC=C1 HR144111 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.6 O=C(Cl)C1=CC=CN=C1 HR140923 [0,1,0,1,0,0|1,0,1]=4 763 B9R1.6 O=C(Cl)C1=CC=NC=C1 HR122948 [0,1,0,1,0,0|1,0,1]=4 764 B9R1.6 O=C(Cl)C1=CN=CC=C1 HR130926 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.6 O=C(Cl)C1=NC=CC=C1 HR125180 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.6 O=C(O)C1=CC=CC=C1 HR137266 [0,1,0,1,0,0|0,0,1]=3 767 B9R1.6 O=C(O)C1=CC=CN=N1 HR128841 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.6 O=C(O)C1=CC=NC=C1 HR135466 [0,1,0,1,0,0|0,0,1]=3 769 B9R1.6 O=C(O)C1=CCCCC1 HR127974 [0,1,0,1,0,0|0,0,2]=4 770 B9R1.6 O=C(O)C1=CN=CC=C1 HR124368 [0,1,0,1,0,0|0,0,1]=3 771 B9R1.6 O=C(O)C1=CN=CN=C1 HR134099 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.6 O=C(O)C1=CN=NC=C1 HR133810 [0,1,0,1,0,0|1,0,1]=4 773 B9R1.6 O=C(O)C1=NC=CC=C1 DOXF02207 [0,1,0,1,0,0|0,0,1]=3 774 B9R1.6 O=C(O)C1=NC=CC=N1 HR9603 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.6 O=C(O)C1=NC=CN=C1 HR124199 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.6 O=C(O)C1=NC=NC=C1 HR5297 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.6 O=C(O)C1CC=CCC1 HR11032 [0,1,0,1,0,0|0,0,2]=4 778 B9R1.6 O=C(O)C1CC=CCC1 HR139596 [0,1,0,1,0,0|0,0,2]=4 779 B9R1.6 O=C(O)C1CC=CCC1 HR144350 [0,1,0,1,0,0|0,0,2]=4 780 B9R1.6 O=C(O)C1CC=CCN1 HR146186 [0,1,0,1,0,0|0,0,2]=4 781 B9R1.6 O=C(O)c1ccccc1 HR133705 [0,1,0,1,0,0|0,0,1]=3 782 B9R1.6 O=C([O-])C1=CC=CC=C1 HR105037 [0,1,0,1,0,0|0,0,2]=4 783 B9R1.6 O=C([O-])C1=CC=CC=C1 HR110458 [0,1,0,1,0,0|0,0,2]=4 784 B9R1.6 O=C([O-])C1=CC=CC=C1 HR135303 [0,1,0,1,0,0|0,0,2]=4 785 B9R1.6 O=C([O-])C1=CC=CC=C1 HR135516 [0,1,0,1,0,0|0,0,2]=4 786 B9R1.6 O=S(O)C1=CC=CC=C1 HR117415 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.6 O=[PH](O)C1=CC=CC=C1 HR124788 [0,1,0,1,0,0|1,0,1]=4 788 B9R1.6 O=[Se](O)C1=CC=CC=C1 HR127583 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.6 OC(=S)C1=CC=CC=C1 HR123025 [0,1,0,1,0,0|0,1,1]=4 790 B9R1.23 O=CC1=CC(Br)=C(Br)O1 HR121297 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.35 CC(=O)C1=CC(Br)=CS1 HR114607 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.35 CC(=O)C1=CC(C)=CS1 HR145098 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.35 CC(=O)C1=CC(Cl)=CS1 AVCQ00601 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.35 CC(=O)C1=CC=C(Br)O1 HR119214 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.35 CC(=O)C1=CC=C(Br)S1 HR131579 [0,1,0,1,0,0|1,1,0]=4 796 B9R1.35 CC(=O)C1=CC=C(C)S1 HR122220 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR117664 [0,1,0,1,0,0|1,1,0]=4 798 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR147236 [0,1,0,1,0,0|1,1,0]=4 799 B9R1.35 CC(=O)C1=CSC(C)=N1 HR113169 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.35 CC1=CC(C(=O)O)=NO1 HR130137 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.35 CC1=CC=C(B(O)O)O1 HR109427 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.35 CC1=CC=C(B(O)O)S1 HR119689 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.35 CC1=CC=C(C(=O)Cl)O1 HR111826 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.35 CC1=CC=C(C(=O)O)O1 HR105468 [0,1,0,1,0,0|0,0,0]=2 805 B9R1.35 CC1=CC=C(C(=O)O)S1 HR134654 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.35 CC1=CN=C(C(=O)O)N1 HR109185 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.35 CC1=CN=C(C(=O)O)S1 HR114450 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.35 CC1=CNC(C(=O)O)=C1 HR104056 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.35 CC1=CSC(C(=O)O)=C1 HR134914 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.35 CC1=CSC(C(=O)O)=N1 HR123032 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.35 CC1=NC(C(=O)O)=CN1 HR147293 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.35 CC1=NC(C(=O)O)=CO1 HR102577 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.35 CC1=NC(C(=O)O)=CO1 HR146838 