0 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 4 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,0|0,0,4]=4 6 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 NC1=CC=CC=N1 S822329 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 S=C1C=CSC=C1 S874310 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 SC1=NC=CC=N1 S565652 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.1 C1=CC=CC=C1 S458074 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.1 C1=CC=NC=C1 S503533 [1,0,0,0,0,0|0,0,0]=1 22 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.2 C1(C=CCC=C1)CO T175528 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,1,0,0,0,0|1,0,1]=3 29 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 NCC1=CC=CC=C1 S696684 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.2 NCC1=CN=CC=C1 S763780 [0,1,0,0,0,0|0,0,0]=1 35 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,0,0,0|0,0,1]=2 43 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.3 CC1=NN=C(N=N1)C T170577 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,1,0,0,0,0|1,0,0]=2 50 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,1,0,0,0,0|1,0,1]=3 55 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,1,0,0,0,0|1,0,1]=3 61 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,0|1,0,2]=4 69 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,1,0,0,0,0|0,0,1]=2 70 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.5 CC1=NC=CN=C1S PH014228 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.5 FC1=CN=CN=C1S S217271 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.5 NC1=CC=CC=C1O S378569 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 C=CCNC(=O)C EME00415 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.4 C=COCC(=C)C T284386 [0,0,1,0,0,0|1,0,1]=3 122 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,0,1,0|2,0,0]=3 123 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,0,1,0|2,0,0]=3 124 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,0,1,0|1,0,0]=2 125 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,0,1,0|1,0,0]=2 126 B6R1.2 CC1=NC=CS1 CDS000301 [0,0,0,0,1,0|1,0,0]=2 127 B6R1.2 CC1=NNC=N1 CDS020176 [0,0,0,0,1,0|2,0,0]=3 128 B6R1.2 ClC1=CNN=C1 CDS019988 [0,0,0,0,1,0|2,0,0]=3 129 B6R1.2 ClC1=NN=CS1 CBR01805 [0,0,0,0,1,0|3,0,0]=4 130 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,0,1,0|2,0,0]=3 131 B6R1.2 N1C=CN=C1N CDS020502 [0,0,0,0,1,0|2,0,0]=3 132 B6R1.2 NC1=CN=CS1 CDS008189 [0,0,0,0,1,0|2,0,0]=3 133 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,1,0|2,0,0]=3 134 B6R1.2 NC1=NC=CS1 R646520 [0,0,0,0,1,0|2,0,0]=3 135 B6R1.2 NC1=NN=CN1 CDS019982 [0,0,0,0,1,0|3,0,0]=4 136 B6R1.2 NN1C=CC=C1 CDS000078 [0,0,0,0,1,0|2,0,0]=3 137 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,1,0|1,0,2]=4 138 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,1,0|2,0,1]=4 139 B6R1.2 OC1=NN=CS1 CBR01616 [0,0,0,0,1,0|3,0,0]=4 140 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,1,0|2,0,0]=3 141 B6R1.2 S=C1NC=CS1 PH000321 [0,0,0,0,1,0|2,0,1]=4 142 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,0,0,0,1|2,0,0]=3 143 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,1|2,0,1]=4 144 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.6 C=C(C)CSC(=N)N PH012545 [0,1,1,0,0,0|1,0,1]=4 148 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,0,1,0|1,0,0]=3 149 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,1,0,0,1,0|1,0,1]=4 150 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,1,0,0,1,0|1,0,1]=4 151 B7R1.1 CCC1=CNN=C1 CBR01738 [0,1,0,0,1,0|1,0,0]=3 152 B7R1.1 CSC1=CC=CS1 R436550 [0,1,0,0,1,0|1,0,0]=3 153 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,1,0,0,1,0|1,0,0]=3 154 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,1,0,0,1,0|1,0,0]=3 155 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,1,0,0,1,0|1,0,0]=3 156 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,1,0,0,1,0|1,0,0]=3 157 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,1,0,0,1,0|2,0,0]=4 158 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,1,0,0,1,0|2,0,0]=4 159 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,1,0,0,1,0|2,0,0]=4 160 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,1,0,0,1,0|1,0,1]=4 161 B7R1.1 N#CN1C=CN=C1 CDS017338 [0,1,0,0,1,0|1,0,1]=4 162 B7R1.1 NCC1=CN=CS1 CDS007657 [0,1,0,0,1,0|1,0,0]=3 163 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,0,1,0|1,0,0]=3 164 B7R1.1 NCC1=CSN=N1 CDS019170 [0,1,0,0,1,0|2,0,0]=4 165 B7R1.1 NCC1=NC=CS1 CDS023086 [0,1,0,0,1,0|1,0,0]=3 166 B7R1.1 NCC1=NC=CS1 PHB00196 [0,1,0,0,1,0|1,0,0]=3 167 B7R1.1 NCC1=NOC=N1 CDS019857 [0,1,0,0,1,0|2,0,0]=4 168 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,1,0,0,1,0|1,0,1]=4 169 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,1,0,0,1,0|1,0,1]=4 170 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,1,0,0,1,0|1,0,1]=4 171 B7R1.1 OCC1=CC=CN1 CDS009556 [0,1,0,0,1,0|0,0,1]=3 172 B7R1.1 OCC1=CN=CS1 CDS004659 [0,1,0,0,1,0|1,0,0]=3 173 B7R1.1 OCC1=CNN=C1 CDS015812 [0,1,0,0,1,0|1,0,0]=3 