0 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=NC=CS1 CDS000301 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1=NNC=N1 CDS020176 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,0,0,0|1,0,3]=4 7 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,0,0,0|1,0,3]=4 9 B6R1.2 ClC1=CNN=C1 CDS019988 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 ClC1=NN=CS1 CBR01805 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 N1C=CN=C1N CDS020502 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 NC1=CN=CS1 CDS008189 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 NC1=NC=CS1 R646520 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 NC1=NN=CN1 CDS019982 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 NN1C=CC=C1 CDS000078 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 OC1=NN=CS1 CBR01616 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 S=C1NC=CS1 PH000321 [0,0,0,0,0,0|3,0,1]=4 23 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,0,0|1,0,2]=4 24 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 CCC1=CNN=C1 CBR01738 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,0,0,0|1,0,2]=4 29 B7R1.1 CSC1=CC=CS1 R436550 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,1,0,0,0,0|1,0,1]=3 31 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,1,0,0,0,0|0,0,3]=4 38 B7R1.1 N1CCN=C1NC S897086 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 NCC1=CN=CS1 CDS007657 [0,1,0,0,0,0|1,0,1]=3 40 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 NCC1=CSN=N1 CDS019170 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 NCC1=NC=CS1 CDS023086 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 NCC1=NC=CS1 PHB00196 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 NCC1=NOC=N1 CDS019857 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 O=CC1=CNN=N1 CDS009687 [0,1,0,0,0,0|1,0,1]=3 46 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 OCC1=CC=CN1 CDS009556 [0,1,0,0,0,0|1,0,1]=3 49 B7R1.1 OCC1=CN=CS1 CDS004659 [0,1,0,0,0,0|1,0,1]=3 50 B7R1.1 OCC1=CNN=C1 CDS015812 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 OCC1=NOC=C1 PHB00207 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 SCC1=CC=CS1 CDS000069 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.2 BrC1=COC(=C1)Br T266507 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.2 BrC1=NNC(=N1)Br CDS002983 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.2 CC1=CSC(=N1)N S366536 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,1,0,0,0,0|1,0,1]=3 59 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,1,0,0,0,0|1,0,2]=4 61 B7R1.2 CC1=NN=C(O1)N PH010741 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,1,0,0,0,0|1,0,0]=2 66 B7R1.2 CC1=NOC(=N1)C PH016136 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.2 CC1CNC(=S)S1 S920002 [0,1,0,0,0,0|1,0,2]=4 69 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,1,0,0,0,0|1,0,1]=3 73 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,1,0,0,0,0|1,0,1]=3 74 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,1,0,0,0,0|1,0,1]=3 75 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.2 ClC1=NNC(=N1)Br CBR01726 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 SC1=NSC(=N1)S S22773 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.4 BrC1=NNC=C1I PHB00279 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.4 CC1=NNC=C1I BML00217 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.4 CN1C=CN=C1I ANV00120 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.4 CN1C=CN=C1I CDS005078 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.4 CN1C=CN=C1N CBR02443 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.4 CN1C=CSC1=N S945749 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.4 CN1N=CC=C1Br CBR02073 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.4 CN1N=CN=C1Br CBR01745 [0,1,0,0,0,0|1,0,1]=3 100 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,1,0,0,0,0|1,0,1]=3 101 B7R1.4 CN1N=NN=C1I CBR00176 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.4 CN1N=NN=C1S S240761 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.4 IC1=CSC=C1I R254975 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.1 C=C(C)CSC S866024 [0,0,1,0,0,0|3,0,0]=4 106 B5R0.1 C=COC(=O)C S458201 [0,0,1,0,0,0|3,0,0]=4 107 B5R0.1 CC(=O)/C=C\N S312274 [0,0,1,0,0,0|2,0,0]=3 108 B5R0.1 CC(=O)CCN OTV000740 [0,0,1,0,0,0|2,0,1]=4 109 B5R0.1 CNCC(=O)C CBR02406 [0,0,1,0,0,0|1,0,2]=4 110 B5R0.3 C/C(=C\Br)/CO S881295 [0,0,1,0,0,0|3,0,0]=4 111 B5R0.3 C/C(=N\O)/CS R262161 [0,0,1,0,0,0|2,0,1]=4 112 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,0,0,0,0,1|1,0,1]=3 114 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,0,0,0,0,1|2,0,1]=4 115 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,0,0,0,1|1,0,1]=3 