0 B6R1.2 BrC1=CC=CO1 XJ1019 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CC=CS1 LT0578 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=CC=NS1 YH06358 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 HL2419 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CNC=N1 HL2203 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CNN=C1 HL2126 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 BrC1=CNN=C1 RT1991 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 BrC1=CNN=N1 YH00326 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 BrC1=COC=C1 JZ5489 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 BrC1=CSC=C1 LT6206 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=NC=NS1 YH01463 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 BrC1=NNC=C1 YH35048 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 BrC1=NSC=C1 YH06973 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 CC1=CC=CC1 LQ4531 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 CC1=CC=CO1 RT14148 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 CC1=CC=CS1 HL0035 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 CC1=CC=NO1 XJ2996 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 CC1=CN=CS1 JZ2359 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 CC1=CNC=C1 YH10214 [0,0,0,0,0,0|1,0,0]=1 19 B6R1.2 CC1=CNC=N1 RT8712 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=CNN=C1 LX2319 [0,0,0,0,0,0|0,0,0]=0 21 B6R1.2 CC1=CNN=N1 YH65775 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 CC1=COC=C1 LQ1543 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 CC1=CSC=C1 LT0736 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=CSC=C1 LT6829 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 CC1=CSC=N1 JZ1146 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 CC1=NC=CN1 RT6736 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 CC1=NC=CS1 LT1779 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 CC1=NCCC1 XJ1415 [0,0,0,0,0,0|3,0,1]=4 29 B6R1.2 CC1=NCCN1 LL0953 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 CC1=NCCO1 XJ1609 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 CC1=NN=NN1 LT1325 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 CC1=NNC=N1 YH15428 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 CC1CCNC1 YH66261 [0,0,0,0,0,0|1,0,3]=4 34 B6R1.2 CN1C=CC=N1 LQ1547 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CN1C=CN=C1 RT14814 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 CN1C=NC=N1 JZ2858 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 CN1C=NN=N1 YH38814 [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 C[C@H]1CCNC1 YH66267 [0,0,0,0,0,0|1,0,3]=4 39 B6R1.2 ClC1=CC=CS1 LL0241 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 ClC1=CN=CN1 JZ5089 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 ClC1=CN=NS1 XJ2632 [0,0,0,0,0,0|2,0,1]=3 42 B6R1.2 ClC1=CNN=C1 JZ5061 [0,0,0,0,0,0|1,0,0]=1 43 B6R1.2 ClC1=CSC=C1 LT6771 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 ClC1=NNC=N1 LT2396 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 FC1=CC=CS1 YH59293 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 IC1=CC=CS1 LQ2449 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 IC1=CSC=C1 LQ3435 [0,0,0,0,0,0|3,0,0]=3 48 B6R1.2 N1C=NC(Br)=N1 YH16255 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 NC1=CC=CS1 LQ1192 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 NC1=CN=CS1 JZ5184 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 NC1=CN=NS1 XJ2617 [0,0,0,0,0,0|2,0,1]=3 52 B6R1.2 NC1=CNC=N1 XJ2788 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 NC1=CSC=C1 JZ5185 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 NC1=CSC=C1 LX2986 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 NC1=CSC=N1 YH65483 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 NC1=NN=NN1 LT1321 [0,0,0,0,0,0|3,0,1]=4 57 B6R1.2 NC1=NNC=C1 LT6717 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 NC1=NNC=N1 LT6697 [0,0,0,0,0,0|4,0,0]=4 59 B6R1.2 NC1=NOC=C1 JZ4770 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 NC1=NOC=C1 YH02226 [0,0,0,0,0,0|4,0,0]=4 61 B6R1.2 NN1C=NN=C1 XJ1020 [0,0,0,0,0,0|2,0,1]=3 62 B6R1.2 O=C1C=CCC1 LQ1544 [0,0,0,0,0,0|3,0,1]=4 63 B6R1.2 O=C1C=CCN1 RT14585 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 O=C1C=CCO1 XJ0818 [0,0,0,0,0,0|4,0,0]=4 65 B6R1.2 O=C1CCNC1 HL2616 [0,0,0,0,0,0|2,0,2]=4 66 B6R1.2 O=C1CCNC1 YH98366 [0,0,0,0,0,0|2,0,2]=4 67 B6R1.2 O=C1N=CNN1 LQ1545 [0,0,0,0,0,0|4,0,0]=4 68 B6R1.2 OC1=NOC=C1 RT14361 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 S=C1C=CSS1 RT14520 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 SC1=CC=CS1 JZ3241 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 SC1=NN=CS1 LT6572 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 [Co]C1C=CC=C1 LQ3485 [0,0,0,0,0,0|3,0,1]=4 73 B6R1.2 [Mn]C1C=CC=C1 LT4683 [0,0,0,0,0,0|3,0,1]=4 74 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [0,0,0,0,0,0|3,0,1]=4 75 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [0,0,0,0,0,0|3,0,1]=4 76 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [0,0,0,0,0,0|3,0,1]=4 77 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [0,0,0,0,0,0|3,0,1]=4 78 B5R1.1 C1=CCC=C1 HL0727 [1,0,0,0,0,0|2,0,0]=3 79 B5R1.1 C1=CCC=C1 LQ3537 [1,0,0,0,0,0|2,0,0]=3 80 B5R1.1 C1=CCC=C1 XJ0961 [1,0,0,0,0,0|2,0,0]=3 81 B5R1.1 C1=CCNC1 LL0398 [1,0,0,0,0,0|1,0,1]=3 82 B5R1.1 C1=CCNC1 YH11319 [1,0,0,0,0,0|1,0,1]=3 83 B5R1.1 C1=CNC=N1 YH35329 [1,0,0,0,0,0|2,0,0]=3 84 B5R1.1 C1=CNN=C1 LL0624 [1,0,0,0,0,0|0,0,0]=1 85 B5R1.1 C1=COC=C1 RT8598 [1,0,0,0,0,0|2,0,0]=3 86 B5R1.1 C1=COCC1 RT14584 [1,0,0,0,0,0|2,0,1]=4 87 B5R1.1 C1=CON=C1 LL0625 [1,0,0,0,0,0|1,0,0]=2 88 B5R1.1 C1=CSN=C1 YH52084 [1,0,0,0,0,0|1,0,0]=2 89 B5R1.1 C1=NC=N[N-]1 LQ5128 [1,0,0,0,0,0|1,0,1]=3 90 B5R1.1 C1=NCCO1 XJ4908 [1,0,0,0,0,0|2,0,1]=4 91 B5R1.1 C1=NN=NN1 LT1308 [1,0,0,0,0,0|2,0,0]=3 92 B5R1.1 C1=NN=NN1 RT6191 [1,0,0,0,0,0|2,0,0]=3 93 B5R1.1 