0 B13R2.369 CC1=C(C=C2C=CC=NC2=C1)O ACS020406 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 CC1OC2=C(NC1=O)C=CC=C2 ACS023948 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 ACS011513 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.24 BrC=1C=NC2=NC=CC=C2C1 ACS019320 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 C1=NC=CC2=CC(=CC=C12)O ACS019274 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 C1=NC=CC2=CC=C(C=C12)O ACS017356 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 CC1=CC=C2C=CC=NC2=C1 ACS010846 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ACS011598 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 CC=1C=CC=2C(=NC=CN2)N1 ACS020975 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.24 Cc1ccc2ccccc2n1 ACS015496 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.24 ClC1=CC=C2C=NC=NC2=C1 ACS011704 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 IC=1C=C2C=CC=NC2=CC1 ACS017174 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 N1=C(C=CC2=NC=CC=C12)O ACS019147 [1,0,0,0,0,0|0,0,2]=3 14 B12R2.24 N1C(C=CC2=CN=CC=C12)=O ACS019125 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 NC1=CC2=CC=CC=C2C=C1 ACS015421 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [1,0,0,0,0,0|2,0,1]=4 17 B14R2.1128 FC1=C(C=C2C=CC=NC2=C1)CO ACF023315 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8188 BrC=1C(=C2C=CC=NC2=CC1F)F ACF021032 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.100 FC1=C(C=C2C=CNC2=C1)O ACF022125 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [1,0,1,0,0,0|2,0,0]=4 23 B11R2.20 N1=CC=CC2=CN=CC=C12 ACS019270 [2,0,0,0,0,0|2,0,0]=4 24 B11R2.20 N1=CC=CC2=NC=CC=C12 ACS019642 [2,0,0,0,0,0|0,0,1]=3 25 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [1,1,0,0,0,0|1,0,0]=3 26 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)Cl ACS017361 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)N ACS020497 [1,1,0,0,0,0|2,0,0]=4 28 B13R2.155 OC1=CC=C2C=CC(NC2=C1)=O ACS010856 [1,1,0,0,0,0|1,0,0]=3 29 B13R2.162 BrC=1C=CC=C2C=CC(NC12)=O ACS017354 [1,1,0,0,0,0|1,0,0]=3 30 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)F ACF015526 [1,1,0,0,0,0|2,0,0]=4 31 B13R2.328 BrC=1C=C2C=CC=NC2=C(C1)O ACS020695 [1,1,0,0,0,0|2,0,0]=4 32 B13R2.328 OC1=CC(=CC2=CC=CC=C12)O ACS024035 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.3683 BrC=1C=C2C=CC(=CC2=CC1)O ACS015440 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.3683 BrC=1C=C2C=CC(NC2=CC1)=O ACS017355 [1,1,0,0,0,0|1,0,0]=3 35 B13R2.3683 BrC=1C=C2C=NC(NC2=CC1)=O ACS023890 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.3683 BrC=1C=NC2=CC(=CC=C2C1)I ACS020896 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.3683 CC=1C=C2C=CC(=CC2=CC1)O ACS019324 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.3683 ClC1=NC2=CC=C(N=C2C=C1)Cl ACS020580 [1,1,0,0,0,0|1,0,1]=4 39 B13R2.3683 ClC=1C=C2C=CC(=CC2=CC1)O ACS017384 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)O ACF017274 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.3683 FC=1C=C2C=CC(=NC2=CC1)C ACF015475 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.3683 NC=1C=C2C=CC(NC2=CC1)=O ACS019131 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.3683 NC=1C=C2N=CC(NC2=CC1)=O ACS020816 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)C ACS020355 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.5179 ClC=1C=CN=C2C=C(C=NC12)F ACF021864 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.5179 ClC=1C=CN=C2C=C(C=NC12)O ACS020599 [1,1,0,0,0,0|0,0,1]=3 47 B13R2.3028 ClC=1C=C2C(C(NC2=CC1)=O)=O ACS011581 [0,1,0,0,1,0|1,0,1]=4 48 B13R2.3028 FC=1C=C2C(C(NC2=CC1)=O)=O ACF010210 [0,1,0,0,1,0|1,0,1]=4 49 B13R2.3085 ON1C(C=2C(C1=O)=CC=CC2)=O ACS011841 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)=O ACF015474 [0,1,0,0,1,0|1,0,1]=4 51 B15R2.2393 ClC1=CC=NC2=CC(=C(C=C12)OC)O ACS015444 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.435 S1C(=CC2=NC=CC=C21)C(=O)O ACS018423 [0,0,1,1,0,0|1,1,0]=4 53 B11R2.1 BrC1=NNC=2C1=NC=CC2 ACS018346 [1,0,0,0,1,0|2,0,0]=4 54 B11R2.1 CC1=NNC=2C1=NC=CC2 ACS018967 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.1 FC1=CNC2=NC=CC=C21 ACF021934 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.1 IC1=NNC=2C1=NC=CC2 ACS018966 [1,0,0,0,1,0|2,0,0]=4 57 B11R2.1 O1CC(C=2C1=NC=CC2)=O ACS017716 [1,0,0,0,1,0|1,0,1]=4 58 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.10 ClC=1NC=2C(=NC=CC2)N1 ACS023940 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.10 N1C(=NC2=NC=CC=C21)N ACS019249 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.10 N1C(NC2=NC=CC=C21)=O ACS024033 [1,0,0,0,1,0|1,0,0]=3 62 B11R2.36 N1C=CC=2C1=NC=C(C2)O ACS019955 [1,0,0,0,1,0|1,0,1]=4 63 B11R2.36 O1C=CC2=C1C=C(C=C2)O ACS017489 [1,0,0,0,1,0|2,0,0]=4 64 B11R2.36 O1C=CC2=C1C=CC(=C2)O ACS020186 [1,0,0,0,1,0|2,0,0]=4 65 B11R2.36 OC=1C=C2C=CNC2=CC1 ACS011023 [1,0,0,0,1,0|2,0,0]=4 66 B11R2.36 S1C2=C(C=C1)C=CC(=C2)O ACS018372 [1,0,0,0,1,0|2,0,0]=4