0 B8R1.8 BrCCC1=CC=CS1 F20027 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CCNC1=NN=CO1 AT18792 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CC=NN1 27042 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CNCC1=CC=NN1 AT10969 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CNCC1=CN=CS1 71400 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.8 CNCC1=CSC=C1 AT16803 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 CNCC1=CSC=N1 AT10976 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CNCC1=CSC=N1 AT14743 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 CNCC1=NC=CN1 W10149 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=NC=CS1 AT10974 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.8 CNCC1=NNC=C1 F31265 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 CNCC1=NOC=C1 AT10962 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 COCC1=NC=CN1 P10070 [0,0,0,0,0,0|2,1,0]=3 14 B8R1.8 COCC1=NNC=N1 AT12266 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.8 ClCCC1=CNC=N1 D82567 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 N#CCC1=CN=CS1 97777 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.8 N#CCC1=NC=CN1 F17294 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 N#CCN1C=CC=C1 F50604 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 NCCC1=CN=CN1 S10979 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 NCCC1=COC=N1 AT18667 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 NCCC1=NC=CS1 F51904 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.8 NCCC1=NNC=C1 AC2815 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 NCCN1C=CC=N1 AT10968 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 NNCC1=CC=CS1 P10519 [0,0,0,0,0,0|2,1,0]=3 26 B8R1.8 NNCC1=CSC=C1 P10771 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 O=CCC1=CC=CS1 O10539 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.8 O=CCC1=NC=CS1 D88143 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.8 O=CCC1=NN=CO1 W10330 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 BrCC1=CN=CS1 70967 [1,0,0,0,0,0|2,1,0]=4 31 B7R1.1 BrCC1=CNC=N1 AT15560 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 BrCC1=COC=N1 F13651 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 BrCC1=CSC=N1 70966 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 CCC1=NN=CN1 AT12320 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.1 CNC1=NN=CO1 AT18791 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.1 ClCC1=CN=CS1 F13827 [1,0,0,0,0,0|2,1,0]=4 41 B7R1.1 ClCC1=CNC=N1 70851 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 ClCC1=COC=N1 C16353 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 ClCC1=CSC=C1 AT17055 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 ClCC1=NC=CN1 35198 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 ClCC1=NC=CS1 AC6679 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.1 ClCC1=NN=CO1 C90532 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 ClCN1C=CC=N1 79341 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 NCC1=CC=NN1 P10323 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 NCC1=CC=NS1 AT13366 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 NCC1=COC=C1 61502 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 NCC1=NN=CO1 AT18772 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,0,0|1,1,0]=3 57 B7R1.1 OCC1=CC=NN1 H11417 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 OCC1=NC=CN1 D72609 [1,0,0,0,0,0|2,1,0]=4 59 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,0,0|0,1,0]=2 60 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,0,0|2,1,0]=4 61 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,1,0,0,0,0|2,1,0]=4 62 B9R1.7 CC1=NC=C(CC#N)O1 AT18729 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.7 CNCC1=CC(C)=NO1 C15741 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,1,0,0,0,0|1,1,0]=3 69 B9R1.7 CNCC1=CNC(Br)=C1 F13038 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,1,0,0,0,0|2,1,0]=4 72 B9R1.7 CNCC1=NN(C)C=C1 AT14334 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.7 CNCC1=NN=C(C)O1 AT18776 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.7 COCC1=CN=C(N)S1 C77468 [0,1,0,0,0,0|1,2,0]=4 75 B9R1.7 COCC1=CSC(N)=N1 80901 [0,1,0,0,0,0|2,1,0]=4 76 B9R1.7 CSCC1=NN=C(S)O1 AT18830 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.7 N#CCC1=CC=C(Cl)S1 AC8046 [0,1,0,0,0,0|2,1,0]=4 78 B9R1.7 NNCC1=CC=C(Cl)S1 P10520 [0,1,0,0,0,0|2,1,0]=4 79 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [0,1,0,0,0,0|1,0,1]=3 80 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,1,0,0,0,0|2,1,0]=4 87 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,1,0,0,0,0|2,1,0]=4 88 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,1,0,0,0,0|2,1,0]=4 90 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.12 CNCCC1=CN=CN1 D86292 