0 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=C(C)C=C2N=CC=CC2=C1 N13369 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 CC1=NC2=NC=CN=C2C=C1Br W10492 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 ClC1=NC2=NC=CC=C2C=C1Br F30307 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 NC1=CC2=CC=CN=C2C=C1Cl 91345 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.369 N[C@H]1CC2=C(C=CC=N2)NC1=O C13580 [0,0,0,0,0,0|1,0,2]=3 13 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.369 OC1=NC2=CC=CN=C2C=C1Br F30271 [0,0,0,0,0,0|1,0,2]=3 15 B12R2.24 FC1=CC2=NC=NC=C2C=C1 D75735 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 NC1=CC2=CC=CN=C2N=C1 N10431 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 NC1=NC2=NC=CN=C2C=C1 SC3091 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [1,0,0,0,0,0|0,0,0]=1 20 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [1,0,0,0,0,0|2,0,1]=4 24 B14R2.639 CC1(C)OC2=C(C=CC=N2)NC1=O E70024 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [0,1,0,0,0,0|1,0,1]=3 31 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.8239 CC1=C(O)C=C2C=CC(F)=CC2=N1 95154 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.8239 NC1=CN=C2C=C(F)C(F)=CC2=C1 73650 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)C=C1O 67213 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.28472 CC1=C(O)C=C2C=CC=C(F)C2=N1 95153 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.28472 ClC1=CC2=NC=CC(Cl)=C2C=C1I 53871 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.28472 NC1=NC2=C(C=CC=C2O)NC1=O F14454 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [0,1,0,0,0,0|1,0,0]=2 43 B14R2.28472 O=C1NC=NC2=C1C=C(O)C(O)=C2 Y11343 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.28472 OC1=C(O)C=C2C(=C1)N=CN=C2Cl 59614 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,0,1,0,0,0|2,0,1]=4 46 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,0,1,0,0,0|1,0,2]=4 47 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [0,0,1,0,0,0|3,0,0]=4 49 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [0,0,0,0,1,0|2,0,1]=4 50 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [0,0,0,0,1,0|2,0,1]=4 51 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [0,0,0,0,1,0|2,0,1]=4 52 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,0,0,0,1,0|2,0,1]=4 53 B12R2.100 CC1=C(O)C=C2C=CNC2=C1 85913 [0,0,0,0,1,0|3,0,0]=4 54 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [0,0,0,0,1,0|3,0,0]=4 55 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 Y10133 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [1,0,1,0,0,0|0,0,2]=4 58 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [1,0,1,0,0,0|0,0,2]=4 61 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.32 CN1C(=O)CNC2=C1C=CC=N2 97249 [1,1,0,0,0,0|1,0,1]=4 63 B13R2.32 FC1=C(Br)C2=CC=CN=C2C=C1 AC2843 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.32 NC1=CC=C2N=CC=CC2=C1N 98386 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.32 NC1=CC=C2N=CC=CC2=C1N CS1203 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.32 OC1=C(Cl)C2=NC=CC=C2C=C1 C14483 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 73463 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 AT24126 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.57 COC1=CC2=NC=NC=C2C=C1 76421 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.57 ClCC1=CC2=NC=CC=C2C=C1 AT24125 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.57 N#CC1=CC2=NC=CC=C2N=C1 F53822 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.57 N#CC1=NC2=CC=CN=C2C=C1 F15617 [1,1,0,0,0,0|1,0,1]=4 74 B13R2.57 O=CC1=CC2=CN=CN=C2C=C1 72281 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 AT24124 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [1,1,0,0,0,0|0,0,0]=2 77 B13R2.155 CC1=CC2=C(N=C1)NCC(=O)N2 97243 [1,1,0,0,0,0|1,0,1]=4 78 B13R2.155 CC1=CC=C2C=CC(O)=NC2=N1 AT15928 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=C1 84135 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 80787 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.155 ClC1=CN=C2C=CC(Cl)=NC2=C1 91728 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.155 NC1=CC=C2N=CC(I)=CC2=C1 D74425 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.155 O=C1CNC2=NC=C(Cl)C=C2N1 97245 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.155 O=C1CNC2=NC=C(F)C=C2N1 97244 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.155 O=C1CSC2=NC=C(Cl)C=C2N1 F30652 [1,1,0,0,0,0|1,0,1]=4 89 B13R2.155 O=C1N=CC2=C(C=C(Br)C=C2)N1 F15807 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.155 O=C1N=CC2=C(C=C(Cl)C=C2)N1 F15805 