0 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,0,0,0,0,0|1,2,1]=4 5 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,0,0,0|2,0,1]=3 13 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,0,0,0,0,0|3,1,0]=4 16 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,0,0,0,0,0|1,2,0]=3 20 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,0,0,0,0,0|2,1,1]=4 23 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,0,0,0,0,0|3,1,0]=4 25 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,0,0,0,0,0|2,1,1]=4 26 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,0,0,0,0,0|2,0,1]=3 27 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,0,0,0,0,0|3,1,0]=4 28 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,0,0,0,0,0|1,2,1]=4 31 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [0,0,0,0,0,0|3,1,0]=4 33 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,0,0,0|2,0,0]=2 35 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,0,0,0|2,1,0]=3 36 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,0,0,0|2,1,0]=3 37 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,0,0,0|1,1,0]=2 38 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,0,0,0,0,0|3,1,0]=4 39 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,0,0,0,0,0|1,0,1]=2 41 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,0,0,0,0,0|1,0,2]=3 42 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [0,0,0,0,0,0|2,1,1]=4 43 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,0,0,0,0,0|2,1,0]=3 44 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,0,0,0,0,0|1,1,1]=3 45 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,0,0,0|1,0,0]=2 51 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,0,0,0|0,1,0]=2 52 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,0,0,0|0,1,0]=2 53 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,0,0,0|1,1,0]=3 54 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [1,0,0,0,0,0|0,2,1]=4 55 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [1,0,0,0,0,0|0,2,1]=4 56 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [1,0,0,0,0,0|0,1,1]=3 57 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [1,0,0,0,0,0|0,1,1]=3 58 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,0,0,0,0,0|1,2,0]=4 59 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [1,0,0,0,0,0|2,1,0]=4 60 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [1,0,0,0,0,0|2,1,0]=4 61 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,0,0,0,0,0|2,1,0]=4 62 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,0,0,0|2,0,1]=4 64 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,0,0,0,0,0|2,0,0]=3 67 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [1,0,0,0,0,0|2,0,0]=3 72 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [1,0,0,0,0,0|3,0,0]=4 73 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [1,0,0,0,0,0|0,1,1]=3 76 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,0,0,0,0,0|2,1,0]=4 77 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,0,0,0|1,1,1]=4 78 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,0,0,0,0,0|1,1,1]=4 79 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,0,0,0|1,1,1]=4 80 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,0,0,0|1,1,1]=4 81 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,0,0,0|1,1,1]=4 82 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [1,0,0,0,0,0|1,1,1]=4 83 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [1,0,0,0,0,0|2,1,0]=4 84 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [1,0,0,0,0,0|2,0,1]=4 85 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,0,0,0,0,0|3,0,0]=4 86 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [1,0,0,0,0,0|3,0,0]=4 87 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,0,0,0|2,0,1]=4 88 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,0,0|3,0,0]=4 89 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CBR00795 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CDS022409 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.43 CCC1=NC2=C(N1)C=C(C=C2)C PH010521 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.43 CCC1=NC2=CC(=CC=C2O1)N CDS008245 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.43 CSC1=NC2=CC(=CC=C2O1)Cl T320358 [0,1,0,0,0,0|0,1,1]=3 94 B13R2.43 N#CC1=CC2=C(O1)C=CC(=C2)O PH008487 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)Cl PH019118 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Cl PH019048 