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.35 CC1=NC(C(=O)O)=CS1 HR104874 [0,1,0,1,0,0|1,0,0]=3 815 B9R1.35 CC1=NC=C(C(=O)O)S1 HR22287 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.35 CC1=NNC(C(=O)O)=C1 HR7842 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.35 CC1=NOC(C(=O)O)=C1 HR107329 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.35 CN1C=C(C(=O)O)C=N1 HR111412 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.35 CN1C=CC(C(=O)O)=C1 HR30231 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.35 CN1C=CC(C(=O)O)=N1 HR116008 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.35 CN1C=NC(C(=O)O)=C1 HR30085 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.35 NC(=O)C1=CC=C(Br)S1 HR121688 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.35 NC1=CC(C(=O)O)=NN1 HR108421 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.35 NC1=CN=C(C(=O)O)N1 HR105223 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.35 NC1=CNC(C(=O)O)=C1 HR108887 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.35 NC1=NC(C(=O)O)=CO1 HR119910 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.35 NC1=NC(C(=O)O)=CS1 HR131745 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.35 NC1=NC(C(=O)O)=CS1 HR146613 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.35 NC1=NC=C(C(=O)O)S1 HR121685 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.35 NC1C=CC(C(=O)O)C1 HR105341 [0,1,0,1,0,0|0,0,2]=4 831 B9R1.35 Nc1csc(C(=O)O)c1 HR107780 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 HR10452 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 HR34175 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.35 O=C(O)C1=CC(Br)=CN1 HR103852 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.35 O=C(O)C1=CC(Br)=CO1 HR106979 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.35 O=C(O)C1=CC(Br)=CS1 HR132530 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.35 O=C(O)C1=CC(Br)=NO1 HR110522 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.35 O=C(O)C1=CC(Cl)=CS1 HR107238 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.35 O=C(O)C1=CC(Cl)=NO1 HR114203 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.35 O=C(O)C1=CC(F)=CS1 HR121831 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.35 O=C(O)C1=CC(O)=NO1 HR114834 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.35 O=C(O)C1=CC=C(Br)S1 HR7368 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.35 O=C(O)C1=CC=C(Cl)O1 HR109565 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HR34174 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.35 O=C(O)C1=CC=C(F)S1 HR101950 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.35 O=C(O)C1=CN=C(Br)S1 HR126707 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.35 O=C(O)C1=CN=C(Cl)S1 HR103202 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.35 O=C(O)C1=COC(Cl)=N1 HR112780 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.35 O=C(O)C1=CSC(Br)=N1 HR109996 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.35 O=C(O)C1=CSC(Cl)=C1 HR107559 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.35 O=C(O)C1=CSC(Cl)=N1 HR108171 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.35 O=C(O)C1=NC(Br)=CS1 HR105768 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.35 O=C(O)C1=NNC(Cl)=C1 HR109554 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.35 O=C(O)c1ccc(Br)o1 HR129600 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.69 CC1=C(Br)C=C(O)C=C1 HR31942 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.69 CC1=C(Br)C=CC(Br)=C1 HR137401 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 HR131858 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.69 CC1=C(Br)C=CC(F)=C1 HR122797 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.69 CC1=C(Br)C=CC(I)=C1 HR107543 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.69 CC1=C(Br)C=CC(N)=C1 