0 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 04-2269 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 19-2866 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 FCCCC1=CC=CC=C1 26-1053 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.17 N#CCCC1=CC=CC=C1 CS-895 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 OCCCC1=CC=CC=C1 CS-892 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 OCCCC1=NC=CC=C1 08-7929 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.18 FC(F)OC1=CC=CC=C1 26-669 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CS-887 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 04-2243 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19-2524 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 025872 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2812 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2813 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 08-4991 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 08-9506 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 08-7660 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19-1006 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 04-2638 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.27 N#CC1CC1C2=CC=CC=C2 08-10102 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.15 CCC(=O)C1=CC=CC=C1 CS-712 [0,0,0,0,1,0|2,0,1]=4 20 B10R1.15 COC(=O)C1=CC=CC=C1 026182S [0,0,0,0,1,0|2,0,1]=4 21 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 CS-894 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CS-890 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.15 N=C(NN)C1=CC=CC=C1 08-9993 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.27 COC(=O)CNC1=CC=CC=C1 04-2314 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.8 CCCC1=NC=CN=C1 CS-905 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 C\N=N\C1=CC=CC=C1 BIO-996 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.8 ClCCC1=CC=CC=C1 06-1703 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 NNCC1=CC=CC=C1 08-3921 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 NNCC1=CC=CN=C1 08-10226 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 NNCC1=CC=CN=C1 08-5284 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 NNCC1=CC=NC=C1 08-5283 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 NNCC1=NC=CC=C1 08-10225 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.8 NNCC1=NC=CC=C1 08-5285 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 NOCC1=CC=CC=C1 04-449 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 OCCC1=CC=CC=C1 026140S [2,0,0,0,0,0|1,0,0]=3 36 B11R1.1 C=CCCC1=CC=C(F)C=C1 27-147 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.1 N#CCCC1=CC=C(O)C=C1 CS-609 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.28 OCCOCC1=CC=CC=C1 19-1059 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [1,1,0,0,0,0|2,0,0]=4 40 B11R1.91 C[C@H](O)COC1=CC=CC=C1 CS-872 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.91 OB(O)CCC1=CC=CC=C1 08-1233 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 21-334 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 08-065 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 04-2313 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 08-9578 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.86 CN(C)CC1=C(O)C=CC=N1 08-10493 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 09-582 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 08-064 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 04-2422 [0,1,0,0,0,1|1,0,1]=4 51 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 08-10046 [0,2,0,0,0,0|2,0,0]=4 52 B11R2.20 C1=NC=C2CNCCC2=N1 20-1913 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [1,0,0,1,0,0|1,0,1]=4 54 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 08-4902 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 08-8040 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 08-4556 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 08-10095 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 08-1734 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.6 CN(C)C1=CC=CC=C1 CS-447 [1,0,0,0,1,0|1,0,0]=3 60 B9R1.6 CN(C)C1=CC=NC=C1 08-8623 [1,0,0,0,1,0|2,0,0]=4 61 B9R1.6 CN(C)C1=CC=NC=C1 19-1234 [1,0,0,0,1,0|2,0,0]=4 62 B9R1.6 C[C@H](N)C1=CN=CN=C1 08-6310 [1,0,0,0,1,0|2,0,0]=4