0 B8R1.1 CC1=CC(CN)=NO1 29741 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CN)=NO1 71216 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CO)=NO1 TD8128 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C#N)N1 36543 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.1 CC1=CC=C(C#N)O1 AT17405 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=CC=C(C#N)S1 89014 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CC1=CC=C(C=O)O1 AC7802 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CC1=CC=C(C=O)S1 F11208 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=CC=C(CN)O1 AT17190 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 CC1=CC=C(CN)S1 71910 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CC1=CC=C(CO)O1 55257 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CC1=CN=C(CN)O1 P17743 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 CC1=CSC(C#N)=N1 P10584 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.1 CC1=CSC(C=O)=C1 F10375 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.1 CC1=CSC(C=O)=N1 78529 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.1 CC1=CSC(CN)=C1 71583 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.1 CC1=CSC(CN)=N1 F13030 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.1 CC1=CSC(CO)=C1 30206 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.1 CC1=NC(C=O)=CN1 79259 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NC(C=O)=CO1 64592 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CC1=NC(C=O)=CS1 24082 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.1 CC1=NC(CCl)=CS1 71066 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CC1=NC(CCl)=CS1 71076 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 CC1=NC(CO)=CO1 78705 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 CC1=NC(CO)=CS1 F11140 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 CC1=NC(CO)=NO1 F13043 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CC1=NC=C(CCl)S1 W10368 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CC1=NC=C(CO)S1 W10514 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CC1=NN=C(CCl)O1 30881 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CC1=NN=C(CCl)S1 C11356 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CC1=NN=C(CN)O1 25478 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CC1=NN=C(CO)O1 F30282 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CC1=NNC(CN)=C1 AC1082 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CC1=NOC(CCl)=N1 30341 [0,0,0,0,0,0|2,1,0]=3 34 B8R1.1 CC1=NOC(CO)=C1 F52509 [0,0,0,0,0,0|3,1,0]=4 35 B8R1.1 CC1=NOC(CO)=N1 D83218 [0,0,0,0,0,0|2,1,0]=3 36 B8R1.1 CCC1=CC=C(Br)S1 AT16365 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 CCC1=CC=C(C)S1 D82487 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 CCC1=NC(C)=CN1 AC1597 [0,0,0,0,0,0|1,0,0]=1 39 B8R1.1 CCC1=NC(C)=CS1 D90521 [0,0,0,0,0,0|0,0,0]=0 40 B8R1.1 CCC1=NN=C(N)S1 AT18875 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CCC1=NNC(N)=C1 50999 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CCC1=NOC(N)=C1 Y10432 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CCC1=NSC(N)=N1 D86484 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CCN1C=C(Br)C=N1 86991 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CCN1C=C(N)C=N1 80697 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 CCN1C=C(N)C=N1 A51019 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 CCN1C=CC(N)=N1 P20590 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 CCN1C=C[N+](C)=C1 A11510 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 CCN1C=C[N+](C)=C1 AC1321 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 CCN1C=C[N+](C)=C1 AC1322 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 CCN1C=C[N+](C)=C1 AC1323 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 CCN1C=C[N+](C)=C1 AC7797 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CCN1C=C[N+](C)=C1 C93466 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CCN1C=C[N+](C)=C1 D70792 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 CCN1C=C[N+](C)=C1 D70998 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 CCN1C=C[N+](C)=C1 D78163 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 CCN1C=C[N+](C)=C1 D90575 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 CCN1C=C[N+](C)=C1 D90612 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 CCN1C=C[N+](C)=C1 D90613 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 CCN1C=C[N+](C)=C1 E10137 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 CCN1C=C[N+](C)=C1 E10138 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 CCN1C=C[N+](C)=C1 H11269 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.1 CC[N+]1=CN(C)C=C1 A10784 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 CC[N+]1=CN(C)C=C1 D83002 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.1 CN1C=CC(C=O)=N1 83478 [0,0,0,0,0,0|3,0,1]=4 66 B8R1.1 CN1C=CC(CN)=N1 P10261 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.1 CN1C=CC(CO)=N1 71763 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.1 CN1C=NC(CCl)=C1 28134 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.1 CN1C=NC(CN)=C1 P15771 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 CN1C=NC(CO)=C1 83431 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.1 COC1=NC(Br)=CS1 S12156 [0,0,0,0,0,0|2,0,0]=2 72 B8R1.1 COC1=NN=C(C)S1 D95084 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.1 COC1=NSC(N)=N1 F19987 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.1 CSC1=NC(Br)=CS1 78704 [0,0,0,0,0,0|2,0,0]=2 75 B8R1.1 CSC1=NC(N)=NN1 F10435 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.1 ClCC1=CC=C(Cl)S1 33094 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.1 ClCC1=CSC(Cl)=N1 BL003831 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 N#CC1=CC(Br)=CS1 P10075 [0,0,0,0,0,0|3,0,1]=4 79 B8R1.1 NC1=NC(CCl)=CS1 AB1042 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 NC1=NC(CO)=CS1 20112 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.1 NC1=NC(CO)=CS1 AT14872 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.1 