C1=[C-]CC=C1 LQ3516 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 BrCC1=CSC=N1 YH05414 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.1 C#CC1=CSC=C1 HL4323 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 CCC1=CC=CS1 XJ1420 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 CCN1C=NC=N1 JZ5098 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 COC1=CC=CO1 XJ4809 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 CSC1=NN=NN1 LT3570 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.1 ClCC1=CC=CS1 LT1710 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.1 ClCC1=NN=NN1 LT3238 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 N#CC1=COC=C1 XJ5045 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.1 N#CN1C=CN=C1 RT15030 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.1 NCC1=CC=CO1 RT4371 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 NCC1=CC=CS1 LT5820 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 NCC1=CSC=C1 YH51468 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 NCC1=NC=NN1 YH08493 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.1 O=CC1=CC=NN1 YH58836 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.1 O=CC1=CC=NS1 YH05211 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.1 O=CC1=CNC=N1 LX3143 [0,1,0,0,0,0|2,0,1]=4 111 B7R1.1 O=CC1=CSC=C1 LT0654 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.1 O=CN1C=CN=C1 JZ2254 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 OCC1=CC=CN1 RT14126 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 OCC1=CC=CO1 XJ0217 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 OCC1=CN=CS1 LT6037 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 OCC1=CNC=C1 RT14164 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.1 OCC1=CNC=N1 LT5215 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 OCC1=CNC=N1 LT6077 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 OCC1=CSC=C1 LT2643 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 OCC1=NNC=C1 JZ5592 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 SCC1=CC=CO1 LL2412 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.1 [Na]SC1=CN=NN1 LQ5469 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.1 [Na]SC1=CN=NS1 YH90687 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 BrC1=CNC(Br)=N1 YH11828 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 BrC1=CSC(Br)=C1 LQ2406 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.2 CC1=CC(=O)CC1 HL2331 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.2 CC1=CC(C)=NN1 YH13269 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.2 CC1=CC(C)=NO1 LL0658 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.2 CC1=CC(N)=NN1 LT6115 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 CC1=CC(N)=NO1 JZ4347 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 CC1=CC=C(C)N1 XJ1201 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 CC1=CC=C(C)O1 JZ0985 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 CC1=CC=C(C)S1 LT0161 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 CC1=CCC(=O)O1 HL0093 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 CC1=CN=C(Br)S1 XJ5466 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 CC1=CN=C(Cl)S1 YH55067 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 CC1=CN=C(N)O1 YH54873 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.2 CC1=CN=C(N)S1 LT5981 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.2 CC1=CNC(C)=C1 XJ1200 [0,1,0,0,0,0|1,0,0]=2 140 B7R1.2 CC1=CNC(C)=N1 LQ1550 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.2 CC1=COC(N)=N1 LQ4845 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.2 CC1=CSC(Br)=N1 LQ3204 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=CSC(C)=N1 JZ0982 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=CSC(N)=N1 YH56147 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1=NC(I)=CN1 LL1307 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.2 CC1=NNC(=O)C1 LQ0389 [0,1,0,0,0,0|2,0,1]=4 147 B7R1.2 CC1=NNC(=O)O1 YH53438 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.2 CN1C=C(Br)C=N1 JZ5026 [0,1,0,0,0,0|1,0,0]=2 149 B7R1.2 CN1C=CC(N)=N1 YH42950 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 CN1C=C[N+](C)=C1 LX2917 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.2 CN1C=NC(I)=C1 XJ6263 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.2 CN1N=NC(N)=N1 CJ2164 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.2 NC1=NC=C(Br)S1 LT1932 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.2 NC1=NC=C(Br)S1 YH32232 [0,1,0,0,0,0|3,0,0]=4 155 B7R1.2 NC1=NC=C(Cl)S1 YH65536 [0,1,0,0,0,0|3,0,0]=4 156 B7R1.2 NC1=NNC(O)=C1 LQ5283 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.4 BrC1=C(Br)SC=C1 LQ2407 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.4 BrC1=CSC=C1Br CJ2871 [0,1,0,0,0,0|3,0,0]=4 159 B7R1.4 BrC1=CSC=C1Br LT0598 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.4 CC1=C(Br)C=CS1 LT2486 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.4 CC1=C(Br)N=CN1 YH37368 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.4 CC1=C(Br)SC=C1 LT1661 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.4 CC1=C(C)SC=C1 LQ1299 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.4 CC1=C(C)SC=N1 JZ1110 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.4 CC1=C(Cl)SC=C1 XJ4095 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.4 CC1=C(N)C=NO1 SY0005 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.4 CC1=C(S)C=CO1 LQ4612 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.4 CC1=C(S)CCO1 LT1786 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.4 CC1=C([Mn])CC=C1 LQ3504 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.4 CC1=CCCC1=O XJ1611 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.4 CC1=COC=C1C RT14117 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.4 CC1=CSC=C1C YH11171 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.4 CC1=NON=C1C YH66063 