0 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,0,0,0,0,0|2,1,1]=4 17 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,0,0,0,0,0|0,0,2]=2 21 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,0,0,0,0,0|1,0,1]=2 23 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.34 NC1=NC(=NC(=N1)N)N R426555 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.34 NC1=NC(=NC(=N1)O)N R436623 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.34 O=C1CC(=O)NC(=S)[N-]1 S564508 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|1,1,1]=4 35 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.4 NC1=CC(=O)CCC1 S897639 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|0,0,0]=1 41 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 NC1=NC(=O)CCS1 PH012053 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.4 NC1=NC=NC(=N1)N S367753 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.8 CCC1=CC(=O)NC(=S)N1 OTV000340 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.8 CCC1=NC(=O)CC(=O)N1 OTV000839 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.8 CNC1=NC(=NC(=C1)C)Cl CBR00058 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.8 COC1=NC(=NC(=C1)I)N SYX00382 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.8 CSC1=NC(=CC(=O)N1)C R683868 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.8 CSC1=NC(=CC(=O)N1)N OTV000301 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.8 NNC1=CC(=O)NC(=O)N1 CBR01789 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)Cl CBR02211 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)I ANV00173 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.22 N1C(=O)NC(=O)C(=C1N)N S504386 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.22 NC1=NC(=C(C(=N1)Cl)I)O PH006449 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.22 NC1=NC(=C(C(=N1)O)N)N S540897 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.22 NC1=NC(=NC(=C1N)O)O S765945 [0,1,0,0,0,0|1,0,2]=4 71 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,0,0,0,1,0|3,0,0]=4 72 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,0,0,0,1,0|3,0,0]=4 73 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,0,0,0,1,0|3,0,0]=4 74 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|2,0,1]=4 75 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,0,0,0,1,0|3,0,0]=4 76 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,0,0,0,1,0|2,0,1]=4 77 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,0,0,0,1,0|2,0,0]=3 78 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 84 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 87 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,1,0,0,0,0|0,0,2]=4 101 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [1,1,0,0,0,0|0,0,2]=4 114 B9R1.69 CC1=CNC(=S)NC1=O R427195 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [1,1,0,0,0,0|1,0,1]=4 122 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.22 CCC1=C(N=C(N1)N)C PH017331 [0,1,0,0,1,0|2,0,0]=4 125 B11R1.34 NCCC1=NC(=CC(=N1)N)O CBR01569 [0,2,0,0,0,0|0,0,2]=4 126 B11R1.34 NCCC1=NC(=CC(=N1)N)O PH019254 [0,2,0,0,0,0|0,0,2]=4 127 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,2,0,0,0,0|0,0,2]=4 128 B11R1.464 C(=O)C1=C(NC(=O)NC1=O)N CBR01912 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.464 NC1=NC(=C(C(=N1)N)N=O)O S415715 [0,2,0,0,0,0|0,0,2]=4 130 B7R1.2 CC1=CSC(=N1)N S366536 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,1,0|2,0,0]=4 132 B7R1.2 CC1=NN=C(N1)N CDS003576 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|1,0,0]=3 134 B7R1.2 CC1=NNC(=N1)N CDS020216 [1,0,0,0,1,0|2,0,0]=4 135 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,0,0,0,1,0|2,0,0]=4 136 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,0,0,0,1,0|2,0,0]=4 137 B7R1.2 NC1=CC(=NO1)N CBR01619 [1,0,0,0,1,0|2,0,0]=4 138 B7R1.2 NC1=CC(=O)N=N1 S561037 [1,0,0,0,1,0|0,0,1]=3 139 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,1,0|2,0,0]=4 141 B7R1.4 BrC1=C(NC=N1)Br S802263 [1,0,0,0,1,0|2,0,0]=4 142 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.4 CN1C=CN=C1N CBR02443 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.4 NC1=C(NN=C1)N CBR02117 [1,0,0,0,1,0|1,0,1]=4