0 B8R1.8 BrCCC1=CC=CS1 F20027 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCC1=CNN=C1 F14413 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.8 C#CCN1C=NC=N1 N10419 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 CCNC1=NC=NN1 AT21327 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCNC1=NN=CO1 AT18792 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CNCC1=CC=NN1 27042 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CNCC1=CC=NN1 AT10969 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CNCC1=CN=CS1 71400 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=CSC=C1 AT16803 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CNCC1=CSC=N1 AT10976 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.8 CNCC1=CSC=N1 AT14743 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.8 CNCC1=NC=CN1 W10149 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 COCC1=NC=CN1 P10070 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 ClCCC1=CNC=N1 D82567 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 ClCCC1=NN=NN1 24987 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.8 N#CCC1=CN=CS1 97777 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.8 N#CCC1=CON=C1 AT21053 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.8 N#CCC1=NC=CN1 F17294 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.8 N#CCC1=NSN=C1 AT12130 [0,0,0,0,0,0|1,0,3]=4 23 B8R1.8 NCCC1=CN=CN1 S10979 [0,0,0,0,0,0|0,0,0]=0 24 B8R1.8 NCCC1=CNN=C1 AC1363 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.8 NCCC1=CNN=C1 D85886 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 NCCC1=COC=N1 AT18667 [0,0,0,0,0,0|1,0,1]=2 27 B8R1.8 NCCC1=NC=CS1 F51904 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.8 NCCC1=NNC=C1 AC2815 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.8 NCCN1C=CC=N1 AT10968 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.8 NCCN1C=CN=N1 C90622 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.8 NCCN1C=NN=C1 AT12145 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 NNCC1=CC=CS1 P10519 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 NNCC1=CSC=C1 P10771 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 O=CCC1=CC=CS1 O10539 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.8 O=CCC1=NN=CO1 W10330 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.8 OCCN1C=CN=N1 N16844 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 BrCC1=CN=CS1 70967 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.1 BrCC1=CNC=N1 AT15560 [1,0,0,0,0,0|1,0,2]=4 39 B7R1.1 BrCC1=COC=N1 F13651 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 BrCC1=CSC=N1 70966 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 BrCC1=NSN=C1 AT12137 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.1 CCC1=NN=CN1 AT12320 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.1 CCN1N=CN=N1 F17210 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 CNC1=CNN=C1 AT23101 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 CNC1=NN=CO1 AT18791 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 CNC1=NN=CS1 71255 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 ClCC1=CN=CS1 F13827 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 ClCC1=CNC=N1 70851 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 ClCC1=COC=N1 C16353 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 ClCC1=CSC=C1 AT17055 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 ClCC1=NC=CN1 35198 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 ClCC1=NN=CO1 C90532 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 NCC1=CC=NN1 P10323 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 NCC1=CC=NS1 AT13366 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,0,0|0,0,2]=3 58 B7R1.1 NCC1=CNN=C1 83328 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 NCC1=COC=C1 61502 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.1 NCC1=CSN=C1 AT21214 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 NCC1=NC=NN1 S10770 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.1 NCC1=NN=CO1 AT18772 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 NCC1=NNC=N1 C14327 [1,0,0,0,0,0|1,0,2]=4 65 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 NNC1=NC=CN1 25904 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 OCC1=CC=NN1 H11417 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 OCC1=NC=CN1 D72609 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 OCC1=NNN=C1 D78628 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 OCC1=NON=C1 D74166 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.7 BrCCN1C=NC(Br)=N1 AT21300 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [0,1,0,0,0,0|1,0,1]=3 79 B9R1.7 CC1=NC=C(CC#N)O1 AT18729 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.7 CC1=NN=C(CCN)N1 73391 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.7 CC1=NN=C(CCN)S1 AT18987 