NCC1=CC(Br)=CS1 P10529 [0,0,0,0,0,0|3,0,0]=3 83 B8R1.1 NCC1=CC(Br)=CS1 SC1761 [0,0,0,0,0,0|3,0,0]=3 84 B8R1.1 NCC1=CC=C(Br)S1 73366 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.1 NCC1=CSC(Br)=N1 D83439 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.1 O=CC1=CC(Br)=CS1 21502 [0,0,0,0,0,0|3,0,1]=4 87 B8R1.1 O=CC1=NC(Br)=CS1 54568 [0,0,0,0,0,0|2,0,1]=3 88 B8R1.1 OCC1=CC(Br)=CS1 81437 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.1 OCC1=CC=C(Br)S1 29963 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.1 OCC1=CC=C(Cl)S1 29526 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.1 OCC1=CSC(Br)=N1 60877 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.1 OCC1=NC(Br)=CS1 68977 [0,0,0,0,0,0|2,0,0]=2 93 B7R1.1 BrCC1=NC=CN1 O10503 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 C#CC1=CC=CS1 75533 [1,0,0,0,0,0|1,0,2]=4 95 B7R1.1 CCC1=CC=CO1 S10154 [1,0,0,0,0,0|1,1,0]=3 96 B7R1.1 CCC1=CC=CS1 D90498 [1,0,0,0,0,0|1,0,0]=2 97 B7R1.1 CCC1=CCC=C1 F14114 [1,0,0,0,0,0|2,0,1]=4 98 B7R1.1 CCC1=CN=CN1 32046 [1,0,0,0,0,0|2,0,1]=4 99 B7R1.1 CCC1=CSC=C1 F14946 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 CCC1=NC=CN1 D77759 [1,0,0,0,0,0|1,0,0]=2 101 B7R1.1 CCC1=NC=CS1 D90524 [1,0,0,0,0,0|0,0,0]=1 102 B7R1.1 CCC1=NNC=N1 D70507 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.1 CCN1C=CC=N1 28726 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.1 CCN1C=CN=N1 D80212 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 COC1=CC=CS1 F14921 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.1 COC1=NC=CS1 O10826 [1,0,0,0,0,0|1,0,0]=2 107 B7R1.1 CSC1=NC=CS1 H10071 [1,0,0,0,0,0|1,0,0]=2 108 B7R1.1 CSC1=NCCS1 D91471 [1,0,0,0,0,0|1,0,2]=4 109 B7R1.1 ClCC1=CN=CS1 27423 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 ClCC1=CSC=N1 CL2524 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 ClCC1=NC=CO1 24216 [1,0,0,0,0,0|1,1,0]=3 112 B7R1.1 ClCC1=NNC=C1 29752 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 ClCC1=NOC=N1 C10486 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.1 N#CC1=CC=CS1 11864 [1,0,0,0,0,0|2,0,1]=4 115 B7R1.1 N#CC1=NC=CN1 38390 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.1 N#CC1=NC=CN1 38391 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 N#CC1=NC=CS1 24053 [1,0,0,0,0,0|1,0,1]=3 118 B7R1.1 NCC1=CC=CN1 24683 [1,0,0,0,0,0|2,0,1]=4 119 B7R1.1 NCC1=CC=CS1 77953 [1,0,0,0,0,0|2,0,0]=3 120 B7R1.1 NCC1=CN=CS1 20220 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.1 NCC1=CN=CS1 P15769 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.1 NCC1=CNC=N1 71831 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 NCC1=COC=N1 AC7758 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.1 NCC1=NC=CN1 71597 [1,0,0,0,0,0|2,0,0]=3 125 B7R1.1 NCC1=NC=CN1 C90135 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.1 NCC1=NC=CO1 64820 [1,0,0,0,0,0|1,1,0]=3 127 B7R1.1 NCC1=NC=CS1 20218 [1,0,0,0,0,0|1,0,0]=2 128 B7R1.1 NCC1=NC=CS1 38316 [1,0,0,0,0,0|1,0,0]=2 129 B7R1.1 NCC1=NC=CS1 38317 [1,0,0,0,0,0|1,0,0]=2 130 B7R1.1 O=CC1=CC=CS1 AC8106 [1,0,0,0,0,0|2,0,1]=4 131 B7R1.1 O=CC1=NC=CN1 69187 [1,0,0,0,0,0|2,0,1]=4 132 B7R1.1 O=CC1=NC=CO1 64760 [1,0,0,0,0,0|1,1,1]=4 133 B7R1.1 O=CC1=NC=CS1 TD8063 [1,0,0,0,0,0|1,0,1]=3 134 B7R1.1 OCC1=CC=CS1 P10010 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.1 OCC1=CN=CS1 28400 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.1 OCC1=CNC=N1 62333 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.1 OCC1=COC=N1 38413 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.1 OCC1=CSC=N1 24603 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.1 OCC1=NC=CN1 28922 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.1 OCC1=NC=CO1 50737 [1,0,0,0,0,0|1,1,0]=3 141 B7R1.1 OCC1=NC=CS1 52484 [1,0,0,0,0,0|1,0,0]=2 142 B7R1.1 OCC1=NNC=C1 29405 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.1 OCC1=NOC=C1 26711 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.1 OCN1C=CC=N1 23685 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.2 BrC1=CSC(Br)=C1 75333 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.2 BrC1=CSC(Br)=N1 37116 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.2 CC1=CC(Br)=CS1 33723 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.2 CC1=CC(C)=NN1 P19711 [1,0,0,0,0,0|3,0,0]=4 149 B7R1.2 CC1=CC(C)=NO1 75710 [1,0,0,0,0,0|2,1,0]=4 150 B7R1.2 CC1=CC=C(Br)S1 O10685 [1,0,0,0,0,0|3,0,0]=4 151 B7R1.2 CC1=CC=C(C)N1 O10615 [1,0,0,0,0,0|1,0,1]=3 152 B7R1.2 CC1=CC=C(C)S1 F11266 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.2 CC1=CC=C(Cl)S1 H11801 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.2 CC1=CC=C(I)S1 54487 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.2 CC1=CN(C)N=C1 29067 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.2 CC1=CN=C(Br)S1 23849 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.2 CC1=CN=C(C)S1 33730 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.2 CC1=CN=C(Cl)S1 82946 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.2 CC1=CN=C(I)N1 W10501 [1,0,0,0,0,0|2,0,1]=4 160 B7R1.2 CC1=CN=C(N)N1 C90519 [1,0,0,0,0,0|2,0,1]=4 161 B7R1.2 CC1=CN=C(N)S1 A56079 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.2 CC1=CNC(Br)=N1 78588 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.2 CC1=CNC(C)=C1 28362 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.2 CC1=CNC(C)=N1 23196 [1,0,0,0,0,0|1,0,0]=2 165 B7R1.2 CC1=COC(C)=N1 T71266 [1,0,0,0,0,0|0,1,0]=2 166 B7R1.2 CC1=COC(N)=N1 30309 [1,0,0,0,0,0|1,1,0]=3 167 B7R1.2 CC1=CSC(=O)N1 S10245 [1,0,0,0,0,0|1,0,1]=3 168 B7R1.2 CC1=CSC(Br)=N1 23648 [1,0,0,0,0,0|1,0,0]=2 169 B7R1.2 CC1=CSC(C)=N1 O10604 [1,0,0,0,0,0|0,0,0]=1 170 B7R1.2 CC1=CSC(Cl)=N1 BL002552 [1,0,0,0,0,0|1,0,0]=2 171 B7R1.2 CC1=CSC(N)=N1 73687 [1,0,0,0,0,0|1,0,0]=2 172 B7R1.2 CC1=NC(=N)NO1 W17509 [1,0,0,0,0,0|2,1,0]=4 173 B7R1.2 CC1=NC(Br)=CN1 FD7296 [1,0,0,0,0,0|2,0,0]=3 174 B7R1.2 CC1=NC(Br)=CS1 BL000165 [1,0,0,0,0,0|1,0,0]=2 175 B7R1.2 CC1=NC(Br)=NO1 D82619 [1,0,0,0,0,0|2,1,0]=4 176 B7R1.2 CC1=NC=C(I)N1 83403 [1,0,0,0,0,0|2,0,1]=4 177 B7R1.2 CC1=NN(C)C=C1 81639 