0 B14R2.28472 CC1=C(O)C=C2C=CC=C(F)C2=N1 95153 [0,0,0,0,0,0|1,1,1]=3 1 B14R2.28472 CC1=CC=CC2=CC(C)=C(C)C=C12 D78423 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.28472 ClC1=CC2=NC=CC(Cl)=C2C=C1I 53871 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [0,0,0,0,0,0|0,1,0]=1 4 B14R2.28472 O=C1NC=CC2=CC(O)=C(Br)C=C12 F30569 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.28472 OC1=C(O)C=C2C(=C1)N=CN=C2Cl 59614 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.28472 OC1=C2C=C(Br)C(Br)=CC2=CC=C1 N13324 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.162 CC1=C2N=C(Br)C=CC2=CC=C1 94408 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 CC1=C2N=C(N)C=CC2=CC=C1 72104 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [1,0,0,0,0,0|2,1,0]=4 10 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 CC1=CC=C2N=CC=C(Cl)C2=N1 F15085 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [1,0,0,0,0,0|2,1,0]=4 14 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=N1 27376 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.162 FC1=CC=C2C=CC=C(Br)C2=N1 91504 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.162 NC1=C2N=C(Br)C=CC2=CC=C1 E72018 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.162 NC1=C2NC(=O)CCC2=CC=C1 O11667 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [1,0,0,0,0,0|2,1,0]=4 19 B13R2.162 NC1=CC=CC2=C1NC(=O)OC2 AC4366 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.162 NC1=NC=C2C=CC=C(Cl)C2=N1 AC3116 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.162 O=C1CSC2=CC=CC(Cl)=C2N1 H11555 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.162 O=C1N=CC2=CC=CC(Cl)=C2N1 F15812 [1,0,0,0,0,0|1,0,0]=2 23 B13R2.162 O=C1NC2=C(Br)C=CC=C2CO1 AC4475 [1,0,0,0,0,0|1,1,1]=4 24 B13R2.162 O=C1NC2=C(Cl)C=CC=C2CO1 AC4791 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.162 O=C1NC2=C(F)C=CC=C2CO1 AC4757 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,0,0,0,0,0|1,0,0]=2 30 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [1,0,0,0,0,0|1,0,2]=4 36 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.5179 ClC1=CC=C2C(Cl)=CC=[15N]C2=C1 D98227 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.5179 NC1=CN=C2C(O)=CC=CC2=C1 80441 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.5179 OC1=NC=C2C(Br)=CC=CC2=C1 24374 [1,0,0,0,0,0|2,1,0]=4 43 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 AC9845 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.2039 COC1=C(F)C=C2C(=C1)C=CN=C2Cl 69144 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.2393 O=CC1=CC2=C(Cl)C=CC=C2N=C1Cl AC2831 [0,1,0,0,0,0|3,0,0]=4 46 B15R2.13981 CC1=C(O)C=C2C=CC(F)=C(F)C2=N1 95152 [0,1,0,0,0,0|1,1,1]=4 47 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,0,1,0,0,0|1,0,2]=4 48 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,0,1,0,0,0|2,1,0]=4 49 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CO F20956 [0,0,1,0,0,0|1,0,2]=4 50 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 O10579 [0,0,0,0,1,0|3,0,0]=4 51 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,0,0,0,1,0|2,0,1]=4 52 B13R2.4856 C[C@H]1CC2=CC=CC(Cl)=C2C1=O