116 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,0,0,1|1,0,1]=3 117 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,1|1,0,2]=4 118 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,1|1,0,1]=3 119 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,0,0,1|1,0,2]=4 120 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,0,0,1|1,0,2]=4 121 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 NC1=CC=CC=N1 S822329 [0,0,0,0,0,1|2,0,0]=3 123 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,0,0,0,0,1|2,0,1]=4 124 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,0,0,1|2,0,1]=4 125 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,0,0,1|2,0,0]=3 126 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,1|3,0,0]=4 127 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,0,0,0,1|2,0,1]=4 128 B7R1.3 S=C1C=CSC=C1 S874310 [0,0,0,0,0,1|3,0,0]=4 129 B7R1.3 SC1=NC=CC=N1 S565652 [0,0,0,0,0,1|2,0,0]=3 130 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,0,0,0,1|3,0,0]=4 131 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,0,0,0,0,1|1,0,1]=3 132 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,0,0,0,1|3,0,0]=4 133 B4R0.1 C=C(C)CN CDS003053 [1,0,1,0,0,0|0,0,1]=3 134 B4R0.1 CC(=O)CN CDS020585 [1,0,1,0,0,0|1,0,1]=4 135 B4R0.2 C=CCCN CDS021978 [1,0,1,0,0,0|1,0,1]=4 136 B6R0.2 CC(=CN(C)C)C S365297 [0,1,1,0,0,0|1,0,1]=4 137 B6R0.2 CC(=S)CC(=O)N S704164 [0,1,1,0,0,0|2,0,0]=4 138 B6R0.4 C=COCC(=C)C T284386 [0,1,1,0,0,0|2,0,0]=4 139 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,1,0,0,0,1|0,0,2]=4 140 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,1,0,0,0,1|1,0,0]=3 141 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,1,0,0,0,1|1,0,0]=3 142 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,1,0,0,0,1|1,0,1]=4 143 B8R1.2 NCC1=CC=CC=C1 S696684 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.2 NCC1=CN=CC=C1 S763780 [0,1,0,0,0,1|1,0,0]=3 145 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,1,0,0,0,1|0,0,1]=3 146 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,1,0,0,0,1|0,0,2]=4 147 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,1,0,0,0,1|1,0,0]=3 148 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,1,0,0,0,1|0,0,1]=3 149 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,1,0,0,0,1|0,0,1]=3 150 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,0,0,1|1,0,0]=3 151 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,1,0,0,0,1|1,0,0]=3 152 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,1,0,0,0,1|1,0,0]=3 153 B8R1.3 CC1=NN=C(N=N1)C T170577 [0,1,0,0,0,1|1,0,1]=4 154 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,1,0,0,0,1|1,0,0]=3 155 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,0,0,1|1,0,1]=4 156 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,1,0,0,0,1|2,0,0]=4 157 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,1,0,0,0,1|2,0,0]=4 158 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [0,1,0,0,0,1|1,0,1]=4 160 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [0,1,0,0,0,1|1,0,1]=4 161 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [0,1,0,0,0,1|1,0,1]=4 162 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [0,1,0,0,0,1|1,0,1]=4 163 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,1,0,0,0,1|1,0,1]=4 166 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,1,0,0,0,1|1,0,1]=4 167 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,1,0,0,0,1|1,0,1]=4 171 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,0,0,1|1,0,0]=3 172 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,0,0,1|1,0,1]=4 174 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,0,0,1|1,0,1]=4 175 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,1,0,0,0,1|1,0,1]=4 177 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,1,0,0,0,1|1,0,0]=3 178 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,1,0,0,0,1|1,0,0]=3 179 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,1,0,0,0,1|0,0,1]=3 180 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,1,0,0,0,1|0,0,1]=3 181 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,1,0,0,0,1|0,0,1]=3 182 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,1,0,0,0,1|1,0,1]=4 184 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,1,0,0,0,1|1,0,1]=4 187 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,1,0,0,0,1|2,0,0]=4 188 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,1,0,0,0,1|1,0,1]=4 189 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,1,0,0,0,1|1,0,1]=4 190 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,1,0,0,0,1|1,0,1]=4 197 B8R1.4 NC1=NC=NC(=N1)N S367753 [0,1,0,0,0,1|1,0,1]=4 198 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,1,0,0,0,1|1,0,1]=4 205 