174 B7R1.1 OCC1=NOC=C1 PHB00207 [0,1,0,0,1,0|1,0,0]=3 175 B7R1.1 SCC1=CC=CS1 CDS000069 [0,1,0,0,1,0|1,0,0]=3 176 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,1,0,0,1,0|2,0,0]=4 177 B7R1.2 BrC1=COC(=C1)Br T266507 [0,1,0,0,1,0|2,0,0]=4 178 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,1,0,0,1,0|1,0,0]=3 179 B7R1.2 CC1=CSC(=N1)N S366536 [0,1,0,0,1,0|1,0,0]=3 180 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,1,0,0,1,0|2,0,0]=4 181 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,1,0,0,1,0|1,0,0]=3 182 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,1,0,0,1,0|2,0,0]=4 183 B7R1.2 CC1=NN=C(O1)N PH010741 [0,1,0,0,1,0|2,0,0]=4 184 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,1,0,0,1,0|2,0,0]=4 185 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,1,0,0,1,0|2,0,0]=4 186 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,1,0,0,1,0|1,0,0]=3 187 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.2 CC1=NOC(=N1)C PH016136 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,1,0,0,1,0|1,0,0]=3 191 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,1,0,0,1,0|1,0,0]=3 192 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,1,0,0,1,0|1,0,0]=3 193 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,1,0,0,1,0|2,0,0]=4 194 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,1,0,0,1,0|2,0,0]=4 195 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,1,0,0,1,0|2,0,0]=4 200 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,0,1,0|2,0,0]=4 201 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.4 BrC1=NNC=C1I PHB00279 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,1,0,0,1,0|1,0,0]=3 206 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,1,0,0,1,0|1,0,0]=3 207 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,1,0,0,1,0|1,0,0]=3 208 B7R1.4 CC1=NNC=C1I BML00217 [0,1,0,0,1,0|1,0,0]=3 209 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,1,0,0,1,0|1,0,0]=3 210 B7R1.4 CN1C=CN=C1I ANV00120 [0,1,0,0,1,0|1,0,0]=3 211 B7R1.4 CN1C=CN=C1I CDS005078 [0,1,0,0,1,0|1,0,0]=3 212 B7R1.4 CN1C=CN=C1N CBR02443 [0,1,0,0,1,0|1,0,0]=3 213 B7R1.4 CN1C=CSC1=N S945749 [0,1,0,0,1,0|2,0,0]=4 214 B7R1.4 CN1N=CC=C1Br CBR02073 [0,1,0,0,1,0|1,0,0]=3 215 B7R1.4 CN1N=CN=C1Br CBR01745 [0,1,0,0,1,0|2,0,0]=4 216 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,1,0,0,1,0|2,0,0]=4 217 B7R1.4 IC1=CSC=C1I R254975 [0,1,0,0,1,0|2,0,0]=4 218 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,1,0,0,0,1|1,0,1]=4 220 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,2,0,0,0,0|0,0,0]=2 221 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,2,0,0,0,0|0,0,1]=3 222 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,2,0,0,0,0|0,0,1]=3 223 B9R1.1 C#CC1=NC=C(C=N1)Br CDS023608 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.1 C#CC1=NC=C(C=N1)Cl CDS021228 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,2,0,0,0,0|0,0,0]=2 231 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,2,0,0,0,0|0,0,0]=2 232 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,2,0,0,0,0|0,0,0]=2 237 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,2,0,0,0,0|0,0,0]=2 238 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,2,0,0,0,0|0,0,0]=2 240 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,2,0,0,0,0|0,0,0]=2 243 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,2,0,0,0,0|0,0,1]=3 247 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,2,0,0,0,0|0,0,1]=3 248 B9R1.1 N#CC1=NC=C(C=N1)Br ANV00019 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.1 N#CC1=NC=C(N=C1)Br CDS023192 [0,2,0,0,0,0|1,0,1]=4 250 B9R1.1 N#CC1=NC=C(N=C1)Cl CDS006416 [0,2,0,0,0,0|1,0,1]=4 251 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,2,0,0,0,0|0,0,0]=2 252 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,2,0,0,0,0|1,0,0]=3 255 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,2,0,0,0,0|0,0,1]=3 257 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,2,0,0,0,0|0,0,2]=4 258 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,2,0,0,0,0|1,0,1]=4 259 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,2,0,0,0,0|1,0,1]=4 261 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,2,0,0,0,0|1,0,0]=3 265 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,2,0,0,0,0|0,0,0]=2 268 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,2,0,0,0,0|0,0,0]=2 277 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,2,0,0,0,0|0,0,0]=2 278 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,2,0,0,0,0|1,0,0]=3 283 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,2,0,0,0,0|0,0,0]=2 284 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,2,0,0,0,0|1,0,1]=4 285 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,2,0,0,0,0|0,0,0]=2 288 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,2,0,0,0,0|0,0,1]=3 290 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,2,0,0,0,0|0,0,1]=3 291 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,2,0,0,0,0|0,0,0]=2 292 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,2,0,0,0,0|0,0,0]=2 