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,0,0,0|1,0,2]=4 175 B7R1.4 CN1C=CN=C1N RT2180 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.4 CN1C=CN=C1S LL0062 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.4 CN1C=NN=C1S LQ4448 [0,1,0,0,0,0|1,0,1]=3 178 B7R1.4 CN1CCNC1=O RT13275 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.4 CN1N=CC=C1N JZ4455 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.4 CN1N=NN=C1S LT3957 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.4 ClC1=C(Br)C=CS1 LT0622 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.4 ClC1=C(Cl)NC=N1 JZ5088 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.4 ClC1=C(Cl)SC=C1 LT0531 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.4 IC1=C(I)NC=N1 LT2699 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.4 NC1=C(Br)C=CS1 YH65584 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.4 NC1=CSC=C1N LT0596 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.4 NC1=NON=C1N XJ4367 [0,1,0,0,0,0|3,0,0]=4 188 B5R0.1 C=C(C)OCC LT1730 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.1 CC(=O)\C=N\O LT6064 [0,0,1,0,0,0|2,0,0]=3 190 B5R0.1 CC(C)=CCBr YH91045 [0,0,1,0,0,0|2,0,1]=4 191 B5R0.1 CC(C)=CCN YH33589 [0,0,1,0,0,0|1,0,1]=3 192 B5R0.1 CC(C)=CCO LT3091 [0,0,1,0,0,0|2,0,1]=4 193 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,0,1,0,0,0|3,0,0]=4 194 B5R0.1 C\C(Cl)=C\CO RT17544 [0,0,1,0,0,0|3,0,0]=4 195 B5R0.1 C\C(I)=C/CO RT17534 [0,0,1,0,0,0|3,0,0]=4 196 B5R0.1 C\C(N)=C\C#N XJ1575 [0,0,1,0,0,0|2,0,1]=4 197 B5R0.2 C=CC\C=C\C HL0119 [0,0,1,0,0,0|2,0,0]=3 198 B5R0.2 C=C\C=C\C=O XJ1340 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.2 C\C=C\CCC XJ2577 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.3 C\C(=C/Br)CBr RT0636 [0,0,1,0,0,0|2,0,1]=4 201 B5R0.3 C\C(=C/Br)CO RT0550 [0,0,1,0,0,0|2,0,1]=4 202 B5R0.3 C\C=C(/C)C=O XJ0816 [0,0,1,0,0,0|2,0,0]=3 203 B5R1.2 O=C1CNC1 LQ4009 [0,0,0,0,1,0|1,0,2]=4 204 B7R1.3 BrC1=CC=NC=C1 RT15209 [0,0,0,0,0,1|2,0,0]=3 205 B7R1.3 BrC1=CC=NN=C1 LT0310 [0,0,0,0,0,1|1,0,1]=3 206 B7R1.3 BrC1=CC=NN=C1 RT8678 [0,0,0,0,0,1|1,0,1]=3 207 B7R1.3 BrC1=CN=CC=C1 LT6741 [0,0,0,0,0,1|2,0,0]=3 208 B7R1.3 BrC1=NC=CC=C1 LT3801 [0,0,0,0,0,1|3,0,0]=4 209 B7R1.3 BrC1=[15N]C=CC=C1 RT8856 [0,0,0,0,0,1|3,0,0]=4 210 B7R1.3 CC1=CC=NC=C1 RT15144 [0,0,0,0,0,1|1,0,0]=2 211 B7R1.3 CC1=CCC=CC1 LQ2664 [0,0,0,0,0,1|2,0,0]=3 212 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,0,0,1|2,0,1]=4 213 B7R1.3 CC1=CN=CC=C1 JZ1098 [0,0,0,0,0,1|1,0,0]=2 214 B7R1.3 CC1=CN=CN=C1 XJ2026 [0,0,0,0,0,1|0,0,1]=2 215 B7R1.3 CC1=NC=CC=C1 JZ2441 [0,0,0,0,0,1|2,0,0]=3 216 B7R1.3 CC1=NC=CC=C1 JZ4543 [0,0,0,0,0,1|2,0,0]=3 217 B7R1.3 ClC1=CC=CN=C1 LT6769 [0,0,0,0,0,1|2,0,0]=3 218 B7R1.3 ClC1=CC=CN=N1 XJ1615 [0,0,0,0,0,1|3,0,0]=4 219 B7R1.3 ClC1=CC=NC=C1 LT2787 [0,0,0,0,0,1|2,0,0]=3 220 B7R1.3 ClC1=CC=NC=C1 YH10789 [0,0,0,0,0,1|2,0,0]=3 221 B7R1.3 ClC1=CC=NC=N1 XJ4352 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 ClC1=CC=NC=N1 YH41122 [0,0,0,0,0,1|2,0,0]=3 223 B7R1.3 ClC1=CC=NN=C1 YH39647 [0,0,0,0,0,1|1,0,1]=3 224 B7R1.3 ClC1=CN=CC=N1 LT6518 [0,0,0,0,0,1|2,0,0]=3 225 B7R1.3 ClC1=NC=CC=C1 JZ1022 [0,0,0,0,0,1|3,0,0]=4 226 B7R1.3 Cl[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 RT11347 [0,0,0,0,0,1|3,0,0]=4 227 B7R1.3 FC1=CC=CC=N1 LT6551 [0,0,0,0,0,1|3,0,0]=4 228 B7R1.3 FC1=CC=NC=C1 LQ1346 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 FC1=CC=NC=C1 LX2788 [0,0,0,0,0,1|2,0,0]=3 230 B7R1.3 FC1=CN=CC=C1 LT2946 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 FC1=CN=CN=C1 HL0332 [0,0,0,0,0,1|1,0,1]=3 232 B7R1.3 IC1=CC=CC=C1 HL0102 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 IC1=CC=CC=N1 HL2853 [0,0,0,0,0,1|3,0,0]=4 234 B7R1.3 IC1=CC=CN=C1 XJ1614 [0,0,0,0,0,1|2,0,0]=3 235 B7R1.3 IC1=CC=NC=C1 YH37425 [0,0,0,0,0,1|2,0,0]=3 236 B7R1.3 NC1=CC=CC=C1 XJ0949 [0,0,0,0,0,1|3,0,0]=4 237 B7R1.3 NC1=CC=CN=C1 LT6719 [0,0,0,0,0,1|2,0,0]=3 238 B7R1.3 NC1=CC=NC=C1 CJ2909 [0,0,0,0,0,1|2,0,0]=3 239 B7R1.3 NC1=CC=NN=C1 XJ4576 [0,0,0,0,0,1|1,0,1]=3 240 B7R1.3 NC1=NC=CC=C1 LT1809 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 NC1=NC=NC=C1 LX2446 [0,0,0,0,0,1|2,0,0]=3 242 B7R1.3 NC1=NN=CC=C1 YH93684 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 O=C1C=CC=NN1 XJ0875 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 O=C1C=CN=CN1 HL2797 [0,0,0,0,0,1|2,0,0]=3 245 B7R1.3 OC1=CC=CC=C1 HL1861 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 OC1=CC=CN=C1 LT6810 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 OC1=CC=NC=C1 JZ0797 [0,0,0,0,0,1|2,0,0]=3 248 B7R1.3 OC1=CC=NN=C1 YH45348 [0,0,0,0,0,1|1,0,1]=3 249 B7R1.3 OC1=CN=CN=C1 M0300483 [0,0,0,0,0,1|1,0,1]=3 250 B7R1.3 OC1=NC=CC=C1 LT1595 [0,0,0,0,0,1|3,0,0]=4 251 B7R1.3 OC1=NC=NC=C1 YH04928 [0,0,0,0,0,1|2,0,0]=3 252 B7R1.3 S=C1C=CC=CN1 JZ2104 [0,0,0,0,0,1|3,0,0]=4 253 B7R1.3 S=C1C=CNC=N1 XJ1784 [0,0,0,0,0,1|2,0,0]=3 254 B7R1.3 SC1=CC=CN=C1 YH37913 [0,0,0,0,0,1|2,0,0]=3 255 B7R1.3 SC1=CC=NC=C1 HL2794 [0,0,0,0,0,1|2,0,0]=3 256 B7R1.3 SC1=NC=CC=C1 LT1808 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 SC1=NC=CN=C1 LQ4963 [0,0,0,0,0,1|2,0,0]=3 258 B7R1.3 [15NH2]C1=NC=CC=C1 RT2238 [0,0,0,0,0,1|3,0,0]=4 259 B7R1.3 [Hg+]C1=CC=CC=C1 HL1275 [0,0,0,0,0,1|3,0,0]=4 260 B7R1.3 [Hg+]C1=CC=CC=C1 LQ0034 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 [Li]C1=CC=CC=C1 HL0103 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 [O-]C1=CC=CC=C1 LQ3910 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 [SH2+]C1=CC=CC=C1 RT12088 [0,0,0,0,0,1|3,0,0]=4 264 B4R0.1 C#CC(=C)C LL0127 [1,0,1,0,0,0|1,0,1]=4 265 B4R0.1 C=C(C)C#N RT1064 [1,0,1,0,0,0|0,0,2]=4 266 B4R0.1 C=C(C)C=O RT1202 [1,0,1,0,0,0|1,0,0]=3 267 B4R0.1 C=C(C)CC LQ1059 [1,0,1,0,0,0|1,0,1]=4 268 B4R0.1 C=C(C)OC HL1466 [1,0,1,0,0,0|2,0,0]=4 269 B4R0.1 C=C(C)[Mg]Br JZ3721 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.1 C=C(N)NN LQ4301 [1,0,1,0,0,0|1,0,1]=4 271 B4R0.1 CC(=O)CN LX3064 [1,0,1,0,0,0|1,0,1]=4 272 B4R0.1 CC(=O)NBr