0 B6R1.1 C1=CC=CC=C1 S458074 [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 C1=CC=NC=C1 S503533 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,1,0,0,0,0|2,0,0]=3 3 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 CC1=CC=NC=C1 T256412 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 CC1=CC=NC=C1 T330418 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 NC1=CC=CC=C1 S698326 [0,1,0,0,0,0|0,0,0]=1 8 B7R1.3 NC1=CC=CC=N1 S822329 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 O=C1C=CC=CN1 T160121 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 O=C1C=CNC=C1 T161470 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 O=C1C=CSC=C1 T162035 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1CSC=CN1 OTV000696 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 S=C1C=CSC=C1 S874310 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 SC1=NC=CC=N1 S565652 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,1,0,0,0,0|0,0,0]=1 20 B5R0.2 C(=O)CCC=C CDS000721 [0,0,1,0,0,0|1,0,2]=4 21 B5R1.1 C1=CCNC1 ANV00248 [0,0,0,0,1,0|1,0,2]=4 22 B7R1.24 C1=CCCC=CC1 T178241 [0,0,0,0,0,1|0,0,2]=3 23 B6R0.4 C=COCC(=C)C T284386 [0,1,1,0,0,0|1,0,1]=4 24 B6R0.6 C=CCNCC=C CDS000449 [0,1,1,0,0,0|0,0,2]=4 25 B6R1.2 BrC1=CC=CO1 CDS020809 [0,1,0,0,1,0|1,0,0]=3 26 B6R1.2 BrC1=NOC=C1 CDS005417 [0,1,0,0,1,0|2,0,0]=4 27 B6R1.2 CC1=CC=NN1 CDS002430 [0,1,0,0,1,0|2,0,0]=4 28 B6R1.2 CC1=COC=C1 CDS019631 [0,1,0,0,1,0|1,0,0]=3 29 B6R1.2 CC1=NC=CS1 CDS000301 [0,1,0,0,1,0|2,0,0]=4 30 B6R1.2 ClC1=CNN=C1 CDS019988 [0,1,0,0,1,0|2,0,0]=4 31 B6R1.2 IC1=NNC=C1 BML00254 [0,1,0,0,1,0|2,0,0]=4 32 B6R1.2 N1C=CN=C1N CDS020502 [0,1,0,0,1,0|2,0,0]=4 33 B6R1.2 NC1=CN=CS1 CDS008189 [0,1,0,0,1,0|2,0,0]=4 34 B6R1.2 NC1=CSC=C1 PHB00043 [0,1,0,0,1,0|1,0,0]=3 35 B6R1.2 NC1=NC=CS1 R646520 [0,1,0,0,1,0|2,0,0]=4 36 B6R1.2 NN1C=CC=C1 CDS000078 [0,1,0,0,1,0|1,0,0]=3 37 B6R1.2 O=C1CC=CC1 CDS003851 [0,1,0,0,1,0|0,0,2]=4 38 B6R1.2 O=C1NC=CN1 CBR02030 [0,1,0,0,1,0|2,0,0]=4 39 B6R1.2 OC1=NSC=C1 CDS008627 [0,1,0,0,1,0|2,0,0]=4 40 B6R1.2 S=C1NC=CS1 PH000321 [0,1,0,0,1,0|2,0,0]=4 41 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,1,0,0,0,1|0,0,0]=2 42 B8R1.22 O=C1C=CCCC=C1 T167258 [0,1,0,0,0,1|0,0,1]=3 43 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,2,0,0,0,0|0,0,0]=2 44 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.2 C1(C=CCC=C1)CO T175528 [0,2,0,0,0,0|0,0,2]=4 47 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,2,0,0,0,0|0,0,0]=2 48 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,2,0,0,0,0|0,0,0]=2 49 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,2,0,0,0,0|0,0,0]=2 50 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,2,0,0,0,0|2,0,0]=4 51 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,2,0,0,0,0|0,0,0]=2 53 B8R1.2 NCC1=CC=CC=C1 S696684 [0,2,0,0,0,0|0,0,0]=2 54 B8R1.2 NCC1=CN=CC=C1 S763780 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,2,0,0,0,0|0,0,0]=2 58 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,2,0,0,0,0|0,0,0]=2 60 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [0,2,0,0,0,0|2,0,0]=4 70 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [0,2,0,0,0,0|2,0,0]=4 71 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,2,0,0,0,0|0,0,0]=2 75 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,2,0,0,0,0|0,0,0]=2 76 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,2,0,0,0,0|0,0,0]=2 83 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,2,0,0,0,0|0,0,0]=2 86 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,2,0,0,0,0|1,0,1]=4 88 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,2,0,0,0,0|0,0,0]=2 106 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.5 CC1=NC=CN=C1S PH014228 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.5 FC1=CN=CN=C1S S217271 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,2,0,0,0,0|0,0,0]=2 129 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.5 NC1=CC=CC=C1O S378569 [0,2,0,0,0,0|0,0,0]=2 133 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,2,0,0,0,0|1,0,0]=3