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,1,0,0,0,0|1,1,0]=3 95 B9R1.12 NCCCC1=NC=CN1 F10426 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.33 CNCC1=CN=CN1C AT15467 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.33 CNCC1=NC=CN1C AT15623 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.33 CNCC1=NSC=C1Br D80074 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.33 N#CCC1=C(Cl)C=CS1 AT16887 [0,1,0,0,0,0|2,1,0]=4 113 B7R0.1 C=CC\C=C\CCC T72633 [0,0,1,0,0,0|2,0,1]=4 114 B9R2.2 C1=CSC(C2CC2)=N1 95281 [0,0,0,1,0,0|2,1,0]=4 115 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,0,0,1,0,0|3,0,0]=4 116 B9R2.3 C1=CC2=C(CNC2)O1 91178 [0,0,0,1,0,0|1,0,0]=2 117 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,0,0,1,0,0|2,1,0]=4 118 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.8 CNCC1=CN=CN=C1 38577 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.8 CNCC1=NC=CC=N1 27199 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.8 CNCC1=NC=CC=N1 72796 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,0,0,0,0,1|2,0,0]=3 126 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.8 FCCC1=CC=CC=C1 75534 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.8 NCCC1=NC=CC=N1 83201 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,0,0,0,0,1|2,0,1]=4 141 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,0,0,0,0,1|2,0,1]=4 142 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|1,0,1]=4 143 B6R1.2 CC1=CN=CO1 C77581 [2,0,0,0,0,0|1,0,0]=3 144 B6R1.2 CC1=NC=CO1 O10838 [2,0,0,0,0,0|1,0,0]=3 145 B6R1.2 CC1=NSC=C1 AC6637 [2,0,0,0,0,0|2,0,0]=4 146 B6R1.2 ClC1=NC=CO1 F20650 [2,0,0,0,0,0|2,0,0]=4 147 B6R1.2 NC1=CC=CS1 44128 [2,0,0,0,0,0|1,1,0]=4 148 B6R1.2 NC1=CC=CS1 F10359 [2,0,0,0,0,0|1,1,0]=4 149 B6R1.2 SC1=NC=CO1 AT18533 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.1 BrCC1=CC(Br)=NO1 69283 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.1 BrCC1=CC=C(Br)O1 55253 [1,1,0,0,0,0|1,0,0]=3 152 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [1,1,0,0,0,0|1,1,0]=4 153 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.1 CC1=CN=C(CN)O1 P18975 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.1 CC1=CN=C(CO)O1 AT18512 [1,1,0,0,0,0|1,1,0]=4 156 B8R1.1 CC1=COC(C#N)=C1 AT17407 [1,1,0,0,0,0|1,0,1]=4 157 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,1,0,0,0,0|0,1,0]=3 158 B8R1.1 CC1=NC=C(CCl)O1 C77476 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.1 CC1=NC=C(CO)O1 F12980 [1,1,0,0,0,0|1,1,0]=4 160 B8R1.1 CC1=NOC(CN)=C1 A10590 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,1,0,0,0,0|0,1,0]=3 162 B8R1.1 CCC1=CN=C(Br)S1 56511 [1,1,0,0,0,0|1,1,0]=4 163 B8R1.1 CCC1=CN=C(S)S1 E72343 [1,1,0,0,0,0|1,1,0]=4 164 B8R1.1 CCC1=CSC(Br)=N1 32166 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 CCC1=NN(C)C=C1 C91459 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 CCC1=NN=C(N)O1 VT1414 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.1 CCC1=NN=C(O)O1 AT18768 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.1 CCN1C=C(I)C=N1 77861 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 CCN1C=CC(O)=N1 AT14005 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,1,0,0,0,0|0,2,0]=4 177 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [1,1,0,0,0,0|1,1,0]=4 178 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [1,1,0,0,0,0|1,1,0]=4 179 B8R1.1 ClCC1=CC(Br)=NO1 69282 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [1,1,0,0,0,0|1,1,0]=4 181 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [1,1,0,0,0,0|1,0,1]=4 182 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.1 NCC1=CC(Br)=NO1 25297 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.1 NCC1=CC(Br)=NO1 69284 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.1 NCC1=CC(Cl)=CO1 50492 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.1 NCC1=CC=C(Br)O1 79914 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.1 NCC1=CC=C(Br)O1 94512 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [1,1,0,0,0,0|1,1,0]=4 189 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [1,1,0,0,0,0|0,1,1]=4 190 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,1,0,0,0,0|0,1,1]=4 191 B8R1.1 OCC1=CC(Cl)=CS1 37631 [1,1,0,0,0,0|0,2,0]=4 192 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,1,0,0,0,0|0,0,0]=2 194 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,1,0,0,0,0|0,0,0]=2 195 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,1,0,0,0,0|0,0,0]=2 196 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [1,1,0,0,0,0|1,1,0]=4 198 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [1,1,0,0,0,0|1,1,0]=4 199 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [1,1,0,0,0,0|1,1,0]=4 209 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,1,0,0,0,0|0,1,0]=3 211 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,1,0,0,0,0|0,1,0]=3 212 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,1,0,0,0,0|0,1,0]=3 