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.43 NCC1=NC2=C(O1)C=CC(=C2)Cl PH019150 [0,1,0,0,0,0|1,0,1]=3 98 B13R2.43 NCC1=NC2=CC(=CC=C2N1)Cl CDS006508 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.43 NNC1=NC2=C(O1)C=C(C=C2)Cl CBR01288 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.43 NNC1=NC2=CC=C(C=C2S1)Cl L482072 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CDS015785 [0,1,0,0,0,0|1,1,0]=3 102 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Br ADE001211 [0,1,0,0,0,0|2,1,0]=4 103 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Cl ADE001209 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.43 OCC1=CC2=CC(=CN=C2O1)Cl ADE001208 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)Cl CBR01079 [0,1,0,0,0,0|1,0,2]=4 106 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,0,0,0|2,0,1]=4 107 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O CBR02288 [0,1,0,0,0,0|2,0,1]=4 108 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O PH019530 [0,1,0,0,0,0|2,0,1]=4 109 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.3028 CN1C2=CC(=CC=C2N=C1Cl)Cl PH016051 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.3028 NC1C(=O)NC2=CC=C(C=C12)F CBR02325 [0,1,0,0,0,0|2,1,0]=4 112 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,1,0,0,0,0|2,1,0]=4 114 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.5190 CN1C2=CC=C(C=C2N=C1Cl)Cl PH018771 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,0,0|1,1,0]=3 120 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,0,0|1,1,0]=3 121 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,0,0|1,1,0]=3 123 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(=C1)C L202940 [0,1,0,0,0,0|2,1,0]=4 124 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,1,0,0,0,0|1,0,0]=2 125 B13R2.13083 CC1=CC2=C(C=C1C)NC(=S)N2 R552097 [0,1,0,0,0,0|2,1,0]=4 126 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,1,0,0,0,0|2,0,1]=4 127 B13R2.13083 CC1=CC2=C(C=C1C)SC(=N)N2 R520578 [0,1,0,0,0,0|2,1,0]=4 128 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,1,0,0,0,0|1,0,1]=3 129 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)O JRD1496 [0,1,0,0,0,0|0,0,2]=3 130 B13R2.13083 NC1=CC2=C(C=C1N)NC(=O)N2 CBR00196 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,1,0,0,0,0|1,1,0]=3 133 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,1,0,0,0,0|0,0,0]=1 135 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,1,0,0,0,0|0,0,0]=1 136 B13R2.13083 SC1=NC2=C(N1)C=C(C(=C2)Cl)Cl PH011040 [0,1,0,0,0,0|1,1,0]=3 137 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,1,0,0,0|3,0,0]=4 138 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,1,0,0,0|2,0,0]=3 139 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,1,0,0,0|3,0,0]=4 140 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,1,0,0,0|2,1,0]=4 141 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,1,0,0,0|2,1,0]=4 142 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,1,0,0,0|2,1,0]=4 144 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,1,0,0,0|2,0,0]=3 146 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,0,1,0,0,0|3,0,0]=4 147 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,1,0,0,0|2,0,0]=3 149 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,0,1,0,0,0|2,1,0]=4 150 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,1,0,0,0|3,0,0]=4 151 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,0,1,0,0,0|2,1,0]=4 152 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,1,0,0,0|1,0,0]=2 153 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,1,0,0,0|1,0,0]=2 154 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,1,0,0,0|1,1,0]=3 155 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,1,0,0,0|1,1,0]=3 156 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,0,1,0,0,0|1,2,0]=4 157 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,0,1,0,0,0|1,1,0]=3 158 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,1,0,0,0|2,1,0]=4 159 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,1,0,0,0|1,1,0]=3 160 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,0,1,0,0,0|1,1,0]=3 162 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,0,1,0,0,0|1,2,0]=4 163 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,0,1,0,0,0|2,0,0]=3 164 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,0,1,0,0,0|2,1,0]=4 165 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,0,1,0,0,0|2,0,0]=3 166 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,0,1,0,0,0|3,0,0]=4 