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.2 CC1=NN=C(C)O1 36260 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=NNC(C)=N1 37269 [1,0,0,0,0,0|2,0,0]=3 180 B7R1.2 CC1=NNC(N)=N1 F30766 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.2 CC1=NNC(S)=N1 C16288 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.2 CC1=NSC(Br)=C1 35562 [1,0,0,0,0,0|3,0,0]=4 183 B7R1.2 CC1=NSC(Cl)=N1 27140 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.2 CC1=NSC(N)=C1 64312 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.2 CC1=NSC(N)=N1 80289 [1,0,0,0,0,0|2,0,0]=3 186 B7R1.2 CN1C=CC(Br)=N1 81971 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.2 CN1C=CC(Cl)=N1 70372 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.2 CN1C=CC(I)=N1 30259 [1,0,0,0,0,0|3,0,0]=4 189 B7R1.2 CN1C=CC(N)=N1 27080 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.2 CN1C=NC(Br)=N1 24691 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.2 CN1C=NC(N)=N1 71399 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.2 CN1N=CC(Br)=N1 72895 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.2 ClC1=CSC(Cl)=N1 80776 [1,0,0,0,0,0|2,0,0]=3 194 B7R1.2 ClC1=NC(Br)=CS1 CS1371 [1,0,0,0,0,0|2,0,0]=3 195 B7R1.2 ClC1=NC(Br)=NS1 F14679 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.2 ClC1=NSC(Cl)=N1 P18869 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.2 NC1=CSC(Br)=C1 P17645 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.2 NC1=CSC(Br)=N1 73561 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.2 NC1=CSC(N)=N1 D70972 [1,0,0,0,0,0|2,0,0]=3 200 B7R1.2 NC1=NC(=O)CS1 31010 [1,0,0,0,0,0|2,0,1]=4 201 B7R1.2 NC1=NC(=S)SS1 22102 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.2 NC1=NC(Br)=CS1 25397 [1,0,0,0,0,0|2,0,0]=3 203 B7R1.2 NC1=NC(O)=CS1 VT1243 [1,0,0,0,0,0|2,0,0]=3 204 B7R1.2 NC1=NSC(N)=N1 F20081 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.7 CC1=NC(CCN)=CN1 F15605 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.7 CCCC1=CC=C(Br)S1 F17551 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.7 CCCC1=CSC(N)=N1 O11283 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.7 CCOC1=NC(Br)=CS1 BL003408 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.7 CN1C=NC(CCN)=C1 W10018 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.7 CNCC1=NOC(C)=N1 72928 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.7 NC1=NN(CCO)C=C1 82863 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.7 NCCC1=CC=C(Br)S1 AC1431 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.21 CCC1=CC=C(C=O)S1 AT16722 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.21 CCN1C=C(CN)C=N1 W17396 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.21 COC1=CC=C(OC)S1 D82905 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.21 NCC1=CC=C(CN)O1 D94954 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.21 OCC1=CC=C(CO)O1 54018 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.22 CCC1=NN(C)C=C1Br P17794 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.22 CN1C=C(Br)C(CO)=N1 AT12388 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.23 CC1=C(C)SC(C=O)=N1 25770 [0,1,0,0,0,0|1,0,1]=3 221 B9R1.23 CC1=C(C)SC(NN)=N1 S10157 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.23 CC1=CC(CN)=NN1C 29739 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.23 CC1=CC(CO)=NN1C 77742 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.23 CCN1C=C(N)C(C)=N1 N10521 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.23 CCN1C=C(N)C(C)=N1 P10262 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.23 CNC1=NN(C)C(C)=C1 72000 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.35 CC(=O)C1=CC(Br)=CS1 P10187 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.35 CC(=O)C1=CC(C)=CS1 D71110 [0,1,0,0,0,0|1,0,1]=3 229 B9R1.35 CC(=O)C1=CC(Cl)=CS1 23254 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.35 CC(=O)C1=CC=C(C)O1 28464 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.35 CC(=O)C1=CC=C(C)S1 23304 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.35 CC(=O)C1=NC(C)=CS1 78610 [0,1,0,0,0,0|0,0,1]=2 233 B9R1.35 CC(C)C1=NC=C(Br)S1 P17574 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.35 CC(C)N1C=CC(N)=N1 P15890 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.35 CC1=CSC(B(O)O)=C1 F11801 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.35 CC1=CSC(C(=O)O)=C1 CL9298 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.35 CC1=CSC(C(=O)O)=N1 69756 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.35 CC1=CSC(C(C)C)=N1 D91146 [0,1,0,0,0,0|0,0,0]=1 239 B9R1.35 CC1=CSC([C@H](C)N)=N1 24159 [0,1,0,0,0,0|0,0,0]=1 240 B9R1.35 C[C@H](N)C1=CC=C(Br)S1 D70478 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.35 O=C(O)C1=NC(Br)=CS1 51377 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.2 CCC(=O)CC(C)=O 24687 [0,0,1,0,0,0|2,1,0]=4 243 B7R0.2 CCC(=O)OC(C)=O 27049 [0,0,1,0,0,0|2,1,0]=4 244 B7R0.4 CCC\C=C\C(C)=O F17581 [0,0,1,0,0,0|2,0,1]=4 245 B9R1.1 BrCC1=CN=C(Br)C=C1 AB8335 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 BrCC1=NC=C(Br)C=C1 D80548 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 C#CC1=CN=C(C)C=C1 W16416 [0,0,0,0,0,1|1,0,2]=4 248 B9R1.1 C#CC1=NC=C(C)C=C1 79082 [0,0,0,0,0,1|1,0,2]=4 249 B9R1.1 C=CC1=CN=C(C)C=C1 52728 [0,0,0,0,0,1|1,0,2]=4 250 B9R1.1 CC1=CC=C(CBr)C=C1 73715 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.1 CC1=CC=C(CN)C=C1 D77926 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 CC1=CC=C(CO)C=C1 D77794 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 CC1=CC=C(NN)N=N1 23424 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 CC1=CCC(CO)=CC1 D86668 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 CC1=CN=C(C#N)C=C1 59514 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.1 CC1=CN=C(C#N)C=N1 83417 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.1 CC1=CN=C(C=O)C=C1 23461 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.1 CC1=CN=C(CCl)C=N1 79206 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.1 CC1=CN=C(CN)C=C1 28136 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.1 CC1=CN=C(CN)C=C1 83594 