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.7 CC1=NNC(CCN)=N1 AT12330 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.7 CCCC1=NC(Br)=NN1 AT12133 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.7 CCCN1C=NC(Br)=C1 32861 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.7 CN1C=NC(CCO)=C1 AT15589 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.7 COCC1=CN=C(N)S1 C77468 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.7 N#CCC1=CN=C(Br)S1 S11840 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.7 NC1=NN(CCO)C=N1 AT11948 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.7 NCCC1=CN=C(O)S1 S10248 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.7 NCCC1=NNC(=S)O1 AT18832 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.7 NCCC1=NNC(N)=N1 AT12272 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.7 NCCN1C=C(Br)C=N1 AT16015 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.7 NNCC1=CC=C(Cl)S1 P10520 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.7 OCCN1C=NC(Br)=N1 AT11959 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.7 OCCN1C=NC(Cl)=N1 AT12219 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.11 C[C@@H](CCl)N1C=NC=N1 AT12261 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 C[C@@H](CO)N1C=NC=N1 AT12260 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 N=C(NO)C1=CN=CN1 AC2516 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.11 N[C@@H](CO)C1=COC=C1 N16732 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.11 N[C@@H](CO)C1=CSC=C1 N13030 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14696 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14697 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.12 BrCCCN1C=NC=N1 AC9760 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.12 CNCCC1=CN=CN1 D86292 [0,1,0,0,0,0|0,0,0]=1 116 B9R1.12 CNCCN1C=NC=N1 D76610 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.12 ClCCCN1C=CN=C1 C75518 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.12 N#CCCC1=CNC=N1 AT26027 [0,1,0,0,0,0|0,0,3]=4 120 B9R1.12 NCCCC1=NC=CN1 F10426 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.12 NCCCC1=NN=CS1 AT18988 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.12 NCCCN1C=CN=N1 74891 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.12 NCCCN1C=NC=N1 AT12359 [0,1,0,0,0,0|1,0,1]=3 124 B9R1.12 NCCCN1C=NN=C1 AC7163 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.12 NCCCN1C=NN=C1 AT12151 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.12 OCCCC1=CON=C1 C14065 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.13 N=C(N)CN1C=CN=C1 F50602 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.13 N=C(N)CN1C=CN=C1 F51909 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.13 N=C(N)CN1C=NC=N1 F50601 [0,1,0,0,0,0|1,0,2]=4 140 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,1,0,0,0,0|0,0,2]=3 143 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,1,0,0,0,0|1,0,1]=3 144 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.33 CCCN1C=CN=C1Br AT15598 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.33 CCCN1C=CN=C1S AT15644 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.33 CCCN1N=CN=C1Br AT12321 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.33 CN1C=CN=C1CCN AT24187 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.33 CN1N=CC=C1CCO AT15967 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.33 CN1N=CN=C1CCN AT12257 [0,1,0,0,0,0|1,0,1]=3 151 B9R1.33 CNCC1=CN=CN1C AT15467 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.1 C=CC\C=C\CCC T72633 [0,0,1,0,0,0|3,0,0]=4 153 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,0,0,1,0,0|1,0,2]=4 154 B9R2.2 C1=NC=NN1C2CC2 AT12049 [0,0,0,1,0,0|2,0,1]=4 155 B9R2.2 C1=NNC=C1C2CC2 A11719 [0,0,0,1,0,0|3,0,0]=4 156 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,0,0,0,0,1|2,0,0]=3 158 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,0,0,0,0,1|2,0,1]=4 160 B9R1.8 CNCC1=CN=CN=C1 38577 [0,0,0,0,0,1|2,0,1]=4 161 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,0,0,0,0,1|2,0,1]=4 162 B9R1.8 FCCC1=CC=CC=C1 75534 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,0,0,0,0,1|2,0,0]=3 164 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,0,0,0,0,1|2,0,0]=3 165 B9R1.8 NCCC1=NC=CC=N1 83201 [0,0,0,0,0,1|1,0,1]=3 166 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,0,0,0,0,1|1,0,1]=3 167 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,0,0,0,0,1|0,0,1]=2 168 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,0,0,0,0,1|0,0,1]=2 169 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,0,0,0,0,1|2,0,1]=4 170 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,0,0,0,0,1|1,0,1]=3 171 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,0,0,0,0,1|1,0,1]=3 172 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,0,0,0,0,1|2,0,0]=3 173 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,0,0,0,0,1|3,0,0]=4 