N14229 [0,0,0,0,1,0|1,0,2]=4 53 B12R1.224 CC1=C(Cl)C=CC=C1CC(=O)O C90794 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [1,0,1,0,0,0|0,0,0]=2 55 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [1,0,1,0,0,0|0,0,2]=4 56 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [1,0,1,0,0,0|0,0,2]=4 57 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [2,0,0,0,0,0|2,0,0]=4 63 B14R1.3135 COC1=C(NC(=O)C(=O)O)C=CC=C1 AT24760 [0,1,1,0,0,0|2,0,0]=4 64 B14R2.142 CC1=C2N=C(C=O)C=CC2=CC=C1 AT13132 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=C1 N14592 [1,1,0,0,0,0|1,0,1]=4 66 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 O11225 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=C2 AT15321 [1,1,0,0,0,0|1,0,0]=3 68 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=N2 C92918 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.8045 CC1=CC(=O)NC2=C(Br)C=CC=C12 D73568 [1,1,0,0,0,0|0,1,0]=3 70 B14R2.8045 CC1=CC(=O)NC2=C(F)C=CC=C12 A11557 [1,1,0,0,0,0|0,1,0]=3 71 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O F14754 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.8045 O=C1C=C(O)C2=CC=CC(Br)=C2N1 D73420 [1,1,0,0,0,0|0,1,0]=3 73 B14R2.8045 O=C1CC(=O)C2=CC=CC(F)=C2N1 F15665 [1,1,0,0,0,0|0,1,1]=4 74 B14R2.8045 O=C1CC2=C(Cl)C=CC=C2C(=O)N1 D80048 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.8045 O=C1NC(=O)C2=CC=CC(Cl)=C2N1 P16564 [1,1,0,0,0,0|1,0,0]=3 76 B14R2.8235 CC1=CC(Br)=CC2=C1NC(=O)C=C2 AC7497 [1,1,0,0,0,0|1,0,0]=3 77 B14R2.8235 O=C1C=CC2=CC(F)=CC(Br)=C2N1 D73421 [1,1,0,0,0,0|0,1,0]=3 78 B14R2.8235 O=C1CCC2=CC(Cl)=CC(Cl)=C2N1 D75911 [1,1,0,0,0,0|0,0,2]=4 79 B14R2.8235 O=C1CSC2=CC(Cl)=CC(Cl)=C2N1 H11202 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8235 O=C1N=CC2=CC(Br)=CC(Cl)=C2N1 F15820 [1,1,0,0,0,0|1,0,0]=3 81 B14R2.8235 O=C1N=CC2=CC(F)=CC(Br)=C2N1 F15819 [1,1,0,0,0,0|1,1,0]=4 82 B14R2.8751 O=C1N=CC2=C(Cl)C=CC(Cl)=C2N1 F15822 [1,1,0,0,0,0|1,0,0]=3 83 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [1,1,0,0,0,0|1,0,1]=4 84 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [1,1,0,0,0,0|0,0,1]=3 89 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.8239 CC1=C(O)C=C2C=CC(F)=CC2=N1 95154 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)C=C1O 67213 [1,1,0,0,0,0|0,0,0]=2 94 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [1,1,0,0,0,0|0,0,0]=2 95 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [1,1,0,0,0,0|0,0,0]=2 96 B14R2.1801 COC1=CC2=CC=CC(C)=C2C=C1 N14598 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.1801 COC1=CC2=CC=CC(N)=C2N=C1 73651 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.1801 OCC1=CN=C2C(F)=CC=CC2=C1 74983 [1,1,0,0,0,0|0,1,1]=4 99 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(O)C=C2)O1 AC1933 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.4220 CC1=C(C=O)C2=CC=CC(Cl)=C2N1 AT15910 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.4220 O=C1NC2=C(Br)C=CC=C2\C1=N\O F12270 [0,1,0,0,1,0|0,1,0]=3 102 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 AT19797 [0,1,0,0,1,0|0,1,1]=4 103 B14R2.8620 CC1=CC=C(C)C2=C1NC(=O)C2=O I10166 [0,1,0,0,1,0|1,0,1]=4 104 B14R2.8620 O=C1NC2=C(F)C=CC(Cl)=C2C1=O AC7446 [0,1,0,0,1,0|0,1,1]=4 105 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O AC8864 [0,1,0,0,1,0|1,0,1]=4 106 B14R2.8737 CC1=C(F)C=CC2=C1NC(=O)C2=O AT19799 [0,1,0,0,1,0|1,0,1]=4 107 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2Cl)C1=O 96225 [0,1,0,0,1,0|0,0,1]=3 108 B14R2.8737 O=C1NC2=C(C=CC(F)=C2F)C1=O 95150 [0,1,0,0,1,0|0,1,1]=4 109 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 AT19798 [0,1,0,0,1,0|1,0,1]=4 110 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 60164 [0,1,0,0,1,0|0,0,1]=3 111 B14R2.9184 O=C1NC2=C(F)C=C(F)C=C2C1=O Y10958 [0,1,0,0,1,0|0,1,1]=4 112 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(Br)=C21 82391 [0,1,0,0,1,0|0,1,1]=4 113 B16R2.9957 CC1=CC=CC2=C1NC(=O)C(C#N)=C2O C92304 [0,2,0,0,0,0|2,0,0]=4 114 B16R2.192589 N#CC1=CC2=CC(Cl)=CC(Cl)=C2OC1=O 97147 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.4529 CC(=O)C1=CC2=C(C=CC(C)=C2)O1 D73254 [0,0,1,1,0,0|2,0,0]=4 116 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 D73253 [0,0,1,1,0,0|1,0,0]=3 117 B14R2.4529 CC(=O)C1=CC2=C(C=CC(F)=C2)O1 D73262 [0,0,1,1,0,0|1,1,0]=4 118 B14R2.4529 CC(=O)C1=CC2=C(C=CC(O)=C2)O1 D73257 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 95736 [0,0,1,1,0,0|2,0,0]=4 120 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)O1 24218 [0,0,1,1,0,0|2,0,0]=4 121 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 D73261 [0,0,1,1,0,0|1,1,0]=4 122 B14R2.7969 NC(=O)C1=CC2=C(S1)C(Cl)=NC=C2 57205 [0,0,1,1,0,0|1,1,0]=4 123 B14R2.7969 NC(=O)C1=CC2=NC=CC(Cl)=C2S1 57215 [0,0,1,1,0,0|1,1,0]=4 124 B12R1.3441 O=C(CO)C1=C(Cl)C=CC=C1Cl AC6627 [0,0,1,0,1,0|1,0,1]=4 125 B12R1.3441 O=C(CO)C1=C(Cl)C=CC=C1F AC4000 [0,0,1,0,1,0|1,0,1]=4 126 B12R2.202 CC1=CC2=CC=CC(Br)=C2N1 AT16060 [1,0,0,0,1,0|1,1,0]=4 127 B12R2.202 CC1=CC2=CC=CC(N)=C2N1 P20352 [1,0,0,0,1,0|2,0,0]=4 128 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [1,0,0,0,1,0|0,1,1]=4 131 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [1,0,0,0,1,0|1,1,0]=4 132 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [1,0,0,0,1,0|1,1,0]=4 133 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [1,0,0,0,1,0|2,0,0]=4 134 B12R2.203 CC1=CNC2=CC=CC(Cl)=C12 82101 [1,0,0,0,1,0|2,0,0]=4 135 B12R2.203 O=C1COC2=CC=CC(Cl)=C12 AT10336 [1,0,0,0,1,0|1,0,1]=4 136 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,1,0|1,0,1]=4 137 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,1,0|1,0,1]=4 138 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,1,0|1,0,1]=4 139 B12R2.196 BrC1=CC=CC2=C1NC=C2I F17983 [1,0,0,0,1,0|1,1,0]=4 140 B12R2.196 CC1=CC=CC2=C1NN=C2O F18597 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.196 CC1=CNC2=C(N)C=CC=C12 F50995 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.196 ClC1=C2NC=C(Br)C2=NC=C1 P11559 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.196 NC1=CC=CC2=C1NC=C2Cl AC8606 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.196 OC1=NNC2=C(F)C=CC=C12 F18746 [1,0,0,0,1,0|1,1,0]=4 145 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 D77604 [0,0,1,0,0,1|1,0,1]=4