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.1 CC1=CN=C(CN)C=N1 23710 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.1 CC1=CN=C(CO)C=C1 72012 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.1 CC1=CN=C(NN)C=C1 CL0211 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.1 CC1=NC=C(C#N)C=C1 CL8881 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.1 CC1=NC=C(C=O)C=C1 24017 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.1 CC1=NC=C(CBr)C=C1 90354 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.1 CC1=NC=C(CN)C=C1 AB9816 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.1 CC1=NC=C(CO)C=C1 90355 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.1 CC1=NC=C(CO)C=N1 81412 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.1 CC1=NC=C(NN)C=C1 26355 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.1 CCC1=CC=C(Br)C=C1 21734 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.1 CCC1=CC=C(C)C=C1 F14879 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.1 CCC1=CC=C(Cl)C=C1 D83472 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.1 CCC1=CC=C(F)C=C1 34844 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.1 CCC1=CC=C(I)C=C1 N11912 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.1 CCC1=CC=C(N)C=C1 AC9511 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.1 CCC1=CC=C(O)C=C1 D70486 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.1 CCC1=CN=C(Cl)N=C1 28364 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.1 CCC1=CN=C(N)C=C1 O11428 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.1 CCC1=CN=C(N)N=C1 25616 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.1 CC[N+]1=CC=C(C)C=C1 D90607 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.1 CNC1=CC=C(C)C=C1 28846 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.1 CNC1=CN=C(Cl)C=C1 F10385 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.1 CNC1=CN=C(Cl)C=N1 D83994 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.1 CNC1=NC=C(Br)C=C1 24774 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.1 CNC1=NC=C(Br)C=N1 80109 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.1 CNC1=NC=C(C)C=C1 H12000 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.1 CNC1=NC=C(Cl)C=C1 C75129 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.1 CNC1=NC=C(F)C=C1 C76832 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.1 CNC1=NC=C(N)C=C1 D83349 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.1 CNC1=NN=C(Cl)C=C1 23374 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.1 COC1=CN=C(Br)C=C1 22630 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.1 COC1=CN=C(Br)C=N1 24199 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.1 COC1=CN=C(C)C=C1 D74455 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.1 COC1=CN=C(Cl)C=C1 71587 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.1 COC1=CN=C(Cl)C=N1 27017 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.1 COC1=CN=C(N)C=C1 52063 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.1 COC1=NC=C(Br)C=C1 54649 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.1 COC1=NC=C(Br)C=N1 56652 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.1 COC1=NC=C(C)C=C1 35333 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.1 COC1=NC=C(Cl)C=C1 24222 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.1 COC1=NC=C(Cl)C=N1 AT18421 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.1 COC1=NC=C(F)C=C1 84407 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.1 COC1=NC=C(F)C=N1 D82316 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.1 COC1=NC=C(I)C=C1 I10229 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.1 COC1=NC=C(N)C=C1 20242 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.1 COC1=NC=C(O)C=C1 24812 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.1 COC1=NN=C(Br)C=C1 27805 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.1 COC1=NN=C(C)C=C1 94345 [0,0,0,0,0,1|2,0,0]=3 310 B9R1.1 COC1=NN=C(Cl)C=C1 P10018 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.1 COC1=NN=C(N)C=C1 52055 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.1 COC1=NN=C(N)C=C1 D75466 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.1 CSC1=CN=C(Br)C=C1 F30230 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.1 CSC1=CN=C(Br)C=N1 55570 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.1 CSC1=CN=C(N)C=C1 51047 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.1 CSC1=NC=C(Br)C=C1 83055 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.1 CSC1=NC=C(Br)C=N1 34647 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.1 CSC1=NC=C(O)C=N1 35995 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.1 ClC1=CN=C(CBr)C=C1 36620 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.1 ClC1=NC=C(CBr)C=C1 AB8398 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.1 ClCC1=CN=C(Cl)C=C1 D77784 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.1 ClCC1=NC=C(Cl)C=C1 F30094 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.1 ClCC1=NC=C(Cl)C=C1 O11395 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.1 FC1=CN=C(CCl)C=C1 P19177 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 FC1=NC=C(CBr)C=C1 88968 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.1 FC1=NC=C(CBr)C=C1 C74598 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.1 FC1=NC=C(CCl)C=C1 88967 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.1 NC1=CN=C(CO)C=C1 32039 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.1 NC1=NC=C(CO)C=C1 32771 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 NCC1=CN=C(Br)C=C1 25705 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 NCC1=CN=C(Br)C=C1 D82368 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.1 NCC1=CN=C(Cl)C=C1 AB8943 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 NCC1=CN=C(F)C=C1 P11062 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 NCC1=NC=C(Br)C=C1 25200 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.1 NCC1=NC=C(Br)C=C1 83590 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.1 NCC1=NC=C(Cl)C=C1 24131 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.1 