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,1,0,0,0,1|1,0,1]=4 206 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,1,0,0,0,1|1,0,1]=4 207 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,1,0,0,0,1|0,0,1]=3 209 B8R1.5 CC1=NC=CN=C1S PH014228 [0,1,0,0,0,1|0,0,1]=3 210 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.5 FC1=CN=CN=C1S S217271 [0,1,0,0,0,1|1,0,1]=4 214 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,1,0,0,0,1|1,0,1]=4 218 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.1 C(=O)C1=CSC(=N1)Cl SYX00410 [0,2,0,0,0,0|1,0,1]=4 226 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.1 CC1=CC(=NO1)CO L482684 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,2,0,0,0,0|1,0,1]=4 229 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,2,0,0,0,0|1,0,1]=4 230 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,2,0,0,0,0|1,0,1]=4 231 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,2,0,0,0,0|1,0,1]=4 234 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,2,0,0,0,0|1,0,1]=4 235 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.1 CC1=NNC(=N1)CCl CBR02414 [0,2,0,0,0,0|1,0,0]=3 237 B8R1.1 CC1=NNC(=N1)CN PH017721 [0,2,0,0,0,0|1,0,0]=3 238 B8R1.1 CC1=NNC(=N1)CO CBR02415 [0,2,0,0,0,0|1,0,0]=3 239 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,2,0,0,0,0|2,0,0]=4 240 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,2,0,0,0,0|2,0,0]=4 241 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,2,0,0,0,0|2,0,0]=4 242 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,2,0,0,0,0|1,0,1]=4 243 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,2,0,0,0,0|1,0,1]=4 244 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,2,0,0,0,0|1,0,1]=4 246 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.1 CCC1=NNC(=N1)N CBR00022 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.1 CCN1C=NC(=N1)N CBR02286 [0,2,0,0,0,0|1,0,1]=4 251 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,2,0,0,0,0|1,0,1]=4 253 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,2,0,0,0,0|0,0,0]=2 254 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,2,0,0,0,0|0,0,0]=2 255 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.1 COC1=NC(=NN1)Br CBR01778 [0,2,0,0,0,0|1,0,1]=4 259 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,2,0,0,0,0|2,0,0]=4 260 B8R1.1 COC1=NSC(=N1)N PH017254 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,2,0,0,0,0|1,0,0]=3 263 B8R1.1 N#CC1=CC(=CN1)Br CBR01780 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.1 NCC1=NC(=NN1)N CBR01567 [0,2,0,0,0,0|1,0,1]=4 267 B8R1.1 NCC1=NNC(=O)N1 CBR02276 [0,2,0,0,0,0|1,0,1]=4 268 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,2,0,0,0,0|1,0,1]=4 271 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,2,0,0,0,0|1,0,1]=4 272 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,2,0,0,0,0|2,0,0]=4 275 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,2,0,0,0,0|2,0,0]=4 279 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,2,0,0,0,0|1,0,1]=4 281 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,2,0,0,0,0|0,0,1]=3 282 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,2,0,0,0,0|1,0,1]=4 283 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,2,0,0,0,0|1,0,1]=4 284 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.8 CNCC1=CC=CS1 PH012021 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.8 CNCC1=CSC=C1 PH015792 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.11 C=CN1C=CN=C1C S463205 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,2,0,0,0,0|0,0,0]=2 300 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.11 CC1=NON=C1CN CDS002297 [0,2,0,0,0,0|1,0,1]=4 303 B8R1.11 CCN1N=CN=C1Br CBR01775 [0,2,0,0,0,0|1,0,1]=4 304 B8R1.11 CCN1N=CN=C1N CBR00782 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.11 CN1C=CN=C1CN CDS002678 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.11 CN1C=CN=C1CO CDS014909 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.11 COC1=NON=C1N CBR00076 [0,2,0,0,0,0|1,0,1]=4 309 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,2,0,0,0,0|1,0,0]=3 312 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [0,2,0,0,0,0|1,0,1]=4 320 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [0,2,0,0,0,0|1,0,1]=4 321 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,2,0,0,0,0|1,0,0]=3 324 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.18 CN1N=C(N=C1N)Cl CBR01692 [0,2,0,0,0,0|1,0,1]=4 328 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,2,0,0,0,0|1,0,1]=4 331 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.50 CC1=NNC(=C1N)C L203173 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.50 CC1=NNC(=C1O)C S720429 [0,2,0,0,0,0|2,0,0]=4 334 B6R1.1 C1=CC=NC=C1 S503533 [0,0,1,1,0,0|1,0,1]=4