167 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,0,1,0,0,0|2,0,1]=4 168 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [0,0,1,0,0,0|2,1,0]=4 169 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,1,0,0,0|3,0,0]=4 170 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,1,0,0,0|1,1,0]=3 171 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,1,0,0,0|1,1,0]=3 172 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,1,0,0,0|2,0,0]=3 173 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,1,0,0,0|3,0,0]=4 175 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,1,0,0,0|2,0,0]=3 176 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,0,1,0,0,0|1,1,0]=3 177 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,0,1,0,0,0|1,0,0]=2 178 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,0,1,0,0,0|1,1,0]=3 179 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,0,1,0,0,0|1,1,1]=4 180 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,0,1,0,0,0|2,0,0]=3 181 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,0,1,0,0,0|3,0,0]=4 182 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,0,1,0,0,0|1,0,0]=2 183 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,0,1,0,0,0|3,0,0]=4 184 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,0,1,0,0,0|2,0,1]=4 185 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [0,0,1,0,0,0|1,0,0]=2 186 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,0,1,0,0,0|2,0,1]=4 187 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,0,0,0,0,1|2,0,0]=3 188 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,0,0,0,0,1|3,0,0]=4 189 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,0,0,0,0,1|2,0,0]=3 190 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,0,0,0,0,1|2,1,0]=4 191 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,0,0,1|1,0,0]=2 192 B13R2.155 O=C1COC2=NC=C(C=C2N1)Br ADE001263 [0,0,0,0,0,1|1,1,0]=3 193 B13R2.155 O=C1COC2=NC=C(C=C2N1)I ADE001266 [0,0,0,0,0,1|1,1,0]=3 194 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,0,0,0,0,1|0,2,0]=3 195 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,0,0,0,0,1|2,0,0]=3 196 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,0,0,0,0,1|2,1,0]=4 197 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,0,0,0,0,1|3,0,0]=4 198 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,0,0,0,0,1|2,0,0]=3 199 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,0,0,0,0,1|2,0,0]=3 200 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,0,0,0,0,1|1,0,0]=2 201 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,0,0,0,0,1|2,1,0]=4 202 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,0,0,0,0,1|3,0,0]=4 203 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,0,0,0,0,1|1,1,0]=3 204 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,0,0,0,0,1|1,1,0]=3 205 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,0,0,0,1|3,0,0]=4 206 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,0,0,0,0,1|2,1,0]=4 207 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,0,0,1|2,1,0]=4 208 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,1,0,0,0|2,0,0]=4 212 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,0,1,0,0,0|1,1,0]=4 213 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,1,0,0,0|2,0,0]=4 216 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,1,0,0,0|1,1,0]=4 217 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,0,1,0,0,0|1,0,0]=3 218 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,0,1,0,0,0|1,0,0]=3 219 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,0,1,0,0,0|0,0,0]=2 220 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|1,1,0]=4 221 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,0,1,0,0,0|2,0,0]=4 222 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,0,1,0,0,0|2,0,0]=4 223 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,0,1,0,0,0|1,0,0]=3 224 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,0,1,0,0,0|1,1,0]=4 226 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,0,1,0,0,0|0,0,1]=3 229 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,0,1,0,0,0|1,0,0]=3 230 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,0,1,0,0,0|1,1,0]=4 231 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,0,1,0,0,0|1,1,0]=4 232 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|1,0,0]=3 233 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,0,1,0,0,0|1,0,0]=3 235 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,0,1,0,0,0|0,0,0]=2 