NCC1=NC=C(Cl)C=C1 83592 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.1 OCC1=CN=C(Br)C=C1 68607 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.1 OCC1=CN=C(Cl)C=C1 CL0081 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.1 OCC1=CN=C(Cl)C=N1 59550 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.1 OCC1=CN=C(F)C=C1 BL006968 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.1 OCC1=NC=C(Br)C=C1 21708 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.1 OCC1=NC=C(Br)C=N1 P11884 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.1 OCC1=NC=C(Cl)C=C1 24133 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.1 OCC1=NC=C(F)C=C1 26496 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.1 OCC1=NC=C(O)C=C1 Y10491 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.2 BrCC1=CC=CC(Br)=N1 82876 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.2 C#CC1=NC(C)=CC=C1 P10639 [0,0,0,0,0,1|1,0,2]=4 349 B9R1.2 CC1=CC(CCl)=CN=C1 29178 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.2 CC1=CC(CN)=NC=C1 28108 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.2 CC1=CC(CO)=CN=C1 SC5056 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.2 CC1=CC(CO)=NC=C1 35673 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.2 CC1=CC=CC(C#N)=N1 CL0059 [0,0,0,0,0,1|2,0,1]=4 354 B9R1.2 CC1=CC=CC(C=O)=N1 76383 [0,0,0,0,0,1|2,0,1]=4 355 B9R1.2 CC1=CC=CC(CBr)=C1 73702 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.2 CC1=CC=CC(CBr)=N1 75265 [0,0,0,0,0,1|2,0,0]=3 357 B9R1.2 CC1=CC=CC(CCl)=N1 24574 [0,0,0,0,0,1|2,0,0]=3 358 B9R1.2 CC1=CC=CC(CCl)=N1 71323 [0,0,0,0,0,1|2,0,0]=3 359 B9R1.2 CC1=CC=CC(CN)=C1 CK2411 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.2 CC1=CC=CC(CN)=N1 20204 [0,0,0,0,0,1|2,0,0]=3 361 B9R1.2 CC1=CC=CC(CN)=N1 D76124 [0,0,0,0,0,1|2,0,0]=3 362 B9R1.2 CC1=CC=CC(CO)=C1 H10820 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.2 CC1=CC=CC(CO)=N1 CL0232 [0,0,0,0,0,1|2,0,0]=3 364 B9R1.2 CC1=CC=CC(NN)=N1 25332 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.2 CC1=CN=CC(CN)=C1 AB9815 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.2 CC1=NC=CC(C=O)=N1 27815 [0,0,0,0,0,1|2,0,1]=4 367 B9R1.2 CC1=NC=CC(CN)=C1 H10984 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.2 CC1=NC=CC(CO)=C1 25745 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.2 CCC1=CC(Br)=NC=C1 P17583 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.2 CCC1=CC(C)=CC=C1 F11740 [0,0,0,0,0,1|2,0,0]=3 371 B9R1.2 CCC1=CC(Cl)=NC=C1 D82379 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.2 CCC1=CC(N)=NC=C1 P17120 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.2 CCC1=CC(O)=CN=C1 D83801 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.2 CCC1=CC=CC(Br)=C1 34711 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.2 CCC1=CC=CC(Cl)=C1 22387 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.2 CCC1=CC=CC(F)=C1 36945 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.2 CCC1=CC=CC(N)=C1 34361 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.2 CCC1=CC=CC(N)=N1 S10311 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.2 CCC1=CC=CC(O)=C1 D78431 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.2 CCC1=NC(C)=CC=C1 S10152 [0,0,0,0,0,1|1,0,0]=2 381 B9R1.2 CCC1=NC(C)=CN=C1 O10768 [0,0,0,0,0,1|1,0,0]=2 382 B9R1.2 CCC1=NC=CC(N)=C1 P11358 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.2 CC[N+]1=CC(C)=CC=C1 D90551 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.2 CNC1=CC(C)=CC=C1 29078 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.2 CNC1=CC(C)=CN=C1 D81246 [0,0,0,0,0,1|3,0,0]=4 386 B9R1.2 CNC1=CC=CC(Cl)=N1 F15492 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.2 CNC1=CC=NC(Cl)=N1 W10444 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.2 CNC1=CN=CC(Cl)=N1 35607 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.2 CNC1=NC(C)=CC=C1 N10112 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.2 CNC1=NC=CC(Br)=N1 27221 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.2 COC1=CC(C)=CC=C1 H11854 [0,0,0,0,0,1|3,0,0]=4 392 B9R1.2 COC1=CC(C)=NC=C1 H11395 [0,0,0,0,0,1|3,0,0]=4 393 B9R1.2 COC1=CC=CC(Br)=N1 26072 [0,0,0,0,0,1|3,0,0]=4 394 B9R1.2 COC1=CC=CC(Cl)=N1 CL0089 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.2 COC1=CC=CC(F)=N1 H10292 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.2 COC1=CC=CC(I)=N1 W10753 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.2 COC1=CC=NC(Br)=N1 27196 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.2 COC1=CC=NC(Cl)=N1 CL1909 [0,0,0,0,0,1|3,0,0]=4 399 B9R1.2 COC1=CC=NC(I)=N1 35880 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.2 COC1=CN=CC(Br)=N1 O10694 [0,0,0,0,0,1|3,0,0]=4 401 B9R1.2 COC1=CN=CC(Cl)=N1 P10361 [0,0,0,0,0,1|3,0,0]=4 402 B9R1.2 COC1=CN=CC(I)=N1 S10161 [0,0,0,0,0,1|3,0,0]=4 403 B9R1.2 COC1=NC(C)=CC=C1 63003 [0,0,0,0,0,1|2,0,0]=3 404 B9R1.2 COC1=NC(N)=CC=C1 CL0044 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.2 COC1=NC(N)=CC=N1 23629 [0,0,0,0,0,1|3,0,0]=4 406 B9R1.2 COC1=NC(N)=NC=C1 69749 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.2 COC1=NC=CC(C)=C1 35329 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.2 COC1=NC=CC(Cl)=N1 54203 [0,0,0,0,0,1|3,0,0]=4 409 B9R1.2 CSC1=CC=CC(Br)=N1 75478 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.2 CSC1=CC=NC(Cl)=N1 24219 [0,0,0,0,0,1|3,0,0]=4 411 B9R1.2 CSC1=NC(C)=CC=N1 91577 [0,0,0,0,0,1|2,0,0]=3 412 B9R1.2 CSC1=NC(N)=CC=N1 63252 [0,0,0,0,0,1|3,0,0]=4 413 B9R1.2 CSC1=NC(O)=CC=N1 20550 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.2 CSC1=NC=CC(Br)=N1 25166 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.2 CSC1=NC=CC(Cl)=N1 63254 [0,0,0,0,0,1|3,0,0]=4 416 B9R1.2 CSC1=NC=CC(I)=N1 83373 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.2 ClCC1=CC=CC(Br)=N1 30634 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 NC1=CC=CC(CO)=N1 29991 [0,0,0,0,0,1|3,0,0]=4 419 B9R1.2 NC1=NC=CC(CO)=N1 O10040 [0,0,0,0,0,1|3,0,0]=4 420 B9R1.2 NCC1=CC=CC(Br)=N1 26223 [0,0,0,0,0,1|3,0,0]=4 421 B9R1.2 NCC1=CC=CC(Br)=N1 Y10846 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 