0 B14R2.28472 CC1=CC2=CC=CC(C)=C2N=C1Cl OR307903 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.28472 CC1=CC2=CC=CC(C)=C2N=C1N OR307518 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.28472 ClC1=NC2=C(Br)C=CC=C2C=C1I OR8710 [0,0,0,0,0,0|2,1,1]=4 3 B13R2.162 CC1=CC2=C(C=CC=C2C)C=C1 OR3959 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 OR55098 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.162 CC1=CC=C2C=CC=C(S)C2=N1 OR52643 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 OR470553 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 OR307890 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 OR27930 [1,0,0,0,0,0|1,1,1]=4 9 B13R2.162 FC1=C2C=C(Br)C=NC2=CC=C1 PC201138 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 FC1=CC=CC2=C1N=C(Cl)C=C2 PC520725 [1,0,0,0,0,0|1,0,1]=3 11 B13R2.162 NC1=NC2=C(F)C=CC=C2C=C1 PC201122 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.162 NC1=NC=C2C=CC=C(F)C2=N1 PC430591 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 O=C1CCC2=C(N1)C(Br)=CC=C2 OR450045 [1,0,0,0,0,0|0,1,2]=4 14 B13R2.162 O=C1CCC2=C(N1)C(Cl)=CC=C2 OR450049 [1,0,0,0,0,0|0,1,2]=4 15 B13R2.162 O=C1CCC2=C(N1)C(F)=CC=C2 PC250018 [1,0,0,0,0,0|0,0,2]=3 16 B13R2.369 BrC1=CC2=C(C=CC=C2)C=C1Br OR302155 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.369 CC1=CC2=CC=CC=C2N=C1N OR309451 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O OR300638 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 CC1=NC2=CC=CC=C2C=C1N OR309366 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O OR110446 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 NC1=CC2=CC=CC=C2OC1=O OR6156 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O OR54537 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl OR345156 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.369 OC1=NC2=CC=CC=C2N=C1O OR30493 [1,0,0,0,0,0|1,0,2]=4 25 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 OR310786 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 PC407025 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 PC201317 [1,0,0,0,0,0|1,1,1]=4 28 B13R2.5179 NC1=CC2=CC=CC(F)=C2N=C1 PC49034 [1,0,0,0,0,0|1,0,1]=3 29 B13R2.5179 NC1=CC=CC2=C1N=CC(Cl)=C2 OR310905 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.5179 NC1=CC=CC2=C1N=CC(I)=C2 OR303092 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 OR302275 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5179 OC1=NC2=CC=CC(Br)=C2C=C1 OR302486 [1,0,0,0,0,0|2,1,0]=4 33 B15R2.2039 CC1=C2N=C(Cl)C(CO)=CC2=CC=C1 OR309268 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 PC510274 [0,0,1,0,0,0|1,0,2]=4 35 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 PC510276 [0,0,1,0,0,0|1,0,2]=4 36 B13R1.202 CC(Br)C(=O)NC1=CC=CC=C1F PC31102 [0,0,1,0,0,0|1,0,2]=4 37 B13R1.4928 NNC(=O)NC1=C(F)C=CC=C1F PC10178 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.4928 O=C(CCl)NC1=C(F)C=CC=C1F PC31468 [0,0,1,0,0,0|2,0,1]=4 39 B13R2.4825 CC1=C(C)C2=C(N1)C(N)=CC=C2 OR52532 [0,0,0,0,1,0|3,0,0]=4 40 B13R2.4825 CN1C(=O)NC2=C(Br)C=CC=C21 OR311049 [0,0,0,0,1,0|2,1,0]=4 41 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O PC0328 [0,0,0,0,1,0|0,0,1]=2 42 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O OR471280 [0,0,0,0,1,0|0,1,1]=3 43 B13R2.4856 O=C1C2=C(C=CC=C2F)OC1Br PC48462 [0,0,0,0,1,0|2,0,1]=4 44 B13R2.4856 O=C1NC2=C(C1=O)C(I)=CC=C2 OR471590 [0,0,0,0,1,0|1,1,1]=4 45 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O PC201235 [0,0,0,0,1,0|1,0,1]=3 46 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F PC0889 [1,0,1,0,0,0|1,0,1]=4 47 B12R1.224 O=C(O)CC1=C(Br)C(F)=CC=C1 PC1683 [1,0,1,0,0,0|1,0,1]=4 48 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 PC905262 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 PC2874A [1,0,1,0,0,0|1,0,1]=4 50 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 PC9999 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 PC31165 [1,0,1,0,0,0|0,1,1]=4 52 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC3729 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC8812 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 OR300762 [1,0,1,0,0,0|1,1,0]=4 55 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 OR350254 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.226 NC(=O)NNC1=CC(F)=CC=C1 PC9716 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.226 O=C(O)C=CC1=CC(F)=CC=C1 PC3731 [1,0,1,0,0,0|1,0,0]=3 58 B12R1.226 O=[N+]([O-])\C=C\C1=CC(F)=CC=C1 PC201286 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.125 O=C(O)C=CC1=CC=CC=C1F PC3730 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1F PC9976 [1,0,1,0,0,0|1,0,1]=4 61 B12R1.1009 CC1=C(CC(=O)O)C(F)=CC=C1 PC501113 [1,0,1,0,0,0|1,0,1]=4 62 B12R1.1009 