177 B6R0.6 C=CCSCCN AT25545 [1,0,1,0,0,0|2,0,0]=4 178 B6R1.2 CC1=CN=CO1 C77581 [2,0,0,0,0,0|1,0,0]=3 179 B6R1.2 ClC1=NN=CN1 O10979 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 NC1=CC=CS1 44128 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 NC1=CC=CS1 F10359 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 NC1=CC=NS1 W16800 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 NC1=CNC=N1 P20245 [2,0,0,0,0,0|0,0,2]=4 184 B8R1.1 CC1=CC(CN)=CO1 AT17525 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.1 CC1=NC(CN)=CN1 AT15472 [1,1,0,0,0,0|0,0,2]=4 186 B8R1.1 CC1=NC(CN)=CO1 C71257 [1,1,0,0,0,0|1,0,1]=4 187 B8R1.1 CC1=NC(CN)=CO1 D83900 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.1 CC1=NC(CN)=CS1 D86402 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.1 CC1=NC=C(CCl)O1 C77476 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 CC1=NC=C(CO)N1 W10507 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.1 CC1=NC=C(CO)O1 F12980 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.1 CC1=NN=C(CN)S1 AT18920 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.1 CC1=NNC(CN)=C1 AC1083 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.1 CC1=NOC(CN)=C1 A10590 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 CC1=NSC(CN)=C1 AT21220 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 CCC1=CN=C(Br)S1 56511 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.1 CCC1=CN=C(S)S1 E72343 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.1 CCC1=CSC(Br)=N1 32166 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.1 CCC1=NN=C(Br)S1 AT18854 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.1 CCC1=NN=C(Cl)S1 AT18983 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.1 CCC1=NN=C(N)N1 AT12223 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.1 CCC1=NN=C(N)O1 VT1414 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CCC1=NN=C(O)O1 AT18768 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.1 CCC1=NN=C(S)S1 AT18942 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.1 CCN1C=NC(I)=C1 S10075 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.1 CCN1C=NC(N)=N1 AT11934 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.1 CCN1C=NC(N)=N1 AT11937 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.1 CN1C=CC(CN)=C1 AT16243 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.1 NCC1=CC(Br)=NO1 25297 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 NCC1=CC(Br)=NO1 69284 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 NCC1=CC(Cl)=CO1 50492 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 NCC1=CC=C(Br)O1 79914 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 NCC1=CC=C(Br)O1 94512 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [1,1,0,0,0,0|1,0,1]=4 228 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.1 NCC1=NC(Cl)=NN1 AT24768 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.1 NCC1=NNC(=O)N1 AT10971 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.7 CC(C)C1=NN=CN1 AT12319 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [1,1,0,0,0,0|0,0,0]=2 237 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.7 N=C(N)C1=CC=CN1 F18689 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.7 NC(=S)C1=CN=CS1 AT14770 [1,1,0,0,0,0|1,0,1]=4 264 B8R1.7 NC(=S)C1=CN=NN1 C16602 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.11 CC1=C(CCl)OC=N1 C11081 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.11 CC1=C(CCl)SC=N1 74336 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.11 CC1=C(CN)C=CO1 AT17524 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.11 CC1=C(CN)C=CO1 AT17541 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.11 CC1=C(CN)C=CS1 AT16801 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.11 CC1=C(CN)C=NO1 72465 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.11 CC1=C(CN)C=NO1 W10068 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.11 CC1=C(CN)N=CN1 AT15470 [1,1,0,0,0,0|0,0,2]=4 275 B8R1.11 CC1=C(CN)N=CO1 AT18605 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.11 CC1=C(CN)NC=N1 F19544 [1,1,0,0,0,0|0,0,0]=2 277 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.11 CC1=C(CN)OC=N1 AT18687 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.11 CC1=C(CN)SC=C1 71361 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.11 CC1=C(CO)SC=N1 74180 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.11 CC1=CSC=C1CN AT16790 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.11 CCC1=C(N)C=NO1 AT19807 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.11 CCC1=C(N)ON=C1 AT19811 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.11 CCC1=C(N)SC=N1 W15853 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.11 CCC1=CNN=C1N 24047 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.11 CCN1C=CN=C1C F16031 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.11 