236 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,0,1,0,0,0|1,1,0]=4 237 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,0,1,0,0,0|1,0,0]=3 239 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,1,0,0,0|1,0,1]=4 241 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,0,1,0,0,0|1,0,1]=4 242 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,0,1,0,0,0|1,1,0]=4 243 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,0,1,0,0,0|1,0,0]=3 244 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,0,1,0,0,0|1,1,0]=4 245 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,0,1,0,0,0|2,0,0]=4 246 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,1,0,0,0|0,0,2]=4 247 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [2,0,0,0,0,0|0,1,1]=4 248 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [2,0,0,0,0,0|0,1,1]=4 249 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [2,0,0,0,0,0|0,1,1]=4 250 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [2,0,0,0,0,0|2,0,0]=4 251 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [2,0,0,0,0,0|2,0,0]=4 252 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [2,0,0,0,0,0|2,0,0]=4 253 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|2,0,0]=4 254 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [2,0,0,0,0,0|0,1,1]=4 255 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,1,1,0,0,0|2,0,0]=4 256 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,1,1,0,0,0|2,0,0]=4 257 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,1,1,0,0,0|2,0,0]=4 258 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,1,0,0,0|2,0,0]=4 259 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,1,0,0,0|2,0,0]=4 260 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,1,1,0,0,0|2,0,0]=4 261 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,1,1,0,0,0|2,0,0]=4 262 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,1,0,0,0|2,0,0]=4 263 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,1,0,0,0|2,0,0]=4 264 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,1,0,0,0|2,0,0]=4 265 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,1,0,0,0|2,0,0]=4 266 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,1,0,0,0|2,0,0]=4 267 B12R1.19 N=C(N)NC1=CC=C(C(=C1)Cl)Cl S614629 [0,1,1,0,0,0|2,0,0]=4 268 B12R1.19 NC(=CC1=CC(=C(C=C1)Cl)Cl)N PH019006 [0,1,1,0,0,0|2,0,0]=4 269 B12R1.19 NC(=S)NC1=CC(=C(C=C1)Cl)Cl PH000037 [0,1,1,0,0,0|1,1,0]=4 270 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,1,0,0,0|2,0,0]=4 271 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,1,0,0,0|2,0,0]=4 272 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,1,0,0,0|2,0,0]=4 273 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,1,0,0,0|2,0,0]=4 274 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,1,0,0,0|2,0,0]=4 275 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,1,0,0,0|1,1,0]=4 276 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,1,0,0,0|1,0,0]=3 278 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,1,0,0,0|1,0,0]=3 279 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,1,0,0,0|0,1,0]=3 280 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,1,0,0,0|0,1,0]=3 281 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,1,0,0,0|0,1,0]=3 282 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,1,0,0,0|1,1,0]=4 283 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,1,0,0,0|1,1,0]=4 285 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,1,0,0,0|1,0,1]=4 286 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,1,0,0,0|1,1,0]=4 290 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,1,0,0,0|1,0,0]=3 291 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)N PH008060 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.106 NS(=O)(=O)OC1=CC=C(C=C1)Cl PH008055 [0,1,1,0,0,0|1,0,0]=3 293 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,1,0,0,0|1,0,0]=3 298 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,1,0,0,0|1,0,0]=3 300 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,1,0,0,0|1,1,0]=4 301 B12R1.233 NC(=S)NC1=CC=C(C=C1Cl)Cl S655031 [0,1,1,0,0,0|1,1,0]=4 302 B12R1.69 C=CCOC1=CC=C(C=C1Cl)Cl S357383 [0,1,1,0,0,0|2,0,0]=4 303 B12R1.1123 C(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S531820 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,1,0,0,0|1,0,0]=3 305 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,1,0,0,0|1,1,0]=4 306 