HR125379 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.69 CC1=C(Br)C=CC(N)=N1 HR129359 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.69 CC1=C(Br)C=CC(O)=C1 HR32031 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.69 CC1=C(Br)N=CC(O)=C1 HR34016 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.69 CC1=C(C)C=C(Br)C=C1 HR146976 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.69 CC1=C(C)C=C(Cl)C=C1 HR143529 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.69 CC1=C(C)C=C(F)C=C1 HR129824 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.69 CC1=C(C)C=C(I)C=C1 HR126918 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.69 CC1=C(C)C=C(O)C=C1 HR154713 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.69 CC1=C(C)C=C(S)C=C1 HR144805 [0,1,0,1,0,0|1,1,0]=4 870 B9R1.69 CC1=C(C)N=C(N)C=C1 HR139308 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.69 CC1=C(C)N=C(O)C=N1 HR33192 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.69 CC1=C(Cl)C=C(O)C=C1 HR107695 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 HR135484 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.69 CC1=C(Cl)C=CC(F)=C1 HR133427 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.69 CC1=C(Cl)C=CC(I)=C1 HR3653 [0,1,0,1,0,0|2,0,0]=4 876 B9R1.69 CC1=C(Cl)C=CC(N)=C1 HR130079 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.69 CC1=C(Cl)C=CC(N)=N1 HR100468 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.69 CC1=C(Cl)N=CC(O)=C1 HR118788 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.69 CC1=C(F)C=C(O)C=C1 HR123808 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.69 CC1=C(F)C=CC(Br)=C1 HR126063 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.69 CC1=C(F)C=CC(Br)=N1 HR1135 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.69 CC1=C(F)C=CC(Cl)=C1 HR125548 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.69 CC1=C(F)C=CC(Cl)=N1 HR6219 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.69 CC1=C(F)C=CC(F)=C1 HR129314 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.69 CC1=C(F)C=CC(I)=C1 HR135435 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.69 CC1=C(F)C=CC(N)=C1 HR1513 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.69 CC1=C(F)C=CC(N)=N1 HR144158 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.69 CC1=C(F)C=CC(O)=C1 HR123540 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.69 CC1=C(I)C=C(O)C=C1 HR153876 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.69 CC1=C(I)C=CC(Br)=C1 HR141239 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.69 CC1=C(I)C=CC(Cl)=C1 HR139304 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.69 CC1=C(I)C=CC(F)=C1 HR102145 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.69 CC1=C(I)C=CC(F)=C1 HR114752 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.69 CC1=C(I)C=CC(O)=C1 HR147441 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.69 CC1=C(N)C=C(O)C=C1 HR139454 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.69 CC1=C(N)C=CC(Br)=C1 HR122139 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.69 CC1=C(N)C=CC(Br)=N1 HR137508 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.69 CC1=C(N)C=CC(Cl)=C1 HR132644 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.69 CC1=C(N)C=CC(F)=C1 HR131690 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.69 CC1=C(N)C=CC(F)=N1 HR132770 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.69 CC1=C(N)C=CC(I)=C1 HR105853 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.69 CC1=C(O)C=C(Br)C=C1 HR4132 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.69 CC1=C(O)C=C(Cl)C=C1 HR143829 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.69 CC1=C(O)C=C(F)C=C1 HR30155 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.69 CC1=C(O)C=C(I)C=C1 HR154066 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.69 CC1=C(O)C=C(O)C=C1 HR31937 