213 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [1,1,0,0,0,0|1,1,0]=4 214 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [1,1,0,0,0,0|1,1,0]=4 215 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [1,1,0,0,0,0|1,1,0]=4 222 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [1,1,0,0,0,0|1,1,0]=4 223 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.7 NC(=S)C1=CC=CO1 F11945 [1,1,0,0,0,0|0,0,2]=4 227 B8R1.11 CC1=C(CCl)OC=N1 C11081 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.11 CC1=C(CN)OC=N1 AT18687 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.11 CC1=C(CN)SC=C1 71361 [1,1,0,0,0,0|1,1,0]=4 231 B8R1.11 CC1=C(CO)ON=C1 A51017 [1,1,0,0,0,0|1,1,0]=4 232 B8R1.11 CCC1=C(N)C=NO1 AT19807 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.11 CCC1=C(N)SC=N1 W15853 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.11 CCC1=NNC=C1I I11378 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.11 CCC1=NNC=C1N AT14204 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.11 CCN1N=CC=C1Br F17300 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.11 CCN1N=CC=C1Cl AT15849 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.11 CCN1N=CC=C1O AT14056 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.11 COC1=C(Br)C=CS1 AT16340 [1,1,0,0,0,0|0,2,0]=4 240 B8R1.11 COC1=C(C)C=CS1 91670 [1,1,0,0,0,0|0,2,0]=4 241 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [1,1,0,0,0,0|1,1,0]=4 243 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [1,1,0,0,0,0|1,1,0]=4 244 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.11 NCC1=C(Br)C=CS1 P10346 [1,1,0,0,0,0|1,1,0]=4 246 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,1,0,0,0,1|1,1,0]=4 249 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,1,0,0,0,1|1,0,0]=3 250 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,1,0,0,0,1|1,1,0]=4 259 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,1,0,0,0,1|1,1,0]=4 260 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,1,0,0,0,1|1,0,0]=3 261 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.17 OCCCC1=CCC=CC1 72320 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16764 [0,2,0,0,0,0|1,0,1]=4 281 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16766 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16767 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16761 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16762 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16763 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.14 NC[C@H](N)C1=CC=C(Br)O1 N14886 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [0,2,0,0,0,0|1,1,0]=4 289 B10R1.16 CC1=NOC(CCCCl)=C1 F30371 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.16 COCCC1=CC(N)=NO1 AT19801 [0,2,0,0,0,0|1,1,0]=4 291 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.96 COCC1=CC=C(C=O)S1 AT26622 [0,2,0,0,0,0|0,2,0]=4 293 B10R1.130 CNCC1=CC(Br)=CN1C AT16235 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [0,2,0,0,0,0|1,0,1]=4 295 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [0,2,0,0,0,0|1,0,1]=4 296 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,2,0,0,0,0|1,0,0]=3 299 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,2,0,0,0,0|1,0,0]=3 300 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,2,0,0,0,0|1,1,0]=4 301 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,2,0,0,0,0|0,1,0]=3 302 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,2,0,0,0,0|1,0,0]=3 303 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,2,0,0,0,0|1,0,0]=3 304 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,2,0,0,0,0|1,0,0]=3 305 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [0,2,0,0,0,0|1,1,0]=4 306 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,2,0,0,0,0|1,0,0]=3 307 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,2,0,0,0,0|1,0,0]=3 308 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,2,0,0,0,0|1,0,0]=3 313 B10R1.21 OCCNCC1=CC=CO1 F16080 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,2,0,0,0,0|1,1,0]=4 315 B10R1.281 C[N+](C)(C)CC1=CC=CN1 AC9514 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.5 COCC1=C(C=O)N=CO1 AT18641 [0,2,0,0,0,0|1,1,0]=4 317 B10R1.5 COCC1=C(CCl)N=CO1 AT18628 [0,2,0,0,0,0|1,1,0]=4 318 B10R1.5 COCC1=C(CN)N=CO1 AT18725 [0,2,0,0,0,0|1,1,0]=4 319 B10R1.5 COCC1=C(CO)N=CO1 AT18723 [0,2,0,0,0,0|1,1,0]=4 320 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,0,0,1,0,1|2,0,0]=4 321 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,0,0,1,0,1|2,0,0]=4 322 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,0,0,1,0,1|2,0,0]=4 323 B10R2.14 NC1=NC=C(C2CC2)O1 AT18719 [0,1,0,1,0,0|2,0,0]=4 324 B10R2.16 NC1(C2=CC=CO2)CC1 CS1803 [0,1,0,1,0,0|1,0,0]=3 325 B10R2.16 NC1(C2=CC=CS2)CC1 E10038 [0,1,0,1,0,0|1,1,0]=4 326 B10R2.16 NC1(C2=CC=CS2)CC1 E10040 [0,1,0,1,0,0|1,1,0]=4