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,1,0,0,0|1,1,0]=4 307 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,1,0,0,0|1,0,0]=3 308 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,1,0,0,0|1,1,0]=4 310 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,1,0,0,0|1,0,0]=3 311 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,1,0,0,0|0,0,0]=2 314 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,1,0,0,0|1,0,0]=3 315 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,1,0,0,0|1,1,0]=4 316 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,1,0,0,0|0,0,0]=2 317 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,1,0,0,0|0,0,0]=2 318 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,1,1,0,0,0|1,0,0]=3 319 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,1,1,0,0,0|1,1,0]=4 320 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,1,1,0,0,0|1,0,0]=3 322 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,1,1,0,0,0|1,0,0]=3 323 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)Cl T100072 [0,1,1,0,0,0|1,0,1]=4 324 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,1,0,0,0|2,0,0]=4 325 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,1,0,0,0|1,0,0]=3 326 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,1,0,0,0|1,0,0]=3 327 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,1,0,0,0|1,1,0]=4 328 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,1,0,0,0|1,1,0]=4 329 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,1,0,0,0|1,0,0]=3 330 B12R1.127 NC(=S)NC1=C(C=CC(=C1)Cl)Cl R611735 [0,1,1,0,0,0|1,1,0]=4 331 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,1,0,0,0|1,1,0]=4 332 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,1,0,0,0|1,0,0]=3 334 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,1,0,0,0|2,0,0]=4 335 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,1,0,0,0|1,0,0]=3 336 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,1,0,0,0|1,1,0]=4 337 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,1,1,0,0,0|2,0,0]=4 339 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,1,1,0,0,0|2,0,0]=4 340 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,1,1,0,0,0|2,0,0]=4 341 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,1,1,0,0,0|2,0,0]=4 342 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.268 COC1=C(C=C(C=C1)C)NC=O S623261 [0,1,1,0,0,0|1,0,0]=3 345 B12R1.268 COC1=C(C=C(C=C1)Cl)NC=O S702781 [0,1,1,0,0,0|0,0,0]=2 346 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [1,1,0,0,0,0|1,1,0]=4 347 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [1,1,0,0,0,0|1,1,0]=4 348 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,1,0,0,0,0|1,0,0]=3 350 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [1,1,0,0,0,0|0,1,0]=3 351 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,1,0,0,0,0|1,0,0]=3 352 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [1,1,0,0,0,0|1,0,0]=3 353 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,1,0,0,0,0|1,0,0]=3 354 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,1,0,0,0,0|1,0,0]=3 355 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [1,1,0,0,0,0|1,1,0]=4 356 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [1,1,0,0,0,0|0,1,1]=4 357 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [1,1,0,0,0,0|1,1,0]=4 358 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [1,1,0,0,0,0|2,0,0]=4 359 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [1,1,0,0,0,0|1,0,1]=4 360 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [1,1,0,0,0,0|2,0,0]=4 361 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [1,1,0,0,0,0|1,0,1]=4 362 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [1,1,0,0,0,0|2,0,0]=4 363 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [1,1,0,0,0,0|1,0,0]=3 364 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [1,1,0,0,0,0|1,1,0]=4 365 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [1,1,0,0,0,0|2,0,0]=4 366 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [1,1,0,0,0,0|1,0,1]=4 367 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [1,1,0,0,0,0|0,0,0]=2 368 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [1,1,0,0,0,0|1,0,1]=4 369 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [1,1,0,0,0,0|2,0,0]=4 370 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [1,1,0,0,0,0|1,0,0]=3 371 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [1,1,0,0,0,0|0,1,0]=3 372 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [1,1,0,0,0,0|2,0,0]=4 