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.69 CC1=C(O)C=CC(Br)=C1 HR7106 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.69 CC1=C(O)C=CC(Cl)=C1 HR137146 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.69 CC1=C(O)C=CC(F)=C1 HR123040 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.69 CC1=C(O)C=CC(N)=C1 HR133687 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.69 CC1=C(O)C=CC(O)=C1 HR100450 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.69 CC1=C(S)C=CC(F)=C1 HR141571 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.69 CC1=CC(=O)C=CC1=O HR138433 [0,1,0,1,0,0|1,0,0]=3 914 B9R1.69 CC1=CC(=O)NC=C1Br HR122796 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.69 CC1=CC(Br)=C(Br)C=C1 HR114393 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.69 CC1=CC(Br)=C(C)C=C1 HR108754 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 HR123229 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.69 CC1=CC(Br)=C(F)C=C1 HR1600 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.69 CC1=CC(Br)=C(I)C=C1 HR154163 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.69 CC1=CC(Br)=C(N)C=C1 HR124218 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.69 CC1=CC(Br)=C(O)C=C1 HR136243 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.69 CC1=CC(C)=C(Br)C=C1 SPXF01306 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.69 CC1=CC(C)=C(I)C=C1 HR109163 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.69 CC1=CC(C)=C(N)C=C1 HR147082 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.69 CC1=CC(C)=C(S)C=C1 HR34171 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 HR122455 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.69 CC1=CC(Cl)=C(C)C=C1 HR100328 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 HR147323 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.69 CC1=CC(Cl)=C(F)C=C1 HR131984 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.69 CC1=CC(Cl)=C(I)C=C1 HR139398 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.69 CC1=CC(Cl)=C(N)C=C1 HR2472 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.69 CC1=CC(Cl)=C(O)C=C1 HR31963 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.69 CC1=CC(F)=C(Br)C=C1 HR1604 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.69 CC1=CC(F)=C(Cl)C=C1 HR131457 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.69 CC1=CC(F)=C(F)C=C1 HR1615 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.69 CC1=CC(F)=C(I)C=C1 HR113664 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.69 CC1=CC(F)=C(N)C=C1 HR127329 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.69 CC1=CC(F)=C(O)C=C1 HR153448 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.69 CC1=CC(I)=C(Br)C=C1 HR153893 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.69 CC1=CC(I)=C(Cl)C=C1 HR154049 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.69 CC1=CC(I)=C(F)C=C1 HR113344 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.69 CC1=CC(I)=C(N)C=C1 HR5353 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.69 CC1=CC(N)=C(Br)C=C1 HR4337 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.69 CC1=CC(N)=C(Cl)C=C1 HR134667 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.69 CC1=CC(N)=C(F)C=C1 HR123516 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.69 CC1=CC(N)=C(I)C=C1 HR20232 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.69 CC1=CC(N)=C(N)C=C1 HR131785 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.69 CC1=CC(N)=C(O)C=C1 HR135753 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.69 CC1=CC(O)=C(Br)C=C1 HR153447 [0,1,0,1,0,0|1,0,0]=3 950 B9R1.69 CC1=CC(O)=C(C)C=C1 HR147008 [0,1,0,1,0,0|1,0,0]=3 951 B9R1.69 CC1=CC(O)=C(F)C=C1 HR31579 [0,1,0,1,0,0|1,0,0]=3 952 B9R1.69 CC1=CC(O)=C(N)C=C1 HR127266 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.69 CC1=CC(O)=CC=C1N HR130163 [0,1,0,1,0,0|1,0,0]=3 