0 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 26-737 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CCOC(=O)C1=CC=CC=C1 026005S [1,0,0,0,0,0|0,0,0]=1 2 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 C[C@H](O)COC1=CC=CC=C1 CS-872 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 19-2798 [0,0,0,1,0,0|2,0,1]=4 5 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 19-714 [0,0,0,1,0,0|2,0,1]=4 6 B13R1.45 O=C(O)COC(=O)C1=CC=CC=C1 19-1378 [0,0,0,0,0,1|2,0,1]=4 7 B10R1.15 CCC(=O)C1=CC=CC=C1 CS-712 [2,0,0,0,0,0|0,0,0]=2 8 B10R1.15 COC(=N)C1=NC=CC=C1 BIO-868 [2,0,0,0,0,0|2,0,0]=4 9 B10R1.15 COC(=O)C1=CC=CC=C1 026182S [2,0,0,0,0,0|0,0,0]=2 10 B10R1.15 COC(=O)C1=NC=CC=N1 08-2436 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.15 COC(=O)C1=NC=CN=C1 08-1209 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.15 COC(=O)C1=NC=NC=C1 08-5556 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.15 COC(=O)C1=NN=CC=C1 08-6136 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.15 O=C(CF)C1=CC=CC=C1 21-482 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.15 O=C(CO)C1=CC=CC=C1 CS-546 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.17 OC\C=C\C1=CC=CC=C1 026025 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 09-1089 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS-524 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS-525 [1,1,0,0,0,0|0,0,0]=2 20 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 026452S [1,1,0,0,0,0|0,0,0]=2 21 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 08-7303 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 08-10354 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 08-6013 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 09-3246 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 08-7300 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 BIO-480 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 CS-523 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 026451S [1,1,0,0,0,0|0,0,0]=2 29 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 21-090 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 08-8257 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 08-6010 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 21-089 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 08-10626 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 08-7297 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 026016S [1,1,0,0,0,0|0,0,0]=2 36 B12R1.20 C[C@H](Cl)C(=O)C1=CC=C(F)C=C1 26-420 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.225 CN(C)C(=O)C1=CC(O)=CC=C1 08-10591 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F 08-10398 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F 26-1836 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.265 CC(C)(C)OC(=O)C1=CNN=C1 08-6730 [0,1,0,0,1,0|2,0,0]=4 41 B14R1.433 CC(C)(C)OC(=O)NC1=CN=NC=C1 08-8104 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 08-4961 [0,1,0,0,0,1|1,0,0]=3 43 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(Br)C=C1 08-159 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=C1 26-2686 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.6048 CC(C)OC(=O)C1=NC=C(Br)C=C1N 08-4617 [0,2,0,0,0,0|1,0,0]=3 46 B14R1.5966 CC(C)(C)OC(=O)C1=CC(Cl)=NC=C1 08-4714 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.75 CC(C)OC1=C(C=O)C=CC=N1 08-9940 [0,0,1,1,0,0|2,0,0]=4 48 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 08-5620 [1,0,0,1,0,0|1,0,1]=4 49 B12R2.1081 O=C1CCCC2=C1C=CC=N2 08-5114 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.1081 O=C1CCCC2=CC=CN=C12 08-10327 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1081 O=C1CCOC2=C1C=CC=C2 17-076 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 O=C1COCC2=C1C=CC=C2 08-3230 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.8235 C[C@H]1CC(=O)C2=C(C=CC(F)=C2)O1 26-977 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.690 CC1CC1(Cl)S(=O)C2=CC=CC=C2 08-6951 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.11 CCOC(=O)C1=CNN=C1 08-7324 [1,0,0,0,1,0|2,0,0]=4 56 B10R1.11 CCOC(=O)C1=COC=N1 08-2722 [1,0,0,0,1,0|2,0,0]=4 57 B10R1.11 CCOC(=O)C1=CON=C1 08-7326 [1,0,0,0,1,0|2,0,0]=4 58 B10R1.11 CCOC(=O)C1=CSC=C1 08-8770 [1,0,0,0,1,0|1,0,0]=3 59 B10R1.11 CCOC(=O)C1=CSC=N1 08-1118 [1,0,0,0,1,0|2,0,0]=4 60 B10R1.11 CCOC(=O)C1=NNC=C1 08-5204 [1,0,0,0,1,0|2,0,0]=4 61 B10R1.11 CCOC(=O)C1=NOC=C1 08-7294 [1,0,0,0,1,0|2,0,0]=4 62 B10R1.18 FC(F)OC1=CC=CC=C1 26-669 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CS-887 [1,0,0,0,0,1|1,0,0]=3