NC(=O)NC1=C(F)C=CC=C1Br PC501546 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F PC1882 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1Br PC408232 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F PC2874D [1,0,1,0,0,0|2,0,0]=4 66 B12R2.24 FC1=CC2=CC=CC=C2C=C1 PC2378 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 O=C1COC2=C(C=CC=C2)N1 OR322066 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 PC3441 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 PC3205 [2,0,0,0,0,0|0,0,1]=3 70 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 PC3830 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.1081 FC1=CC=CC2=NC=CC=C12 PC49118 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 FC1=CC=NC2=C1C=CC=C2 PC421219 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 PC250003 [2,0,0,0,0,0|2,0,0]=4 74 B14R2.142 O=CC1=CC2=C(C=CC=C2Br)C=C1 OR314074 [1,1,0,0,0,0|1,1,0]=4 75 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 OR322386 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 OR345097 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.8045 CC1=C2NC(=O)NC(=O)C2=CC=C1 OR323138 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.8045 CC1=CC(Br)=C2C=CC=C(F)C2=N1 PC404572 [1,1,0,0,0,0|1,0,1]=4 79 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(Cl)=C1 PC200565 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(N)=C1 PC404504 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(O)=C1 PC7189 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.8045 O=C1NC2=C(F)C=CC=C2C(=O)O1 PC8703 [1,1,0,0,0,0|1,0,0]=3 83 B14R2.8235 O=C1CCC2=C(N1)C(F)=CC(Br)=C2 PC250014 [1,1,0,0,0,0|0,0,2]=4 84 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O OR25840 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.1128 N#CC1=C(O)C=C2C=CC=CC2=C1 OR471069 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O OR345027 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl OR309269 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.1801 FC1=CC=CC2=C1N=CC(CBr)=C2 PC56246 [1,1,0,0,0,0|1,0,1]=4 89 B14R2.1801 O=CC1=CC2=C(N=C1)C(F)=CC=C2 PC56247 [1,1,0,0,0,0|0,0,2]=4 90 B14R2.8038 FC1=C2N=CC(Cl)=C(Br)C2=CC=C1 PC404604 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.8038 FC1=C2N=CC(Cl)=C(Cl)C2=CC=C1 PC404598 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.8038 OC1=C(Br)C=NC2=C(F)C=CC=C12 PC404591 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.4220 O=C1NC2=C(C=CC=C2F)\C1=N\O PC3583 [0,1,0,0,1,0|0,0,0]=2 94 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O PC408007 [0,1,0,0,1,0|0,1,1]=4 95 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(Br)=C1 OR471591 [0,1,0,0,1,0|0,1,1]=4 96 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 OR322609 [0,1,0,0,1,0|1,0,1]=4 97 B14R2.27750 O=C1NC2=C(C1=O)C(F)=CC(F)=C2 PC900686 [0,1,0,0,1,0|1,0,1]=4 98 B16R2.126889 C[C@@H](O)C1=C(Cl)N=C2C(F)=CC=CC2=C1 PC400595 [0,2,0,0,0,0|1,0,1]=4 99 B14R2.1133 O=CC1=CC2=C(C=CC(F)=C2Br)S1 PC502522 [0,0,1,1,0,0|1,1,0]=4 100 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Br)=C2)O1 OR110915 [0,0,1,1,0,0|1,1,0]=4 101 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 OR110910 [0,0,1,1,0,0|1,1,0]=4 102 B14R2.4529 CC(=O)C1=CC2=CC(F)=CC=C2N1 PC210055 [0,0,1,1,0,0|2,0,0]=4 103 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 OR110952 [0,0,1,1,0,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 PC3758E [0,0,1,1,0,0|2,0,0]=4 105 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2S1 PC7542 [0,0,1,1,0,0|1,1,0]=4 106 B14R2.7969 NC(=O)C1=CC2=C(S1)C(Br)=CC=C2 OR111179 [0,0,1,1,0,0|0,2,0]=4 107 B14R2.7969 O=C(Cl)C1=CC2=C(S1)C(F)=CC=C2 PC56818 [0,0,1,1,0,0|1,1,0]=4 108 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 PC7541 [0,0,1,1,0,0|1,1,0]=4 109 B12R1.3441 O=CC(=O)C1=C(F)C=CC=C1F PC10526 [0,0,1,0,1,0|1,0,1]=4 110 B12R2.202 CC1=CC2=C(N1)C(C)=CC=C2 OR301289 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 OR200061 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 PC8677 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 PC1738 [1,0,0,0,1,0|0,0,1]=3 114 B12R2.202 O=C1NC2=C(C=CC=C2Cl)O1 OR400445 [1,0,0,0,1,0|1,1,0]=4 115 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 PC52116 [1,0,0,0,1,0|1,0,0]=3 116 B12R2.203 O=C1CCC2=CC=CC(F)=C12 PC2136 [1,0,0,0,1,0|0,0,2]=4 117 B12R2.203 O=C1COC2=CC=CC(F)=C12 PC6226 [1,0,0,0,1,0|1,0,1]=4 118 B12R2.203 O=C1NOC2=CC=CC(F)=C12 PC201177 [1,0,0,0,1,0|2,0,0]=4 119 B12R2.203 O=C1OCC2=CC=CC(F)=C12 PC500780 [1,0,0,0,1,0|1,0,1]=4 120 B12R2.196 BrC1=CC=CC2=C1NC=C2I OR305203 [1,0,0,0,1,0|1,1,0]=4 121 B12R2.196 FC1=C2NN=C(Br)C2=CC=C1 PC201097 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.196 O=C1NNC2=C1C=CC=C2F PC402043 [1,0,0,0,1,0|1,0,1]=4