954 B9R1.69 CC1=CC(O)=CN=C1F HR6320 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.69 CC1=CC(S)=C(C)C=C1 HR136062 [0,1,0,1,0,0|1,1,0]=4 956 B9R1.69 CC1=CC(S)=C(N)C=C1 HR111845 [0,1,0,1,0,0|1,1,0]=4 957 B9R1.69 CC1=CC=C(Br)C(C)=N1 HR129847 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 HR1286 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.69 CC1=CC=C(Br)C(F)=N1 HR6256 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.69 CC1=CC=C(Br)C(N)=N1 HR132509 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.69 CC1=CC=C(Br)C(O)=N1 HR33570 [0,1,0,1,0,0|1,0,0]=3 962 B9R1.69 CC1=CC=C(C)C(N)=N1 HR111739 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 HR118142 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.69 CC1=CC=C(F)C(Br)=N1 HR123856 [0,1,0,1,0,0|2,0,0]=4 965 B9R1.69 CC1=CC=C(F)C(Cl)=N1 HR131463 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.69 CC1=CC=C(F)N=C1C HR152686 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.69 CC1=CC=C(I)C(N)=N1 HR143963 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.69 CC1=CC=C(N)C(Br)=N1 HR138047 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.69 CC1=CC=C(N)C(C)=N1 HR142085 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.69 CC1=CC=C(N)C(Cl)=N1 HR1245 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.69 CC1=CC=C(N)C(F)=N1 HR123255 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.69 CC1=CC=C(N)C(N)=N1 HR102375 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.69 CC1=CC=C(N)C=C1O HR123833 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.69 CC1=CC=C(O)C(Br)=N1 HR109939 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.69 CC1=CC=C(O)C(C)=N1 HR129321 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.69 CC1=CC=C(O)C(F)=N1 HR105544 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.69 CC1=CC=C(O)C(I)=N1 HR145101 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.69 CC1=CC=C(O)C(N)=N1 HR33373 [0,1,0,1,0,0|2,0,0]=4 979 B9R1.69 CC1=CC=C(O)C(O)=C1 HR127858 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.69 CC1=CN=C(Br)C(O)=C1 HR146453 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.69 CC1=CN=C(Cl)C(O)=C1 HR6141 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.69 CC1=CN=C(F)C(O)=C1 HR152598 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.69 CC1=NC(Br)=CC=C1Br HR3580 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.69 CC1=NC(Cl)=CC=C1Br HR114169 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.69 CC1=NC(Cl)=CC=C1I HR108573 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.69 CC1=NC(Cl)=CC=C1N HR1246 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.69 CC1=NC(Cl)=CC=C1O HR152955 [0,1,0,1,0,0|2,0,0]=4 988 B9R1.69 CC1=NC(F)=CC=C1Br HR127494 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.69 CC1=NC(F)=CC=C1I HR105022 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.69 CC1=NC(F)=CC=C1O HR152684 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.69 CC1=NC(I)=CC=C1Br HR153026 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.69 CC1=NC(N)=CC=C1I HR103716 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.69 CC1=NC(O)=CC=C1Br HR142500 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.69 CC1=NC=C(Br)C(O)=N1 HR147480 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.69 CC1=NC=C(F)C(O)=N1 HR148591 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.69 CC1=NC=C(N)C(=O)N1 HR131927 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.69 Cc1cc(S)ccc1O HR129040 [0,1,0,1,0,0|1,1,0]=4 998 B9R1.69 Cc1ccc(N)c(C)c1 HR101309 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.69 Cc1ccc(N)c(N)c1 HR142499 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.69 Cc1nc(Br)ccc1O HR152628 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.69 NC1=C(Br)C=C(O)C=C1 HR140801 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.69 