OCC1=CC=CC(Br)=N1 54454 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.2 OCC1=CC=CC(Cl)=N1 CL0094 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.2 OCC1=CC=CC(Cl)=N1 CL0095 [0,0,0,0,0,1|3,0,0]=4 425 B9R1.2 OCC1=CC=CC(F)=N1 29244 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.2 OCC1=CN=CC(Cl)=N1 26300 [0,0,0,0,0,1|3,0,0]=4 427 B6R0.1 CCOC(=N)CC W15737 [1,0,1,0,0,0|0,1,1]=4 428 B6R0.1 C\C=C\C(=O)CC 74326 [1,0,1,0,0,0|1,0,0]=3 429 B6R0.4 C=C(C)CNCC D95542 [1,0,1,0,0,0|2,0,0]=4 430 B6R0.4 CCCSC(C)=O D92148 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.4 CC\C=C\C(=O)O D72497 [1,0,1,0,0,0|2,0,0]=4 432 B6R0.4 CC\C=C\C(=O)O P17755 [1,0,1,0,0,0|2,0,0]=4 433 B6R0.4 CO\C=C\C(C)=O D78013 [1,0,1,0,0,0|2,0,0]=4 434 B6R0.4 CO\C=C\C(C)=O F50213 [1,0,1,0,0,0|2,0,0]=4 435 B6R0.6 C\C=C\C=C\CO D77844 [1,0,1,0,0,0|2,0,0]=4 436 B6R1.2 BrC1=CC=CS1 D77872 [2,0,0,0,0,0|2,0,0]=4 437 B6R1.2 BrC1=CNC=N1 CL2219 [2,0,0,0,0,0|2,0,0]=4 438 B6R1.2 BrC1=CSC=C1 P20051 [2,0,0,0,0,0|2,0,0]=4 439 B6R1.2 BrC1=CSC=N1 50021 [2,0,0,0,0,0|1,0,0]=3 440 B6R1.2 BrC1=NC=CN1 TD8110 [2,0,0,0,0,0|2,0,0]=4 441 B6R1.2 BrC1=NC=CS1 22300 [2,0,0,0,0,0|1,0,0]=3 442 B6R1.2 BrC1=NC=NS1 26423 [2,0,0,0,0,0|2,0,0]=4 443 B6R1.2 BrC1=NN=CS1 38339 [2,0,0,0,0,0|2,0,0]=4 444 B6R1.2 CC1=CC=CS1 F10310 [2,0,0,0,0,0|1,0,0]=3 445 B6R1.2 CC1=CCC=C1 F13190 [2,0,0,0,0,0|2,0,0]=4 446 B6R1.2 CC1=CN=CS1 35579 [2,0,0,0,0,0|2,0,0]=4 447 B6R1.2 CC1=CNC=N1 73319 [2,0,0,0,0,0|1,0,0]=3 448 B6R1.2 CC1=COC=N1 P11074 [2,0,0,0,0,0|0,1,0]=3 449 B6R1.2 CC1=CSC=C1 28845 [2,0,0,0,0,0|1,0,0]=3 450 B6R1.2 CC1=CSC=N1 P16589 [2,0,0,0,0,0|0,0,0]=2 451 B6R1.2 CC1=NC=CN1 D77862 [2,0,0,0,0,0|1,0,0]=3 452 B6R1.2 CC1=NC=CS1 26127 [2,0,0,0,0,0|0,0,0]=2 453 B6R1.2 CC1=NCCS1 D91305 [2,0,0,0,0,0|0,0,2]=4 454 B6R1.2 CC1=NN=CN1 FD9029 [2,0,0,0,0,0|2,0,0]=4 455 B6R1.2 CC1=NN=CO1 F13450 [2,0,0,0,0,0|1,1,0]=4 456 B6R1.2 CC1=NNC=N1 50144 [2,0,0,0,0,0|2,0,0]=4 457 B6R1.2 CC1=NON=C1 C15436 [2,0,0,0,0,0|2,0,0]=4 458 B6R1.2 CN1C=CC=N1 39204 [2,0,0,0,0,0|2,0,0]=4 459 B6R1.2 CN1C=NC=N1 35171 [2,0,0,0,0,0|2,0,0]=4 460 B6R1.2 ClC1=CC=CS1 F10317 [2,0,0,0,0,0|2,0,0]=4 461 B6R1.2 ClC1=CSC=C1 75806 [2,0,0,0,0,0|2,0,0]=4 462 B6R1.2 ClC1=CSC=N1 26491 [2,0,0,0,0,0|1,0,0]=3 463 B6R1.2 ClC1=NC=CS1 23376 [2,0,0,0,0,0|1,0,0]=3 464 B6R1.2 ClC1=NC=NS1 25546 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 IC1=CC=CS1 20438 [2,0,0,0,0,0|2,0,0]=4 466 B6R1.2 IC1=CNC=N1 CL2236 [2,0,0,0,0,0|2,0,0]=4 467 B6R1.2 IC1=CSC=C1 35429 [2,0,0,0,0,0|2,0,0]=4 468 B6R1.2 IC1=NC=CN1 23885 [2,0,0,0,0,0|2,0,0]=4 469 B6R1.2 NC1=CSC=C1 37334 [2,0,0,0,0,0|2,0,0]=4 470 B6R1.2 NC1=CSC=C1 CX1088 [2,0,0,0,0,0|2,0,0]=4 471 B6R1.2 NC1=CSC=C1 D78123 [2,0,0,0,0,0|2,0,0]=4 472 B6R1.2 NC1=NC=CN1 36556 [2,0,0,0,0,0|2,0,0]=4 473 B6R1.2 NC1=NC=CN1 P10144 [2,0,0,0,0,0|2,0,0]=4 474 B6R1.2 NC1=NC=CO1 52234 [2,0,0,0,0,0|1,1,0]=4 475 B6R1.2 NC1=NC=CS1 AC7847 [2,0,0,0,0,0|1,0,0]=3 476 B6R1.2 NC1=NC=NS1 36264 [2,0,0,0,0,0|2,0,0]=4 477 B6R1.2 NC1=NC=NS1 77838 [2,0,0,0,0,0|2,0,0]=4 478 B6R1.2 NC1=NC=NS1 O10337 [2,0,0,0,0,0|2,0,0]=4 479 B6R1.2 NC1=NN=CS1 D77857 [2,0,0,0,0,0|2,0,0]=4 480 B6R1.2 S=C1SC=CS1 A10933 [2,0,0,0,0,0|2,0,0]=4 481 B6R1.2 SC1=NC=CN1 78654 [2,0,0,0,0,0|2,0,0]=4 482 B6R1.2 SC1=NC=CS1 23031 [2,0,0,0,0,0|1,0,0]=3 483 B6R1.2 SC1=NN=CS1 D71149 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.7 CC(=O)C1=CC=CS1 W18336 [1,1,0,0,0,0|1,0,1]=4 485 B8R1.7 CC(=O)C1=NC=CN1 50314 [1,1,0,0,0,0|1,0,1]=4 486 B8R1.7 CC(=O)C1=NC=CS1 F11223 [1,1,0,0,0,0|0,0,1]=3 487 B8R1.7 CC(C)C1=NC=CN1 AC7942 [1,1,0,0,0,0|1,0,0]=3 488 B8R1.7 CC(C)C1=NNC=C1 84161 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.7 CC(C)N1C=CC=N1 29359 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.7 C[C@H](N)C1=CC=CS1 F50504 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.7 C[C@H](N)C1=CSC=N1 N12430 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.7 C[C@H](N)C1=NC=CS1 30731 [1,1,0,0,0,0|0,0,0]=2 493 B8R1.7 C[C@H](N)C1=NC=CS1 SC2951 [1,1,0,0,0,0|0,0,0]=2 494 B8R1.7 C[C@H](O)C1=CC=CO1 C74444 [1,1,0,0,0,0|1,1,0]=4 495 B8R1.7 C[C@H](O)C1=NC=CS1 AT14680 [1,1,0,0,0,0|0,0,0]=2 496 B8R1.7 N=C(N)C1=NC=CS1 25076 [1,1,0,0,0,0|1,0,1]=4 497 B8R1.7 O=C(O)C1=NC=CS1 29143 [1,1,0,0,0,0|1,0,1]=4 498 B8R1.8 CCCC1=CC=CS1 F17557 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.8 CCCC1=NC=CN1 AC7723 [1,1,0,0,0,0|1,0,0]=3 500 B8R1.8 CCCC1=NC=CS1 D84132 [1,1,0,0,0,0|0,0,0]=2 501 B8R1.8 CCCN1C=CC=N1 31937 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.8 CCNC1=NC=CS1 D82871 [1,1,0,0,0,0|0,0,0]=2 503 B8R1.8 CCOC1=NC=CS1 D84242 [1,1,0,0,0,0|0,0,0]=2 504 B8R1.8 CNCC1=CC=CO1 74988 [1,1,0,0,0,0|1,1,0]=4 505 B8R1.8 CNCC1=CC=CS1 27064 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.8 CNCC1=CC=CS1 76689 [1,1,0,0,0,0|1,0,0]=3 507 B8R1.8 CSCC1=CC=CO1 D90650 [1,1,0,0,0,0|1,1,0]=4 508 B8R1.8 ClCCN1C=CC=N1 F11115 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.8 N#CCC1=CC=CS1 D71260 [1,1,0,0,0,0|1,0,1]=4 510 B8R1.8 NCCC1=CC=CO1 51136 [1,1,0,0,0,0|1,1,0]=4 511 B8R1.8 NCCC1=CC=CS1 28447 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.8 NCCC1=CNC=N1 D97233 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.8 NCCC1=CNC=N1 F10913 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.8 OCCC1=CC=CS1 P10012 [1,1,0,0,0,0|1,0,0]=3 515 B8R1.8 OCCC1=NC=CN1 29051 [1,1,0,0,0,0|1,0,0]=3 516 B8R1.8 OCCN1C=CC=N1 28722 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.11 CC1=C(CO)SC=C1 71542 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.11 CCN1N=CC=C1N 61440 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.11 CN1C=CN=C1CCl 83186 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.11 CN1C=CN=C1CCl F17325 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.11 CN1C=CN=C1CN 29381 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.11 CN1C=CN=C1CO CL2202 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.11 CSC1=NC=CN1C SC5098 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.11 OCC1=C(Br)C=CS1 P10336 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.11 OCC1=C(Cl)C=CS1 38403 