0 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 NC1=CC=CC=N1 S822329 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,0,0,0|1,0,1]=2 10 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 S=C1C=CSC=C1 S874310 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 SC1=NC=CC=N1 S565652 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.1 C1=CC=CC=C1 S458074 [1,0,0,0,0,0|1,0,0]=2 18 B6R1.1 C1=CC=NC=C1 S503533 [1,0,0,0,0,0|0,0,0]=1 19 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.2 C1(C=CCC=C1)CO T175528 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 NCC1=CC=CC=C1 S696684 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.2 NCC1=CN=CC=C1 S763780 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,1,0,0,0,0|1,1,0]=3 30 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,0,0,0|1,0,2]=4 62 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,1,0,0,0,0|0,0,0]=1 66 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 NC1=NC=NC(=N1)N S367753 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,1,0,0,0,0|1,0,1]=3 70 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.5 FC1=CN=CN=C1S S217271 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,1,0,0,0,0|0,0,0]=1 87 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.5 NC1=CC=CC=C1O S378569 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,1,0,0,0,0|3,0,0]=4 98 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,0,1,0|2,0,0]=3 99 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,0,1,0|3,0,0]=4 100 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,0,1,0|2,0,0]=3 101 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,0,1,0|2,0,0]=3 102 B6R1.2 CC1=NC=CS1 CDS000301 [0,0,0,0,1,0|3,0,0]=4 103 B6R1.2 ClC1=CNN=C1 CDS019988 [0,0,0,0,1,0|2,0,0]=3 104 B6R1.2 ClC1=NN=CS1 CBR01805 [0,0,0,0,1,0|3,0,0]=4 105 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,0,1,0|2,0,1]=4 106 B6R1.2 N1C=CN=C1N CDS020502 [0,0,0,0,1,0|2,0,0]=3 107 B6R1.2 NC1=CN=CS1 CDS008189 [0,0,0,0,1,0|1,0,0]=2 108 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,1,0|1,0,0]=2 109 B6R1.2 NC1=NC=CS1 R646520 [0,0,0,0,1,0|2,0,0]=3 110 B6R1.2 NC1=NN=CN1 CDS019982 [0,0,0,0,1,0|2,0,0]=3 111 B6R1.2 NN1C=CC=C1 CDS000078 [0,0,0,0,1,0|1,0,0]=2 112 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,1,0|1,0,2]=4 113 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,1,0|3,0,0]=4 114 B6R1.2 OC1=NN=CS1 CBR01616 [0,0,0,0,1,0|3,0,0]=4 115 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,1,0|3,0,0]=4 116 B6R1.2 S=C1NC=CS1 PH000321 [0,0,0,0,1,0|3,0,0]=4 117 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,0,0,0,1|2,0,0]=3 118 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,1|2,0,0]=3 119 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,0,1,0|2,0,0]=4 120 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,1,0,0,1,0|2,0,0]=4 121 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,1,0,0,1,0|2,0,0]=4 122 B7R1.1 CCC1=CNN=C1 CBR01738 [0,1,0,0,1,0|2,0,0]=4 123 B7R1.1 CSC1=CC=CS1 R436550 [0,1,0,0,1,0|2,0,0]=4 124 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,1,0,0,1,0|2,0,0]=4 125 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,1,0,0,1,0|2,0,0]=4 126 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,1,0,0,1,0|2,0,0]=4 127 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,1,0,0,1,0|2,0,0]=4 128 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,1,0,0,1,0|1,0,1]=4 129 B7R1.1 N#CN1C=CN=C1 CDS017338 [0,1,0,0,1,0|1,0,1]=4 130 B7R1.1 NCC1=CN=CS1 CDS007657 [0,1,0,0,1,0|1,0,0]=3 131 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,0,1,0|1,0,0]=3 132 B7R1.1 NCC1=CSN=N1 CDS019170 [0,1,0,0,1,0|2,0,0]=4 133 B7R1.1 NCC1=NC=CS1 CDS023086 [0,1,0,0,1,0|2,0,0]=4 134 B7R1.1 NCC1=NC=CS1 PHB00196 [0,1,0,0,1,0|2,0,0]=4 135 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,1,0,0,1,0|2,0,0]=4 136 B7R1.1 OCC1=CC=CN1 CDS009556 [0,1,0,0,1,0|2,0,0]=4 137 B7R1.1 OCC1=CN=CS1 CDS004659 [0,1,0,0,1,0|2,0,0]=4 138 B7R1.1 OCC1=CNN=C1 CDS015812 [0,1,0,0,1,0|2,0,0]=4 139 B7R1.1 SCC1=CC=CS1 CDS000069 [0,1,0,0,1,0|2,0,0]=4 140 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,1,0,0,1,0|2,0,0]=4 141 B7R1.2 BrC1=COC(=C1)Br T266507 [0,1,0,0,1,0|2,0,0]=4 142 B7R1.2 CC1=CSC(=N1)N S366536 [0,1,0,0,1,0|2,0,0]=4 143 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,1,0,0,1,0|2,0,0]=4 144 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,1,0,0,1,0|2,0,0]=4 145 B7R1.2 CC1=NN=C(O1)N PH010741 [0,1,0,0,1,0|2,0,0]=4 146 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,1,0,0,1,0|1,0,0]=3 147 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,1,0,0,1,0|1,0,0]=3 149 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,1,0,0,1,0|1,0,1]=4 150 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,1,0,0,1,0|2,0,0]=4 151 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,1,0,0,1,0|1,0,0]=3 152 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,0,1,0|1,0,0]=3 153 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,1,0,0,1,0|2,0,0]=4 154 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,0,1,0|2,0,0]=4 155 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,1,0,0,1,0|2,0,0]=4 156 B7R1.4 BrC1=NNC=C1I PHB00279 [0,1,0,0,1,0|2,0,0]=4 157 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,1,0,0,1,0|1,0,0]=3 158 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,1,0,0,1,0|2,0,0]=4 159 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,1,0,0,1,0|2,0,0]=4 160 B7R1.4 CC1=NNC=C1I BML00217 [0,1,0,0,1,0|2,0,0]=4 161 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,1,0,0,1,0|2,0,0]=4 162 B7R1.4 CN1C=CN=C1I ANV00120 [0,1,0,0,1,0|2,0,0]=4 163 B7R1.4 CN1C=CN=C1I CDS005078 [0,1,0,0,1,0|2,0,0]=4 164 B7R1.4 CN1C=CN=C1N CBR02443 [0,1,0,0,1,0|2,0,0]=4 165 B7R1.4 CN1N=CC=C1Br CBR02073 [0,1,0,0,1,0|2,0,0]=4 166 B7R1.4 IC1=CSC=C1I R254975 [0,1,0,0,1,0|2,0,0]=4 167 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,1,0,0,1,0|1,0,0]=3 168 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,2,0,0,0,0|2,0,0]=4 169 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,2,0,0,0,0|2,0,0]=4 170 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,2,0,0,0,0|1,0,1]=4 173 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,2,0,0,0,0|1,0,0]=3 175 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,2,0,0,0,0|2,0,0]=4 176 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,2,0,0,0,0|1,0,1]=4 177 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,2,0,0,0,0|2,0,0]=4 178 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,2,0,0,0,0|1,0,0]=3 179 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,2,0,0,0,0|0,0,2]=4 180 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,2,0,0,0,0|1,0,0]=3 182 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,2,0,0,0,0|1,0,0]=3 183 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,2,0,0,0,0|1,0,1]=4 184 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,2,0,0,0,0|1,0,0]=3 186 B9R1.2 C#CC1=NC(=NC=C1)Cl CDS023942 [0,2,0,0,0,0|2,0,0]=4 187 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,2,0,0,0,0|2,0,0]=4 188 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,2,0,0,0,0|1,0,0]=3 189 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,2,0,0,0,0|2,0,0]=4 190 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,2,0,0,0,0|1,0,0]=3 191 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,2,0,0,0,0|2,0,0]=4 193 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,2,0,0,0,0|1,0,0]=3 194 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,2,0,0,0,0|1,0,0]=3 195 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,2,0,0,0,0|2,0,0]=4 196 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,2,0,0,0,0|1,0,0]=3 197 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,2,0,0,0,0|2,0,0]=4 198 