XJ0071 [1,0,1,0,0,0|2,0,0]=4 273 B4R0.1 CC(=O)NN LQ1629 [1,0,1,0,0,0|1,0,1]=4 274 B4R0.1 COC(C)=N YH35544 [1,0,1,0,0,0|2,0,0]=4 275 B4R0.1 C\C=C(\C)Br JZ3724 [1,0,1,0,0,0|2,0,0]=4 276 B4R0.1 N=C(N)NN LT4835 [1,0,1,0,0,0|2,0,0]=4 277 B4R0.1 N=C(N)[NH2+]N LT4833 [1,0,1,0,0,0|2,0,0]=4 278 B4R0.1 NN=C(N)N LQ1626 [1,0,1,0,0,0|2,0,0]=4 279 B4R0.1 NN=C(N)N LT4832 [1,0,1,0,0,0|2,0,0]=4 280 B4R0.1 NN=C(N)N XJ0073 [1,0,1,0,0,0|2,0,0]=4 281 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [1,0,1,0,0,0|2,0,0]=4 282 B4R0.2 C=CCC=C HL0109 [1,0,1,0,0,0|2,0,0]=4 283 B4R0.2 C=CCCN LQ2198 [1,0,1,0,0,0|1,0,1]=4 284 B4R0.2 C=C\C=C\C XJ0878 [1,0,1,0,0,0|1,0,0]=3 285 B4R0.2 C\C=C/CO YH00287 [1,0,1,0,0,0|2,0,0]=4 286 B4R0.2 C\C=C\C=O XJ0511 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.2 C\C=C\CC XJ1213 [1,0,1,0,0,0|1,0,1]=4 288 B4R0.2 C\C=C\CCl HL0110 [1,0,1,0,0,0|2,0,0]=4 289 B4R0.2 C\C=C\CN YH07653 [1,0,1,0,0,0|1,0,0]=3 290 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,1,1,0,0,0|2,0,0]=4 291 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,1,1,0,0,0|2,0,0]=4 292 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [0,1,1,0,0,0|2,0,0]=4 293 B6R0.3 C=C(C)C(=O)OC XJ0124 [0,1,1,0,0,0|2,0,0]=4 294 B6R0.3 CC(=O)\C(C)=N\O LL0011 [0,1,1,0,0,0|2,0,0]=4 295 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 BrCC1=CC=CN=C1 YH03265 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.2 BrCC1=CC=CN=C1 YH65568 [0,1,0,0,0,1|1,0,0]=3 298 B8R1.2 BrCC1=CN=CN=C1 YH49551 [0,1,0,0,0,1|0,0,1]=3 299 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.2 C#CC1=CC=NC=C1 YH65004 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 C=CC1=CC=CN=C1 RT7678 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.2 C=CC1=NC=CN=C1 JZ1744 [0,1,0,0,0,1|1,0,1]=4 303 B8R1.2 CCC1=CC=CN=C1 JZ1084 [0,1,0,0,0,1|1,0,0]=3 304 B8R1.2 CCC1=CC=NC=C1 LL0974 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.2 CNC1=CC=CN=C1 LT2493 [0,1,0,0,0,1|1,0,0]=3 306 B8R1.2 CNC1=CC=NC=C1 LT6892 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.2 COC1=CC=CN=C1 LT6817 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.2 COC1=NC=CC=C1 LT2109 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.2 COC1=NC=CN=C1 LT2105 [0,1,0,0,0,1|1,0,0]=3 310 B8R1.2 CSC1=NC=CC=C1 LT2167 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.2 CSC1=NC=CN=C1 LT1494 [0,1,0,0,0,1|1,0,0]=3 312 B8R1.2 ClCC1=CC=CC=C1 HL1268 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [0,1,0,0,0,1|1,0,0]=3 315 B8R1.2 ClCC1=CC=CN=C1 YH53620 [0,1,0,0,0,1|1,0,0]=3 316 B8R1.2 ClCC1=CN=CN=C1 YH20882 [0,1,0,0,0,1|0,0,1]=3 317 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.2 ClCC1=NC=CC=C1 LT2316 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.2 ClCC1=NC=CN=C1 YH58834 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.2 ClCC1=NC=CN=C1 YH66696 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.2 N#CC1=CC=CN=C1 LT3052 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.2 N#CC1=CC=NC=C1 JZ0789 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.2 NCC1=CC=CC=C1 LQ1371 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.2 NCC1=CC=CN=C1 RT2311 [0,1,0,0,0,1|1,0,0]=3 325 B8R1.2 NCC1=CC=NC=C1 LL1070 [0,1,0,0,0,1|1,0,0]=3 326 B8R1.2 NCC1=CC=NC=C1 RT10176 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.2 NCC1=NC=CC=C1 HL2591 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.2 NCC1=NC=CN=C1 YH58835 [0,1,0,0,0,1|1,0,0]=3 329 B8R1.2 NNC1=CC=CN=C1 YH00904 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.2 NNC1=CC=CN=C1 YH12082 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.2 NNC1=CC=CN=C1 YH57193 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.2 NNC1=NC=CN=C1 YH06483 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.2 O=CC1=CC=CN=C1 RT10183 [0,1,0,0,0,1|1,0,1]=4 334 B8R1.2 O=CC1=CN=CN=C1 LX3173 [0,1,0,0,0,1|0,0,2]=4 335 B8R1.2 O=CC1=NC=CN=C1 HL3002 [0,1,0,0,0,1|1,0,1]=4 336 B8R1.2 O=CC1=NC=NC=C1 YH48930 [0,1,0,0,0,1|1,0,1]=4 337 B8R1.2 OCC1=CC=CC=C1 HL1271 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.2 OCC1=CC=CC=N1 LT2170 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.2 OCC1=CN=CC=C1 HL1274 [0,1,0,0,0,1|1,0,0]=3 340 B8R1.2 OCC1=CN=CN=C1 LX3222 [0,1,0,0,0,1|0,0,1]=3 341 B8R1.2 OCC1=NC=CN=C1 YH13049 [0,1,0,0,0,1|1,0,0]=3 342 B8R1.2 OCC1=NC=NC=C1 YH55246 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.2 SCC1=CC=CC=C1 HL1273 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.2 SCC1=NC=CN=C1 LQ5467 [0,1,0,0,0,1|1,0,0]=3 345 B8R1.3 BrC1=CC=C(Br)N=C1 XJ1164 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 BrC1=CC=C(I)C=N1 HL4485 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.3 BrC1=CN=C(Br)C=C1 LT3879 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.3 BrC1=CN=C(Br)C=N1 YH48173 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.3 BrC1=CN=C(I)N=C1 LT6080 [0,1,0,0,0,1|1,0,1]=4 350 B8R1.3 CC1=CC=C(C)N=C1 JZ0986 [0,1,0,0,0,1|1,0,0]=3 351 B8R1.3 CC1=CC=C(Cl)C=C1 HL1310 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.3 CC1=CC=C(F)C=C1 LL0677 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.3 CC1=CC=C(F)C=N1 LQ4679 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.3 CC1=CC=C(I)C=C1 XJ1165 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.3 CC1=CC=C(N)C=C1 RT11917 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.3 CC1=CC=C(N)C=C1 XJ0919 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.3 CC1=CC=C(N)C=C1 XJ0920 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.3 CC1=CC=C(O)C=N1 HL0641 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 CC1=CC=C([Hg+])C=C1 RT11940 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.3 CC1=CC=[N+]([O-])C=C1 HL0579 [0,1,0,0,0,1|1,0,1]=4 361 B8R1.3 CC1=CN=C(C)C=N1 JZ0984 [0,1,0,0,0,1|1,0,0]=3 362 B8R1.3 CC1=CN=C(Cl)C=C1 YH41921 [0,1,0,0,0,1|1,0,0]=3 363 B8R1.3 CC1=CN=C(Cl)N=C1 LX2634 [0,1,0,0,0,1|0,0,1]=3 364 B8R1.3 CC1=CN=C(F)C=C1 LQ2150 [0,1,0,0,0,1|1,0,0]=3 365 B8R1.3 CC1=CN=C(N)C=C1 