373 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [1,1,0,0,0,0|2,0,0]=4 374 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [1,1,0,0,0,0|2,0,0]=4 375 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [1,1,0,0,0,0|1,0,0]=3 376 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [1,1,0,0,0,0|1,1,0]=4 377 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [1,1,0,0,0,0|1,0,1]=4 378 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [1,1,0,0,0,0|1,0,1]=4 379 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,1,0,0,0,0|2,0,0]=4 380 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,1,0,0,0,0|2,0,0]=4 381 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [1,1,0,0,0,0|1,1,0]=4 382 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [1,1,0,0,0,0|2,0,0]=4 383 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [1,1,0,0,0,0|1,0,0]=3 384 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [1,1,0,0,0,0|2,0,0]=4 385 B14R2.134 C/N=C/1\COC2=CC=C(C=C2N1)Cl PH013250 [0,1,0,0,0,1|1,0,0]=3 386 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [0,1,0,0,0,1|1,0,0]=3 387 B14R2.134 O=C1COC2=CC=C(C=C2N1)CO JRD0945 [0,1,0,0,0,1|1,0,0]=3 388 B14R2.134 O=C1COC2=CN=C(C=C2N1)CO PH018586 [0,1,0,0,0,1|2,0,0]=4 389 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,1,0,0,0,1|2,0,0]=4 390 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [0,1,0,0,0,1|1,0,0]=3 391 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br IDF00068 [0,1,0,0,0,1|2,0,0]=4 392 B14R2.8239 CC1=C(N=C2OCC(=O)NC2=C1)I ADE001277 [0,1,0,0,0,1|2,0,0]=4 393 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,1,0,0,0,1|2,0,0]=4 394 B14R2.8239 CC1OC2=C(C=C(C=C2)N)NC1=O JRD0674 [0,1,0,0,0,1|1,0,0]=3 395 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Br JRD0725 [0,1,0,0,0,1|0,1,0]=3 396 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Cl OTV000335 [0,1,0,0,0,1|0,0,0]=2 397 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)F JRD0727 [0,1,0,0,0,1|0,1,0]=3 398 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)N OTV000478 [0,1,0,0,0,1|1,0,0]=3 399 B14R2.8239 CC1SC2=CC=C(C=C2NC1=O)Br VBP00194 [0,1,0,0,0,1|0,2,0]=4 400 B14R2.8239 NC1=CC2=C(C=C1Cl)NC(=O)CO2 T316199 [0,1,0,0,0,1|0,0,0]=2 401 B14R2.8239 O=C1COC2=C(N1)C=C(C(=C2)Br)Br L168203 [0,1,0,0,0,1|0,1,0]=3 402 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,1,0,0,0,1|1,0,0]=3 403 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,1,0,0,0,1|1,1,0]=4 404 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1 PH009098 [0,1,0,0,0,1|1,0,1]=4 405 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,1,0,0,0,1|2,0,0]=4 406 B14R2.29365 O=C1COC2=C(C=C(N=C2N1)Br)Br ADE001307 [0,1,0,0,0,1|1,1,0]=4 407 B14R2.29365 O=C1COC2=C(N1)C=C(C=C2Cl)Cl PH011058 [0,1,0,0,0,1|0,0,0]=2 408 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [0,1,0,0,0,1|1,0,0]=3 409 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [0,1,0,0,0,1|0,1,0]=3 410 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,1,0,0,0,1|2,0,0]=4 411 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,1,0,0,0,1|2,0,0]=4 412 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 S188131 [0,1,0,0,0,1|2,0,0]=4 413 B14R2.8235 NC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 PH008190 [0,1,0,0,0,1|2,0,0]=4 414 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,1,0,0,0,1|1,1,0]=4 415 B14R2.29369 CC1=C(C=CC2=C1CCC(=O)O2)Cl IDF00015 [0,1,0,0,0,1|1,0,0]=3 416 B14R2.106 OCCC1=NC2=CC=C(C=C2N1)Cl CBR00563 [0,2,0,0,0,0|1,0,1]=4 417 B14R2.3304 COC1=CC=C2C=C(NC2=C1)C=O PH009818 [0,2,0,0,0,0|2,0,0]=4 418 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O CDS008857 [0,2,0,0,0,0|2,0,0]=4 419 B14R2.4529 NC1=CC=C2OC(=CC2=C1)C(=O)O CDS023605 [0,2,0,0,0,0|2,0,0]=4 420 B14R2.4529 O=C(Cl)C1=CC2=CC(=CC=C2N1)Cl PH015253 [0,2,0,0,0,0|2,0,0]=4 421 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,2,0,0,0,0|1,1,0]=4 422 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br PH006864 [0,2,0,0,0,0|1,1,0]=4 423 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,2,0,0,0,0|1,0,0]=3 424 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,2,0,0,0,0|2,0,0]=4 425 B14R2.4529 O=C(O)C1=CC2=NC=C(C=C2N1)Cl PHB00203 [0,2,0,0,0,0|2,0,0]=4 426 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2N1)F CDS022344 [0,2,0,0,0,0|1,1,0]=4 427 B14R2.4529 O=C([O-])C1=CC2=C(O1)C=CC(=C2)Br R407798 [0,2,0,0,0,0|1,1,0]=4 428 B14R2.38331 NCC1=NC2=C(O1)C(=CC(=C2)Cl)Cl PH019480 [0,2,0,0,0,0|1,0,1]=4 429 