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,2,0,0,0,0|1,0,0]=3 199 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,2,0,0,0,0|2,0,0]=4 200 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,2,0,0,0,0|0,0,0]=2 201 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,2,0,0,0,0|1,0,0]=3 202 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,2,0,0,0,0|2,0,0]=4 203 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,2,0,0,0,0|2,0,0]=4 204 B9R1.2 CSC1=NC(=NC=N1)N CBR00308 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,2,0,0,0,0|2,0,0]=4 209 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,2,0,0,0,0|1,0,0]=3 210 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,2,0,0,0,0|0,0,1]=3 211 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,2,0,0,0,0|0,0,1]=3 212 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,2,0,0,0,0|1,0,0]=3 213 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,2,0,0,0,0|1,0,0]=3 214 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,2,0,0,0,0|1,0,0]=3 215 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [0,2,0,0,0,0|1,0,1]=4 220 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,2,0,0,0,0|1,0,0]=3 224 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,2,0,0,0,0|1,0,0]=3 231 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,2,0,0,0,0|1,0,1]=4 235 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,2,0,0,0,0|1,0,0]=3 237 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,2,0,0,0,0|1,0,0]=3 239 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,2,0,0,0,0|0,0,1]=3 248 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,2,0,0,0,0|1,0,0]=3 251 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,2,0,0,0,0|1,0,0]=3 255 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,2,0,0,0,0|0,0,0]=2 267 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,2,0,0,0,0|0,0,0]=2 269 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,2,0,0,0,0|1,0,0]=3 276 B9R1.10 O=C1C=CS(=O)(=O)C=C1 T162299 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,2,0,0,0,0|1,0,1]=4 288 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,2,0,0,0,0|1,0,1]=4 289 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,2,0,0,0,0|1,0,0]=3 302 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,2,0,0,0,0|1,0,1]=4 307 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,2,0,0,0,0|1,0,0]=3 320 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.69 NC1=NN=C(C=C1Br)Cl CDS020016 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,2,0,0,0,0|1,0,1]=4 342 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,2,0,0,0,0|0,0,0]=2 363 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,2,0,0,0,0|0,0,0]=2 364 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,2,0,0,0,0|0,0,0]=2 365 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,2,0,0,0,0|1,0,0]=3 366 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,2,0,0,0,0|1,0,0]=3 367 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,2,0,0,0,0|0,0,0]=2 370 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.3 O=C1NN=CC(=C1Br)Br S412538 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,2,0,0,0,0|0,0,0]=2 386 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,2,0,0,0,0|1,0,1]=4 389 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,2,0,0,0,0|1,0,1]=4 390 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,2,0,0,0,0|1,0,1]=4 410 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.34 NC1=NC(=NC(=N1)N)N R426555 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.34 NC1=NC(=NC(=N1)O)N R436623 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,0,0,0,2|2,0,0]=4 414 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,0,0,0,2|2,0,0]=4 415 B9R1.50 O=C1C=CCCCC=C1 T168912 [0,0,0,0,0,2|2,0,0]=4 416 B9R1.50 O=C1CC=CCC=CC1 T179361 [0,0,0,0,0,2|2,0,0]=4 417 B9R1.50 O=C1CC=CCC=CC1 T181854 [0,0,0,0,0,2|2,0,0]=4