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.18 CC1=C(Br)NC(Br)=N1 24091 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.18 CC1=C(Br)SC(Br)=C1 75355 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.18 CC1=C(Br)SC(N)=N1 23449 [1,1,0,0,0,0|1,0,0]=3 529 B8R1.18 CC1=C(Br)SC(N)=N1 23675 [1,1,0,0,0,0|1,0,0]=3 530 B8R1.18 CC1=C(C)SC(Br)=N1 25925 [1,1,0,0,0,0|1,0,0]=3 531 B8R1.18 CC1=C(C)SC(N)=N1 35259 [1,1,0,0,0,0|1,0,0]=3 532 B8R1.18 CC1=C(C)SC(N)=N1 71211 [1,1,0,0,0,0|1,0,0]=3 533 B8R1.18 CC1=C(C)SC(N)=N1 D88503 [1,1,0,0,0,0|1,0,0]=3 534 B8R1.18 CC1=C(C)SC(S)=N1 78634 [1,1,0,0,0,0|1,0,0]=3 535 B8R1.18 CC1=C(Cl)SC(Cl)=C1 33093 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.18 CC1=C(I)SC(N)=N1 D95147 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.18 CC1=CC(C)=NN1C 28977 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.18 CC1=CC(S)=C(C)O1 C15990 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.18 CC1=NC(Br)=CN1C 71592 [1,1,0,0,0,0|2,0,0]=4 540 B8R1.18 CC1=NC(C)=C(C)O1 78979 [1,1,0,0,0,0|0,1,0]=3 541 B8R1.18 CC1=NC(C)=C(C)S1 D92445 [1,1,0,0,0,0|0,0,0]=2 542 B8R1.18 CC1=NC(Cl)=C(Cl)N1 D94540 [1,1,0,0,0,0|2,0,0]=4 543 B8R1.18 CC1=NC(I)=C(I)N1 FD7293 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.18 CC1=NN(C)C(=O)C1 F10825 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.18 CC1=NN(C)C(Br)=C1 38096 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.18 CC1=NN(C)C(Cl)=C1 57533 [1,1,0,0,0,0|2,0,0]=4 547 B8R1.18 CC1=NN(C)C(N)=C1 29232 [1,1,0,0,0,0|2,0,0]=4 548 B8R1.18 CC1=NN(C)C(O)=C1 60058 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.18 CC1=NN(C)C=C1Br 71270 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.18 CC1=NN(C)C=C1N BL008602 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.18 CC1=NN(C)C=C1N W10154 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.50 CC1=CC=C(C)N1C D92550 [1,1,0,0,0,0|1,0,1]=4 553 B8R1.50 CC1=CSC(=S)N1O W13378 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.1 CC1=CC=C(CCBr)C=C1 64231 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.1 CC1=CC=C(CCN)C=C1 66611 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.1 CC1=CC=C(CCN)C=C1 66612 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.1 CC1=CC=C(CCO)C=C1 CK2469 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.1 CCNC1=NN=C(Cl)C=C1 79193 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.1 CCOC1=CN=C(Br)C=C1 71839 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.1 CCOC1=CN=C(Cl)C=C1 C16505 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.1 CCOC1=CN=C(N)C=C1 26534 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.1 CCOC1=NC=C(Br)C=C1 73337 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.1 CCOC1=NC=C(Br)C=N1 H10377 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.1 CCOC1=NC=C(I)C=C1 I10234 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.1 CCOC1=NC=C(N)C=N1 D70974 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.1 CCOC1=NC=C(N)N=C1 52371 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.1 CCOC1=NN=C(Cl)C=C1 D71214 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.1 CCOC1=NN=C(N)C=C1 24641 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.1 CNCC1=CC=C(C)C=C1 31931 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.1 CNCC1=CC=C(C)C=C1 35837 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.1 CNCC1=CN=C(C)C=C1 AC2520 [0,1,0,0,0,1|1,0,0]=3 572 B10R1.1 CNCC1=CN=C(C)N=C1 27402 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.1 CNCC1=CN=C(Cl)C=C1 F12001 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.1 NCCC1=NC=C(Br)C=C1 AT24808 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.1 OCCC1=CN=C(Cl)C=C1 11172 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.3 CCC1=CC=C(CBr)C=C1 W17947 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.3 CCC1=CC=C(CCl)C=C1 76102 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.3 CCC1=CC=C(CO)C=C1 D71245 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.3 CCC1=CC=C(OC)C=C1 F14894 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.3 COC1=CN=C(CCl)C=C1 F11620 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.3 COC1=CN=C(CO)C=C1 25486 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.3 COC1=CN=C(OC)C=C1 I11454 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.3 COC1=NC=C(CBr)C=C1 AB10400 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.3 COC1=NC=C(CN)C=C1 30987 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.3 COC1=NC=C(CN)C=C1 37569 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.3 COC1=NC=C(CO)C=C1 27629 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.13 CC(=O)C1=CN=C(C)C=C1 24573 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.13 CC(=O)C1=NC=C(C)C=C1 AB1019 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.13 CC(C)C1=CN=C(Br)C=C1 AB21186 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.13 CC(C)C1=CN=C(N)C=C1 27512 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.13 CC(C)C1=NC=C(Br)C=N1 P11450 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 59640 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.13 CC1=CC=C(C(C)C)C=C1 78207 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 30869 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 60067 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 F16888 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 AC1243 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 20752 [0,1,0,0,0,1|1,0,0]=3 599 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 N12208 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 38041 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.25 CC1=CN=C(CCl)C(C)=C1 26464 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.25 CC1=CN=C(CO)C(C)=C1 O10071 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.25 CCC1=C(Br)C=C(C)N=C1 D82328 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.25 CCC1=NC=C(C)N=C1C O10767 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.25 COC1=C(Br)C=C(C)C=N1 F13541 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.25 COC1=CC=C(C)N=C1Br 