293 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,2,0,0,0,0|0,0,0]=2 295 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,2,0,0,0,0|0,0,0]=2 300 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,2,0,0,0,0|0,0,0]=2 301 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,2,0,0,0,0|1,0,0]=3 302 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,2,0,0,0,0|1,0,1]=4 305 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,2,0,0,0,0|0,0,1]=3 306 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,2,0,0,0,0|1,0,1]=4 307 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,2,0,0,0,0|1,0,1]=4 308 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,2,0,0,0,0|1,0,1]=4 309 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.6 OB(O)C1=CN=CN=C1 CDS013999 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,2,0,0,0,0|0,0,0]=2 312 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,2,0,0,0,0|1,0,1]=4 313 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,2,0,0,0,0|0,0,1]=3 314 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.8 COCC1=CC=CC=N1 S363146 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,2,0,0,0,0|1,0,0]=3 320 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,2,0,0,0,0|0,0,0]=2 322 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,2,0,0,0,0|0,0,0]=2 323 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,2,0,0,0,0|1,0,0]=3 324 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,2,0,0,0,0|0,0,1]=3 325 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,2,0,0,0,0|0,0,0]=2 326 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,2,0,0,0,0|0,0,0]=2 331 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,2,0,0,0,0|0,0,1]=3 333 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,2,0,0,0,0|0,0,0]=2 335 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [0,2,0,0,0,0|1,0,1]=4 339 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,2,0,0,0,0|0,0,0]=2 340 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,2,0,0,0,0|0,0,0]=2 341 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,2,0,0,0,0|0,0,0]=2 342 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,2,0,0,0,0|0,0,0]=2 344 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,2,0,0,0,0|0,0,0]=2 345 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.15 CCN1C=CC=CC1=O S683159 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.15 COC1=C(CC=CC1)C S864811 [0,2,0,0,0,0|1,0,1]=4 354 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,2,0,0,0,0|0,0,0]=2 359 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,2,0,0,0,0|0,0,1]=3 362 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,2,0,0,0,0|0,0,0]=2 364 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,2,0,0,0,0|0,0,0]=2 366 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,2,0,0,0,0|1,0,0]=3 367 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.15 OCC1=CC=CC=N1O S459240 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.15 OCC1=NC=CC=C1O R578177 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,2,0,0,0,0|0,0,1]=3 388 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,2,0,0,0,0|1,0,1]=4 389 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,2,0,0,0,0|0,0,0]=2 390 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,2,0,0,0,0|0,0,0]=2 391 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,2,0,0,0,0|0,0,0]=2 394 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,2,0,0,0,0|0,0,0]=2 412 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,2,0,0,0,0|0,0,0]=2 413 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,2,0,0,0,0|0,0,0]=2 415 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,2,0,0,0,0|0,0,0]=2 418 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,2,0,0,0,0|0,0,0]=2 419 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] PH009723 [0,2,0,0,0,0|1,0,1]=4 422 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,2,0,0,0,0|1,0,1]=4 429 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,2,0,0,0,0|1,0,0]=3 437 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,2,0,0,0,0|1,0,1]=4 446 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.69 NC1=CN=C(C(=N1)Cl)Br ANV00060 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.69 NC1=NN=C(C=C1Br)Cl CDS020016 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl T163503 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,2,0,0,0,0|1,0,1]=4 472 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,2,0,0,0,0|1,0,0]=3 491 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,2,0,0,0,0|0,0,1]=3 501 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [0,2,0,0,0,0|1,0,1]=4 508 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.3 O=C1NN=CC(=C1Br)Br S412538 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,2,0,0,0,0|1,0,0]=3 535 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.34 [O-][N+]1=CC(=CC(=C1)Br)Br S877360 [0,2,0,0,0,0|1,0,1]=4 549 B7R1.24 C1=CCCC=CC1 T178241 [0,0,1,1,0,0|1,0,1]=4 550 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,0,0,0,2|2,0,0]=4