RT2045 [0,1,0,0,0,1|1,0,0]=3 366 B8R1.3 CC1=CN=C(N)C=N1 YH06780 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.3 CC1=CN=C(O)C=C1 LT3568 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.3 CC1=NC=C(Br)C=C1 JZ0784 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.3 CC1=NC=C(I)C=C1 YH65880 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.3 CC1=NC=C(N)C=C1 JZ1162 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.3 CC1=NC=C(N)C=N1 YH59197 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.3 CC1=NC=C(O)C=C1 YH65665 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 CC1=NC=C(O)C=N1 RT8630 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.3 CC1=NNC(=S)C=C1 HL3009 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.3 CN1C=CC(=O)C=C1 RT6737 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.3 ClC1=CC=C(Cl)N=C1 XJ4241 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 ClC1=CC=C(I)N=C1 HL3909 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.3 ClC1=CN=C(Br)C=C1 LQ5037 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.3 ClC1=CN=C(Cl)C=N1 YH43754 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.3 ClC1=CN=C(Cl)N=C1 M0300481 [0,1,0,0,0,1|1,0,1]=4 381 B8R1.3 ClC1=CN=C(I)N=C1 YH91561 [0,1,0,0,0,1|1,0,1]=4 382 B8R1.3 ClC1=NC=C(Br)C=N1 LT6079 [0,1,0,0,0,1|1,0,1]=4 383 B8R1.3 ClC1=NC=C(I)C=C1 LT3338 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 ClC1=NC=C(I)C=N1 XJ5110 [0,1,0,0,0,1|1,0,1]=4 385 B8R1.3 FC1=CC=C(Br)N=C1 LT1672 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.3 FC1=CC=C(Cl)N=C1 LQ4702 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.3 FC1=CN=C(Cl)N=C1 XJ5988 [0,1,0,0,0,1|1,0,1]=4 388 B8R1.3 FC1=CN=C(I)C=C1 YH37653 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.3 FC1=NC=C(Br)C=C1 XJ1359 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.3 FC1=NC=C(Br)C=N1 XJ5987 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.3 FC1=NC=C(Cl)C=C1 HL0871 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.3 IC1=CN=C(I)C=N1 RT10039 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.3 NC1=CC=C(Br)C=N1 JZ1004 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.3 NC1=CC=C(O)C=N1 YH07059 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.3 NC1=CN=C(Br)C=C1 LQ3664 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.3 NC1=CN=C(Cl)C=C1 LT3591 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.3 NC1=CN=C(F)C=C1 HL2006 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.3 NC1=CN=C(I)C=C1 XJ5029 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.3 NC1=CN=C(N)C=C1 LT0141 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.3 NC1=CN=C(N)C=C1 LT3284 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.3 NC1=CN=C(O)C=C1 LT3510 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.3 NC1=CN=C(O)C=C1 YH26818 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.3 NC1=CN=C(O)C=C1 YH55281 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.3 NC1=NC=C(Br)N=C1 RT2372 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.3 NC1=NC=C(Cl)C=C1 LT3542 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.3 NC1=NC=C(Cl)C=N1 HL2979 [0,1,0,0,0,1|1,0,1]=4 407 B8R1.3 NC1=NC=C(Cl)N=C1 YH55052 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.3 NC1=NC=C(F)C=C1 LT3563 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.3 NC1=NC=C(I)C=C1 LT1940 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.3 NC1=NC=C(O)C=N1 LT5858 [0,1,0,0,0,1|1,0,1]=4 411 B8R1.3 OC1=CC=C(Br)C=N1 YH32505 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.3 OC1=CC=C(I)N=C1 RT14095 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.3 OC1=CN=C(Br)C=C1 RT15425 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.3 OC1=CN=C(Cl)C=C1 LX2869 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.3 OC1=CN=C(Cl)N=C1 XJ2828 [0,1,0,0,0,1|1,0,1]=4 416 B8R1.3 OC1=CN=C(F)C=C1 LQ5323 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.3 OC1=NC=C(Br)C=N1 LT6081 [0,1,0,0,0,1|1,0,1]=4 418 B8R1.3 OC1=NC=C(Br)N=C1 YH57694 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.3 OC1=NC=C(Cl)C=C1 HL2729 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.3 OC1=NC=C(Cl)C=N1 LT3547 [0,1,0,0,0,1|1,0,1]=4 421 B8R1.3 OC1=NC=C(Cl)N=C1 YH93671 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.3 OC1=NC=C(F)C=C1 YH04459 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.3 OC1=NC=C(I)C=C1 LT3565 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.4 BrC1=CC(Br)=NC=C1 LQ5413 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.4 BrC1=CC(Br)=NC=N1 YH57413 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.4 BrC1=CC=NC(Br)=N1 LQ2525 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.4 BrC1=CN=CC(Br)=C1 HL0210 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.4 BrC1=CN=CC(Br)=N1 LQ4403 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.4 CC1=CC(Br)=NC=C1 JZ0770 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.4 CC1=CC(C)=NC=C1 LT0137 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.4 CC1=CC(Cl)=NC=N1 LQ2446 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.4 CC1=CC(F)=CC=C1 YH56452 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.4 CC1=CC(F)=NC=C1 HL1857 [0,1,0,0,0,1|1,0,0]=3 434 B8R1.4 CC1=CC(I)=CC=C1 SY0266 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.4 CC1=CC(I)=NC=C1 XJ4661 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.4 CC1=CC(N)=CN=C1 HL2566 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.4 CC1=CC(N)=NC=C1 LT2288 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.4 CC1=CC(N)=NC=C1 LT3916 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.4 CC1=CC(O)=CC=C1 JZ0053 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.4 CC1=CC(O)=CN=C1 LQ5076 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.4 CC1=CC(S)=CC=C1 LQ0397 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.4 CC1=CC(S)=NC=C1 YH41922 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.4 