50066 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.25 COC1=NC=C(C)N=C1C 26298 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.25 CSC1=NC=C(C)N=C1C D95700 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.176 CCC1=NC(C)=C(C)N=C1 O11425 [0,1,0,0,0,1|1,0,0]=3 610 B10R1.2 CCC1=C(N)C(C)=CC=C1 60033 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.2 CCC1=C(O)C(C)=CC=C1 D83897 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.8 CCC1=CC(O)=NC(C)=N1 23941 [0,1,0,0,0,1|1,0,0]=3 613 B10R1.8 CCC1=NC(N)=NC(N)=C1 H10296 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.8 CCC1=NC(O)=CC(O)=N1 23006 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.8 COC1=NC(N)=NC(C)=N1 30883 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.8 COC1=NC(O)=CC(C)=N1 26038 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 38695 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.8 CSC1=NC(C)=CC(C)=N1 D70511 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 26179 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.10 CC1=CC=CC(CCBr)=C1 F20015 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.10 CC1=CC=CC(CCN)=C1 66804 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.10 CC1=CC=CC(CCN)=C1 79173 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.10 CC1=CC=CC(CCO)=C1 CK1130 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.10 CC1=CC=CC(CCO)=N1 H11169 [0,1,0,0,0,1|1,0,0]=3 625 B10R1.10 CCCC1=CC=CC(N)=N1 79666 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.10 CCNC1=NC=CC(Cl)=N1 D95569 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.10 CCOC1=CC=CC(Br)=N1 71181 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.10 CCOC1=CC=CC(Cl)=N1 S12367 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.10 CCOC1=NC=NC(C)=C1 H10203 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.30 CC1=NC(CCl)=C(Br)C=C1 D79357 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.30 CC1=NC(CO)=C(O)C=C1 71008 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.30 CCC1=C(O)C=CC(C)=N1 34316 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.30 CCC1=C(O)C=CC(C)=N1 CK1206 [0,1,0,0,0,1|1,0,0]=3 634 B10R1.30 COC1=C(Br)C=CC(C)=N1 29086 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.30 COC1=C(F)C=CC(C)=N1 22427 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.30 COC1=NC(C)=CC=C1N 22424 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.113 CC(=O)C1=NC(C)=CC=C1 34681 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.113 CC(C)C1=CC=CC(N)=N1 30393 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.113 CC(C)C1=CC=NC(Cl)=N1 AC7374 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.113 CC1=CC([C@H](C)N)=NC=C1 AB1547 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.113 CC1=CC=CC(C(F)F)=N1 91535 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 F16936 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 AB1549 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 73947 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 24932 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.172 BrCC1=CC=CC(CBr)=N1 77907 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.172 CCC1=CC=CC(CC)=N1 C10158 [0,1,0,0,0,1|1,0,0]=3 648 B10R1.172 CNC1=CC=CC(OC)=N1 C10907 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.172 COC1=CC=CC(CBr)=N1 C10189 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.172 COC1=CC=CC(OC)=N1 F11261 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.172 COC1=CC=NC(OC)=N1 H10125 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.172 COC1=CN=CC(OC)=N1 F11651 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.172 COC1=NC(CN)=CC=C1 F30404 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.172 COC1=NC(CO)=CC=C1 26710 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.172 CSC1=CC=NC(SC)=N1 H10393 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.172 CSC1=NC(CO)=CC=N1 C14033 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.172 ClCC1=CC=CC(CCl)=N1 D83093 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.172 OCC1=CC=CC(CBr)=N1 78109 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.172 OCC1=CC=CC(CO)=N1 65462 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.14 CCC(=O)C1=CC=C(C)O1 N10391 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.14 COC(=O)C1=NC(Br)=CS1 CS1491 [0,2,0,0,0,0|1,0,1]=4 662 B10R1.14 COC(=O)C1=NC(C)=CS1 35804 [0,2,0,0,0,0|0,0,1]=3 663 B10R1.16 CC1=CC=C(CCC=O)O1 D82231 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.16 CNCCC1=NOC(C)=N1 71940 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.54 CC(=O)NC1=NC(C)=CS1 C13635 [0,2,0,0,0,0|0,0,1]=3 666 B10R1.54 CC1=CSC(CC(C)C)=N1 D91154 [0,2,0,0,0,0|0,0,0]=2 667 B10R1.130 CC1=CC(C)=NN1CCN 71494 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.130 CC1=CC(C)=NN1CCO N12062 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.31 CC(C)C1=NC(C=O)=CS1 26616 [0,2,0,0,0,0|0,0,1]=3 670 B10R1.31 CC(C)C1=NC(CCl)=CS1 BL004419 [0,2,0,0,0,0|0,0,0]=2 671 B10R1.31 CC(C)C1=NC(CN)=CS1 78541 [0,2,0,0,0,0|0,0,0]=2 672 B10R1.31 CC(C)C1=NC(CO)=CS1 E10103 [0,2,0,0,0,0|0,0,0]=2 673 B10R1.31 CC(C)C1=NOC(CCl)=N1 A12616 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.31 CCC1=CC(C(=O)O)=CS1 54988 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.31 CCC1=NC(C(=O)O)=CO1 W18325 [0,2,0,0,0,0|0,1,1]=4 676 B10R1.31 CSC1=NC(C(=O)O)=CS1 D82192 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.35 CCC1=NC(C)=C(C=O)N1 F10358 [0,2,0,0,0,0|1,0,0]=3 678 B10R1.34 CCC1=NN(C)C(N)=C1C D86807 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.34 CCN1N=C(C)C(Cl)=C1N D86586 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.59 CC1=NN(C(C)C)C(N)=C1 30638 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.58 CC(C)C1=NN(C)C(N)=C1 F16158 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 S10220 [0,2,0,0,0,0|1,0,1]=4 683 B8R1.4 CC1=CC=CC(S)=N1 C73538 [0,0,1,1,0,0|0,0,2]=4 684 B8R1.3 CC1=CN=C(C)C=C1 I10249 [0,0,1,1,0,0|1,0,1]=4 685 B8R1.3 CC1=CN=C(C)C=N1 P19770 [0,0,1,1,0,0|1,0,1]=4 686 B10R2.2 BrC1=CN2CCCC2=N1 D80702 [0,1,0,1,0,0|2,0,0]=4