NC1=C(Br)C=CC(O)=C1 HR114550 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.69 NC1=C(Cl)C=C(O)C=C1 HR102053 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.69 NC1=C(Cl)C=C(O)C=C1 HR136287 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.69 NC1=C(Cl)C=CC(O)=C1 HR114982 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.69 NC1=C(F)C=C(O)C=C1 HR124483 [0,1,0,1,0,0|2,0,0]=4 1007 B9R1.69 NC1=C(F)C=CC(O)=C1 HR4776 [0,1,0,1,0,0|2,0,0]=4 1008 B9R1.69 NC1=C(O)C=C(Br)C=C1 HR32069 [0,1,0,1,0,0|2,0,0]=4 1009 B9R1.69 NC1=C(O)C=C(Cl)C=C1 HR123831 [0,1,0,1,0,0|2,0,0]=4 1010 B9R1.69 NC1=C(O)C=C(F)C=C1 HR124119 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.69 NC1=C(O)C=C(O)C=C1 HR32213 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.69 NC1=CC(O)=C(Cl)C=C1 HR129565 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.69 O=C1C=CC(=O)C(Br)=C1 HR104214 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.69 O=C1C=CC(=O)C(Cl)=C1 HR140079 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.69 O=C1NC(Cl)=CC=C1Br HR33389 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.69 OC1=C(Br)C=CC(Br)=C1 HR108927 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 HR109259 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.69 OC1=C(Br)C=CC(F)=C1 HR1964 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.69 OC1=C(Br)C=CC(I)=C1 HR112265 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 HR1476 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.69 OC1=C(Cl)C=CC(F)=C1 HR2146 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.69 OC1=C(Cl)C=CC(I)=C1 HR3651 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.69 OC1=C(F)C=CC(Br)=C1 HR1490 [0,1,0,1,0,0|2,0,0]=4 1024 B9R1.69 OC1=C(F)C=CC(Cl)=C1 HR32141 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.69 OC1=C(F)C=CC(F)=C1 HR123777 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.69 OC1=C(F)C=CC(I)=C1 HR115137 [0,1,0,1,0,0|2,0,0]=4 1027 B9R1.69 OC1=C(I)C=CC(Br)=C1 HR32754 [0,1,0,1,0,0|2,0,0]=4 1028 B9R1.69 OC1=C(I)C=CC(Cl)=C1 HR9582 [0,1,0,1,0,0|2,0,0]=4 1029 B9R1.69 OC1=C(I)C=CC(F)=C1 HR30564 [0,1,0,1,0,0|2,0,0]=4 1030 B9R1.69 OC1=C(I)C=CC(I)=C1 HR31858 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.69 OC1=CC(Br)=C(Br)C=C1 HR31670 [0,1,0,1,0,0|2,0,0]=4 1032 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 HR3595 [0,1,0,1,0,0|2,0,0]=4 1033 B9R1.69 OC1=CC(Br)=C(F)C=C1 HR1486 [0,1,0,1,0,0|2,0,0]=4 1034 B9R1.69 OC1=CC(Br)=C(O)C=C1 HR121957 [0,1,0,1,0,0|2,0,0]=4 1035 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 HR3597 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.69 OC1=CC(Cl)=C(F)C=C1 HR124622 [0,1,0,1,0,0|2,0,0]=4 1037 B9R1.69 OC1=CC(Cl)=C(I)C=C1 HR31866 [0,1,0,1,0,0|2,0,0]=4 1038 B9R1.69 OC1=CC(Cl)=C(O)C=C1 HR132139 [0,1,0,1,0,0|2,0,0]=4 1039 B9R1.69 OC1=CC(F)=C(Br)C=C1 HR146618 [0,1,0,1,0,0|2,0,0]=4 1040 B9R1.69 OC1=CC(F)=C(Cl)C=C1 HR30588 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.69 OC1=CC(F)=C(F)C=C1 HR129675 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.69 OC1=CC(F)=C(I)C=C1 HR30394 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.69 OC1=CC(F)=C(O)C=C1 HR16452 [0,1,0,1,0,0|2,0,0]=4 1044 B9R1.69 OC1=CC(I)=C(F)C=C1 HR32114 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.69 OC1=CC(O)=C(Br)C=C1 HR123804 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.69 OC1=CC(O)=C(Cl)C=C1 HR136882 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.69 OC1=CC(O)=C(F)C=C1 HR32121 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.69 OC1=CC(S)=C(O)C=C1 HR123609 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.69 OC1=CC=C(Br)C=C1O HR147420 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.69 OC1=CC=C(F)C=C1O HR136472 [0,1,0,1,0,0|2,0,0]=4 1051 B9R1.69 OC1=CC=C(O)C(O)=C1 HR131310 [0,1,0,1,0,0|2,0,0]=4 1052 B9R1.19 O=S(=O)(O)C1=CC=CN1 HR107118 [0,1,0,1,0,0|2,0,0]=4