CC1=CC=CC(Br)=N1 LT3715 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.4 CC1=CC=CC(C)=N1 LT0202 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.4 CC1=CC=CC(Cl)=N1 LT3934 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.4 CC1=CC=CC(F)=N1 LQ0822 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.4 CC1=CC=CC(O)=N1 XJ2432 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.4 CC1=CC=NC(Br)=N1 YH31425 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.4 CC1=CN=CC(Br)=C1 HL2565 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.4 CC1=CN=CC(C)=N1 JZ0990 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.4 CC1=CN=CC(Cl)=N1 LQ4966 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.4 CC1=CN=CC(F)=C1 LQ0821 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.4 CC1=CN=CC(N)=N1 JZ2741 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.4 CC1=NC(Cl)=CC=C1 LT3343 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.4 CC1=NC(Cl)=NC=C1 LT5821 [0,1,0,0,0,1|1,0,0]=3 456 B8R1.4 CC1=NC(N)=CC=C1 JZ0765 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.4 CC1=NC(O)=NC=C1 XJ2871 [0,1,0,0,0,1|1,0,0]=3 458 B8R1.4 CC1=NC=CC(Br)=C1 XJ4664 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.4 CC1=NC=CC(Br)=N1 YH24893 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.4 CC1=NC=CC(Cl)=C1 XJ2546 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.4 CC1=NC=CC(Cl)=C1 XJ5470 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.4 CC1=NC=CC(N)=C1 LT3948 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.4 CC1=NC=CC(N)=C1 LT5935 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.4 CC1=NC=CC(O)=C1 LX2783 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.4 CC1=NC=NC(Cl)=C1 LX3146 [0,1,0,0,0,1|1,0,0]=3 466 B8R1.4 ClC1=CC(Br)=CC=N1 HL4510 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.4 ClC1=CC(Br)=CN=C1 HL4511 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.4 ClC1=CC(Cl)=NC=C1 LT3281 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.4 ClC1=CC(Cl)=NC=N1 LT3099 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.4 ClC1=CC(I)=CN=C1 LT3806 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.4 ClC1=CC=NC(Br)=C1 LT3311 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.4 ClC1=CN=CC(Cl)=C1 JZ0261 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.4 ClC1=CN=CC(Cl)=N1 LT0181 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.4 ClC1=CN=NC(Cl)=C1 HL2014 [0,1,0,0,0,1|1,0,1]=4 475 B8R1.4 ClC1=NC(Cl)=NC=C1 RT7782 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.4 FC1=CC(Br)=CC=N1 LQ5549 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.4 FC1=CC=NC(Br)=C1 LX2761 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.4 FC1=CC=NC(Cl)=C1 XJ5215 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.4 FC1=CC=NC(F)=C1 XJ5214 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.4 FC1=CN=CC(Br)=C1 LQ0820 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.4 FC1=CN=CC(Cl)=C1 LL2930 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.4 FC1=CN=CC(F)=C1 YH15508 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.4 FC1=NC=CC(I)=C1 XJ4662 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.4 NC1=CC(Cl)=NC=C1 RT2041 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.4 NC1=CC(Cl)=NC=N1 JZ2693 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.4 NC1=CC(F)=NC=C1 LX2902 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 NC1=CC(N)=NC=C1 HL1858 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.4 NC1=CC(N)=NC=N1 SY0200 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.4 NC1=CC(O)=CC=N1 LQ4780 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 NC1=CC(O)=NC=C1 RT8637 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 NC1=CC=NC(Br)=C1 LT2715 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.4 NC1=CC=NC(Cl)=N1 XJ3320 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.4 NC1=CN=CC(Cl)=C1 YH47450 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.4 NC1=CN=CC(F)=C1 HL3888 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.4 NC1=CN=CC(N)=C1 LT5132 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.4 NC1=NC(=O)NC=C1 LT7700 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.4 NC1=NC(Cl)=CC=N1 LT6009 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.4 NC1=NC(Cl)=CN=C1 RT2592 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.4 NC1=NC(N)=NC=C1 LQ0649 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.4 NC1=NC(O)=CC=N1 JZ1002 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.4 NC1=NC=CC(Br)=C1 LT4052 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.4 NC1=NC=CC(Cl)=C1 LT3446 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.4 NC1=NC=CC(F)=C1 YH65600 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.4 NC1=NC=CC(I)=C1 YH06793 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.4 NC1=NC=CC(O)=N1 LT0242 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 NC1=NC=NC(O)=C1 JZ4469 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 O=C1C=C(Cl)N=CC1 M0300599 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.4 O=C1C=C(I)C=NN1 CJ2987 [0,1,0,0,0,1|1,0,0]=3 509 B8R1.4 O=C1C=C(S)NC=N1 JZ1204 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.4 O=C1C=NNC(=O)N1 JZ1075 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.4 O=C1C=NNC(=O)N1 LQ4101 [0,1,0,0,0,1|1,0,0]=3 512 B8R1.4 OC1=CC(Br)=NC=C1 XJ5246 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 OC1=CC(Cl)=CN=C1 LL1342 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 OC1=CC(F)=CN=C1 HL3875 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 OC1=CC(F)=NC=C1 YH47375 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 OC1=CC=NC(O)=C1 HL0216 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 OC1=CN=CC(Br)=C1 LL1343 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 OC1=NC=CC(Br)=C1 XJ5245 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 OC1=NC=CC(Br)=C1 YH57481 