CCN1C=CN=C1N AT15605 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.11 CCN1N=CN=C1N AT12360 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.11 CCN1N=CN=C1N AT12361 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.11 CCN1NN=NC1=S D86686 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.11 CN1C=CN=C1CN AT15625 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.11 CN1C=NC=C1CBr O11296 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.11 CN1C=NC=C1CCl 94781 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.11 CN1C=NN=C1CCl 94779 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.11 CN1C=NN=C1CN F10337 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.11 CN1C=NN=C1NN AT21332 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.11 CN1N=NC=C1CN AT13362 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.11 CNC1=CN=CN1C 98139 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.11 CNC1=NN=CN1C AT21331 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.11 NCC1=C(Br)C=CS1 P10346 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.11 NCC1=CSC=C1Br AT16740 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.11 NCC1=CSC=C1Cl AT16880 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [0,1,0,0,0,1|1,0,1]=4 307 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,1,0,0,0,1|1,0,1]=4 310 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,1,0,0,0,1|1,0,1]=4 314 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,1,0,0,0,1|1,0,1]=4 315 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,1,0,0,0,1|1,0,1]=4 319 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,1,0,0,0,1|1,0,1]=4 322 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,1|1,0,1]=4 325 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,1|1,0,0]=3 330 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,1,0,0,0,1|1,0,0]=3 336 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,1,0,0,0,1|1,0,0]=3 337 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,1,0,0,0,1|1,0,1]=4 338 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,1,0,0,0,1|1,0,1]=4 339 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,1,0,0,0,1|1,0,1]=4 340 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,1,0,0,0,1|1,0,1]=4 347 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,1,0,0,0,1|0,0,2]=4 348 B10R1.14 NC[C@H](N)C1=CC=C(Br)O1 N14886 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.16 CC1=CN=C(CCCN)N1 F17811 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.54 NC1=NC=C(CC(=O)O)N1 C90531 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.96 NCCC1=NN=C(CO)S1 AT18899 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.6 CC(C)(CN)C1=CC=CS1 AT16438 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.149 CN1C=CN=C1[C@@H](O)CN F20265 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.21 CNCCCN1C=CN=C1 72851 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.29 CNCCN1C=CN=C1C D75971 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.64 CN1C=NC=C1CC(=O)O AT15592 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.5 NCCC1=C(CO)N=CO1 AT18733 [0,2,0,0,0,0|1,0,0]=3 360 B10R1.187 CC1=NNC(C)=C1CCN C80023 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.187 CN1N=CC(Br)=C1CCN D79720 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.5 NC1CC=CCC1N F16270 [0,0,1,1,0,0|1,0,1]=4 363 B8R1.5 NC1CC=CCC1N F16271 [0,0,1,1,0,0|1,0,1]=4 364 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16350 [0,0,1,1,0,0|1,0,1]=4 365 B8R1.5 N[C@H]1CC=CC[C@H]1N F14765 [0,0,1,1,0,0|1,0,1]=4 366 B8R1.5 N[C@H]1CC=CC[C@H]1N F16267 [0,0,1,1,0,0|1,0,1]=4 367 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,0,1,1,0,0|2,0,0]=4 368 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,0,1,1,0,0|2,0,0]=4 369 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,0,1,1,0,0|2,0,0]=4 370 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,0,0,1,0,1|2,0,0]=4 371 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,1,0,1|1,0,0]=3 372 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,0,0,1,0,1|0,0,1]=3 373 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,0,0,1,0,1|0,0,1]=3 374 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,0,0,1,0,1|0,0,1]=3 375 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,1|2,0,0]=4 376 B10R2.14 BrC1=NC=C(C2CC2)S1 C14246 [0,1,0,1,0,0|2,0,0]=4 377 B10R2.14 ClC1=NN=C(C2CC2)N1 AT12313 [0,1,0,1,0,0|2,0,0]=4 378 B10R2.14 NC1=NC=C(C2CC2)N1 F30721 [0,1,0,1,0,0|1,0,0]=3 379 B10R2.14 NC1=NC=C(C2CC2)O1 AT18719 [0,1,0,1,0,0|2,0,0]=4 380 B10R2.14 NC1=NN=C(C2CC2)N1 AT12230 [0,1,0,1,0,0|2,0,0]=4 381 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,1,0,1,0,0|1,0,1]=4 382 B10R2.5 N[C@H]1C[C@@H]1C2=CSC=C2 AT16875 [0,1,0,1,0,0|2,0,0]=4 383 B10R2.16 NC1(C2=CN=NN2)CC1 AT10565 [0,1,0,1,0,0|2,0,0]=4 384 B10R2.21 CN1C=NN=C1C2CC2 AT12269 [0,1,0,1,0,0|2,0,0]=4