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.155 O=C1N=CC2=C(C=C(F)C=C2)N1 F15808 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C73013 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.155 OC1=CC=C2C=CC(F)=NC2=N1 D74676 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=N1 K10107 [1,1,0,0,0,0|0,0,2]=4 95 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.155 OC1=CC=C2N=CC(F)=CC2=N1 K10125 [1,1,0,0,0,0|0,0,2]=4 97 B13R2.162 BrC1=NC2=C(Br)C=CN=C2C=C1 38685 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.162 CC1=CC=C2N=CC=C(Cl)C2=N1 F15085 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.162 CC1=CC=NC2=C1NC(=O)CN2 97247 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.162 ClC1=CC=C2N=CC=C(I)C2=C1 AT14806 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.162 O=C1N=CC2=CC=CC(Cl)=C2N1 F15812 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [1,1,0,0,0,0|1,0,1]=4 103 B13R2.162 SC1=C2C=C(Br)C=CC2=NC=C1 AT15189 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.328 CC1=CC(N)=C2C=CC=NC2=C1 K10310 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.328 CN1CC(=O)NC2=C1N=CC=C2 97250 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.328 NC1=CC2=CC=CN=C2C(Br)=C1 84593 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.328 NC1=CC2=NC=CC=C2C(Br)=C1 K10003 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [1,1,0,0,0,0|0,0,0]=2 110 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)O1 94800 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 F15898 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.3683 CC1=CC2=CC=C(N)C=C2N=C1 K10051 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [1,1,0,0,0,0|1,0,0]=3 115 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 S11534 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.3683 O=C1C=CN2N=C(Cl)C=CC2=N1 O11645 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.3683 O=C1CNC2=C(C=CC(Cl)=N2)N1 97254 [1,1,0,0,0,0|1,0,1]=4 119 B13R2.3683 O=C1COC2=C(C=CC(I)=N2)N1 AT11685 [1,1,0,0,0,0|1,0,1]=4 120 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,1,0,0,0,0|1,0,1]=4 124 B13R2.5179 CC1=CC=C2C(Br)=CC=NC2=C1 F53837 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.5179 ClC1=CC=C2C(Cl)=CC=[15N]C2=C1 D98227 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.5179 FC1=C2C=CC(Br)=CC2=NC=C1 80388 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.5179 OC1=C2N=CC(F)=CC2=NC=C1 AT22573 [1,1,0,0,0,0|1,0,1]=4 130 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [0,1,0,0,1,0|2,0,0]=4 131 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [0,1,0,0,1,0|2,0,0]=4 132 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)C=C2 91315 [0,1,0,0,1,0|2,0,0]=4 133 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,1,0,0,1,0|1,0,1]=4 134 B13R2.5190 O=C1NC2=C(C=CC(Cl)=N2)C1=O C92860 [0,1,0,0,1,0|1,0,1]=4 135 B15R2.274 O=CC1=C(F)C2=CC=CN=C2C=C1F 65963 [0,2,0,0,0,0|2,0,0]=4 136 B15R2.984 O=C(O)C1=CC2=CC=CN=C2C=C1F 95704 [0,2,0,0,0,0|2,0,0]=4 137 B15R2.1754 COC1=CC2=C(C=C(Br)C=C2)NC1=O 87957 [0,2,0,0,0,0|1,0,0]=3 138 B15R2.1754 O=CC1=CC2=C(C=C(F)C=C2)NC1=O AT24322 [0,2,0,0,0,0|1,0,1]=4 139 B15R2.1824 CC1=CC2=C(C=C1)NC(=O)C(C=O)=C2 52377 [0,2,0,0,0,0|1,0,1]=4 140 B15R2.1824 COC1=CC2=C(C=CC(Br)=C2)NC1=O 87956 [0,2,0,0,0,0|1,0,0]=3 141 B15R2.21243 CN1C(=O)C(CO)=CC2=C1C=CC=C2 C77672 [0,2,0,0,0,0|1,0,0]=3 142 B15R2.21336 COC1=CC2=C(C=C1)C=C(C)C(=O)N2 92259 [0,2,0,0,0,0|2,0,0]=4 143 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,0,1,1,0,0|1,0,0]=3 144 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,0,1,1,0,0|2,0,0]=4 145 B13R2.54 O=CC1=CC2=C(F)C=CC=C2O1 98437 [0,0,1,1,0,0|2,0,0]=4 146 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [1,0,0,0,1,0|1,0,1]=4 149 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,0,1,0|1,0,1]=4 150 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,0,1,0|1,0,0]=3 151 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [1,0,0,0,1,0|2,0,0]=4 153 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.10 NC1=NC2=NC=CC=C2N1 AC8085 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [1,0,0,0,1,0|2,0,0]=4 158 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [1,0,0,0,1,0|1,0,0]=3 159 B11R2.36 BrC1=CNC2=CN=NC2=C1 D77950 [1,0,0,0,1,0|2,0,0]=4 160 B11R2.36 O=C1C=CN2N=CC=C2N1 P11730 [1,0,0,0,1,0|1,0,0]=3 161 B11R2.36 O=C1N=CC2=C(NC=C2)N1 D73411 [1,0,0,0,1,0|2,0,0]=4 162 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,0,1,0|2,0,0]=4 163 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [1,0,0,0,1,0|1,0,1]=4 164 B11R2.36 OC1=CN=C2NC=NC2=C1 F18727 [1,0,0,0,1,0|1,0,1]=4 165 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,0,1,0,0,1|2,0,0]=4