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 OC1=NC=CC(Cl)=C1 LQ5067 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 OC1=NC=CC(F)=C1 YH98386 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.4 OC1=NC=NC(Cl)=C1 JZ1201 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.5 BrC1=CC=CN=C1Br LQ3662 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.5 CC1=C(Br)C=CN=C1 XJ3543 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.5 CC1=C(Br)C=NC=C1 JZ0795 [0,1,0,0,0,1|1,0,0]=3 526 B8R1.5 CC1=C(C)C=CC=C1 LQ0273 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.5 CC1=C(C)C=NC=C1 XJ1007 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.5 CC1=C(Cl)C=CN=C1 LQ1897 [0,1,0,0,0,1|1,0,0]=3 529 B8R1.5 CC1=C(Cl)C=CN=C1 XJ4531 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.5 CC1=C(F)C=CC=C1 YH97940 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.5 CC1=C(F)C=CC=N1 JZ5076 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.5 CC1=C(F)C=NC=C1 YH59267 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.5 CC1=C(N)C=NC=C1 RT2358 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.5 CC1=C(N)N=CC=C1 CJ2791 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.5 CC1=C(O)C=CN=C1 XJ4659 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.5 CC1=C(O)C=NC=C1 YH25048 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.5 CC1=CC=CC=C1N JZ4019 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.5 CC1=CC=CC=C1N LQ0277 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.5 CC1=CC=CN=C1Br JZ0769 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.5 CC1=CC=CN=C1O HL0576 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.5 CC1=CN=CC=C1Br YH00293 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.5 CC1=CN=CC=C1N JZ1864 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.5 CC1=NC=CC=C1Br LQ4989 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.5 CC1=NC=CC=C1Cl YH65571 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.5 CC1=NC=CC=C1N HL2564 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.5 CC1=NC=CC=C1O LT5849 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.5 CC1=NC=CN=C1Cl LQ0279 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.5 CC1=NC=CN=C1N YH43939 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.5 CC1=NC=NC=C1N LQ2453 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.5 CC1=[N+]([O-])C=CC=C1 JZ0744 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.5 CC1C=CN=NC1=O YH55165 [0,1,0,0,0,1|0,0,2]=4 552 B8R1.5 CN1C=CC=NC1=O YH57685 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.5 ClC1=C(Br)C=CN=C1 HL4512 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.5 ClC1=C(Br)C=NC=C1 XJ5248 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.5 ClC1=C(Cl)C=NC=C1 LQ5346 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.5 ClC1=C(Cl)N=CC=C1 JZ1997 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.5 ClC1=C(Cl)N=CC=N1 RT11165 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.5 ClC1=C(I)C=NC=N1 YH11357 [0,1,0,0,0,1|1,0,1]=4 559 B8R1.5 ClC1=CN=CN=C1Cl LX2461 [0,1,0,0,0,1|1,0,1]=4 560 B8R1.5 ClC1=NC=CC=C1Br LT2446 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.5 ClC1=NC=CC=C1I LT3926 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.5 ClC1=NC=CC=C1I RT17630 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.5 FC1=C(Br)C=CC=N1 LQ4912 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.5 FC1=C(Br)C=NC=C1 LL1934 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.5 FC1=C(Cl)C=CN=C1 LQ2223 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.5 FC1=C(Cl)C=CN=C1 XJ6907 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.5 FC1=C(F)C=NC=C1 LX3232 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.5 FC1=C(F)N=CC=C1 LQ1799 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.5 FC1=C(I)C=CN=C1 XJ4663 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.5 FC1=CC=CN=C1Br LQ5002 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.5 FC1=CC=CN=C1Cl LT3265 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.5 FC1=CC=NC=C1Cl YH92131 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.5 FC1=CN=CC=C1Br LQ2222 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.5 FC1=NC=CC=C1Cl HL0870 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.5 FC1=NC=CC=C1I LT3358 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.5 IC1=CC=CN=C1I LT3876 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.5 NC1=C(Br)C=CC=N1 LQ3666 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.5 NC1=C(Br)C=CN=C1 YH48633 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.5 NC1=C(Br)C=NC=C1 LQ3665 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.5 NC1=C(Cl)C=CN=C1 JZ5401 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.5 NC1=C(F)C=NC=C1 XJ2124 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.5 NC1=C(I)C=NC=C1 XJ6581 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.5 NC1=C(N)C=NC=C1 LQ0029 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.5 NC1=C(N)N=CN=C1 XJ3980 [0,1,0,0,0,1|1,0,1]=4 585 B8R1.5 NC1=C(O)C=CC=N1 LT0236 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.5 NC1=C(O)C=CN=C1 LQ3070 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.5 NC1=C(O)C=NC=C1 RT2267 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.5 NC1=C(O)N=CC=C1 LX2871 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.5 NC1=CC=CN=C1Br YH59182 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.5 NC1=CC=CN=C1Cl LT6701 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.5 NC1=CC=CN=C1F LX2048 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.5 NC1=CC=CN=C1I YH45611 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.5 NC1=CC=CN=C1N YH15322 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.5 NC1=CC=NC=C1Cl RT2201 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.5 NC1=NC=CC=C1Cl XJ5382 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.5 NC1=NC=CC=C1F LQ4289 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.5 