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 CBR01626 [0,2,0,0,0,0|2,0,0]=4 430 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,2,0,0,0,0|2,0,0]=4 431 B14R2.645 CC1=CC2=C(C=C1Br)NC(=O)C2=O R396656 [0,2,0,0,0,0|1,1,0]=4 432 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S394726 [0,2,0,0,0,0|2,0,0]=4 433 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S981559 [0,2,0,0,0,0|2,0,0]=4 434 B14R2.645 O=C1NC2=C(C1=O)C=C(C(=C2)Cl)F PH000435 [0,2,0,0,0,0|1,0,0]=3 435 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,2,0,0,0,0|2,0,0]=4 436 B14R2.8716 CC1=CC=C2C(=C1)N(C(=O)N2C)C TMT00069 [0,2,0,0,0,0|2,0,0]=4 437 B14R2.4217 CCN1C(=O)NC2=CC(=CC=C12)C PH007130 [0,2,0,0,0,0|2,0,0]=4 438 B14R2.4217 CCN1C(=O)SC2=C1C=CC(=C2)Cl S378100 [0,2,0,0,0,0|2,0,0]=4 439 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,2,0,0,0,0|1,0,0]=3 440 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,0,1,1,0,0|1,0,1]=4 441 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,0,1,1,0,0|1,0,1]=4 442 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,1,0,1,0|2,0,0]=4 443 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,1,0,1,0|2,0,0]=4 444 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,1,0,1,0|1,0,0]=3 445 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,1,0,1,0|1,1,0]=4 446 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,1,0,1,0|2,0,0]=4 447 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,1,0,1,0|2,0,0]=4 448 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,1,0,1,0|2,0,0]=4 449 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,1,0,1,0|2,0,0]=4 450 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,1,0,1,0|1,1,0]=4 451 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,1,0,1,0|2,0,0]=4 452 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,1,0,1,0|2,0,0]=4 453 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,0,1,0,1,0|2,0,0]=4 454 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,1,0,1,0|1,1,0]=4 455 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,0,1,0,1,0|2,0,0]=4 456 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,1,0,1,0|2,0,0]=4 457 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,1,0,1,0|2,0,0]=4 458 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,1,0,1,0|1,1,0]=4 459 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,1,0,1,0|1,0,0]=3 460 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,1,0,1,0|2,0,0]=4 461 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,1,0,1,0|2,0,0]=4 462 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,1,0,1,0|2,0,0]=4 463 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,1,0,1,0|2,0,0]=4 464 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,1,0,1,0|2,0,0]=4 465 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,1,0,1,0|1,1,0]=4 466 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,1,0,1,0|2,0,0]=4 467 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,1,0,1,0|1,1,0]=4 468 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,1,0,1,0|1,0,0]=3 469 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,1,0,1,0|1,0,0]=3 470 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,1,0,1,0|1,1,0]=4 471 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,1,0,1,0|2,0,0]=4 472 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,1,0,1,0|2,0,0]=4 473 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,0,1,0|1,0,0]=3 474 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [1,0,0,0,1,0|0,0,2]=4 475 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,1,0,0,1|2,0,0]=4 476 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,1,0,0,1|2,0,0]=4 477 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,0,1,0,0,1|2,0,0]=4 478 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,0,1,0,0,1|2,0,0]=4 479 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,0,1,0,0,1|1,1,0]=4 480 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,0,1,0,0,1|1,1,0]=4 481 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,0,1,0,0,1|1,1,0]=4 482 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,0,1,0,0,1|1,0,0]=3 483 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,1,0,0,1|2,0,0]=4 484 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,1,0,0,1|0,1,0]=3 485 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,1,0,0,1|1,0,0]=3 486 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,1,0,0,1|0,1,0]=3 487 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,0,1,0,0,1|1,1,0]=4