NC1=NC=CC=C1I LT3192 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.5 NC1=NC=CN=C1Cl JZ3005 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.5 O=C1N=CNC=C1Br YH65490 [0,1,0,0,0,1|1,0,0]=3 600 B8R1.5 O=C1N=CNC=C1O LX2213 [0,1,0,0,0,1|1,0,0]=3 601 B8R1.5 OC1=C(Br)C=CN=C1 RT1983 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.5 OC1=C(Br)C=NC=C1 XJ5247 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.5 OC1=C(Cl)C=CN=C1 HL4980 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.5 OC1=C(I)C=CN=C1 CJ2110 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.5 OC1=C(O)C=NC=C1 LX3240 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.5 OC1=C(O)C=NN=C1 YH06821 [0,1,0,0,0,1|1,0,1]=4 607 B8R1.5 OC1=C(O)N=CC=C1 LT0084 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.5 OC1=CC=CN=C1Br CJ2954 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.5 OC1=CC=CN=C1F HL3683 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.5 OC1=CC=CN=C1I LT3366 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.5 OC1=NC=CC=C1Br LT5508 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.5 OC1=NC=CC=C1F JZ4618 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.1 CC1=CC(CO)=NO1 YH56334 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.1 CC1=NOC(CO)=C1 YH35431 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.1 CCC1=CN=C(N)S1 YH58784 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.1 CCC1=NC(C)=CN1 YH96350 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.1 CCN1C=C[N+](C)=C1 LL2794 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.1 CCN1C=C[N+](C)=C1 YH34555 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.1 CN1C=C(CO)C=N1 YH25019 [0,2,0,0,0,0|0,0,0]=2 621 B8R1.1 CN1C=CC(CO)=N1 YH88989 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.1 COC1=CC(N)=NN1 RT4437 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.1 COC1=CN=C(C)S1 LT1946 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.1 ClCC1=CN=C(Cl)S1 CJ3020 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.1 NC1=NC=C(CO)S1 RT4658 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.1 NCC1=CN=C(Cl)S1 YH28200 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.1 O=CC1=CC(Br)=CN1 RT4583 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.7 CC(=O)C1=CN=NS1 YH33246 [0,2,0,0,0,0|1,0,1]=4 629 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [0,2,0,0,0,0|1,0,0]=3 630 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.7 CC(=O)N1C=CN=C1 YH49188 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.7 CC(C)N1C=CN=C1 LX2496 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.7 CC(N)C1=CN=CO1 RT14536 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [0,2,0,0,0,0|0,0,1]=3 636 B8R1.7 O=[N+]([O-])C1=CNN=C1 HL2127 [0,2,0,0,0,0|1,0,0]=3 637 B8R1.7 O=[N+]([O-])C1=NNN=C1 YH88855 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.8 C=CCN1C=CN=C1 LQ4711 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.8 CNCC1=CC=NO1 YH59432 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.8 ClCCC1=CNC=N1 YH65151 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.8 N#CCC1=CC=NO1 RT9281 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.8 N#CCC1=CSC=C1 LT0742 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.8 N#CCN1C=CN=C1 LL1748 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.8 NCCC1=CC=NN1 RT1410 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.8 NCCC1=CNC=N1 HL1018 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.8 NCCC1=CNC=N1 LQ0056 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.8 NCCN1C=CN=C1 XJ2978 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.8 OCCC1=CNC=N1 XJ1421 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.11 CC1=C(CO)N=CN1 LX2659 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.11 CC1=C(CO)NC=N1 LT2845 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.11 CC1=C(CO)SC=N1 YH43789 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.11 CCC1=CNN=C1N YH65440 [0,2,0,0,0,0|0,0,0]=2 653 B8R1.11 CCN1N=NNC1=O RT15442 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.11 CN1N=CC=C1CN YH90470 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.11 CN1N=CC=C1CO YH88988 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.11 CSC1=C(C)OC=C1 XJ6013 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.11 CSC1=NC=CN1C RT14347 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.11 ClCC1=C(Cl)SC=C1 HL3229 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.11 N#CC1=C(N)NN=C1 LT1318 [0,2,0,0,0,0|0,0,1]=3 660 B8R1.11 N#CC1=CNN=C1N LQ3929 [0,2,0,0,0,0|0,0,1]=3 661 B8R1.11 O=CC1=NNC=C1Cl RT4553 [0,2,0,0,0,0|1,0,0]=3 662 B8R1.18 CC1=C(C)SC(N)=N1 YH47910 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.18 CC1=CN(C)N=C1N RT4446 [0,2,0,0,0,0|0,0,0]=2 664 B8R1.18 CC1=NN(C)C(Cl)=C1 RT14543 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.18 CC1=NN(C)C=C1N RT4440 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.18 CN1C=C(Br)C(N)=N1 HL3546 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.50 CC1=C(C)C(=O)NN1 RT14157 [0,2,0,0,0,0|0,0,1]=3 668 B8R1.50 CC1=C(N)C=NN1C RT4423 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.50 CC1=NC=C(Br)N1C YH48761 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.50 CC1=NNC(C)=C1N YH05352 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.50 CC1=NNC(N)=C1Br RT1988 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.50 CC1=NOC(C)=C1I LQ3475 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.50 CC1=NOC(C)=C1N LT5723 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.50 CC1=NOC(N)=C1C LQ4162 [0,2,0,0,0,0|1,0,0]=3 675 B8R1.50 CN1C=NC(Cl)=C1Cl JZ4459 [0,2,0,0,0,0|2,0,0]=4 676 B6R1.1 C1=CC=NC=C1 JZ1746 [0,0,1,1,0,0|1,0,1]=4 677 B6R1.1 C1=CC=NC=C1 JZ1747 [0,0,1,1,0,0|1,0,1]=4 678 B6R1.1 C1=CC=NC=C1 XJ5983 [0,0,1,1,0,0|1,0,1]=4 679 B4R1.2 CC1=CC1 LQ2353 [0,0,0,0,2,0|0,0,1]=3 680 B4R1.2 CC1CN1 RT4107 [0,0,0,0,2,0|0,0,2]=4