0 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 AC020514 [0,1,0,0,0,0|2,0,1]=4 12 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AC220107 [0,0,0,1,0,0|1,0,2]=4 13 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 AC511494 [0,0,0,0,0,1|2,0,1]=4 14 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [2,0,0,0,0,0|0,0,2]=4 15 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [2,0,0,0,0,0|0,0,2]=4 18 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [2,0,0,0,0,0|1,0,0]=3 22 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [2,0,0,0,0,0|1,0,0]=3 24 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [1,1,0,0,0,0|0,0,0]=2 26 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 HY-B0471 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HY-B1116 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [1,1,0,0,0,0|0,0,0]=2 32 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [1,0,0,1,0,0|1,0,0]=3 33 B12R2.2 C1CC(CN1)C2=NC=CC=C2 AC020264 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.116 NC1(CCC1)C2=CC=CC=C2 AC051111 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [1,0,0,1,0,0|2,0,0]=4 36 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [1,0,0,1,0,0|1,0,0]=3 37 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [1,0,0,1,0,0|1,0,0]=3 38 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [1,0,0,1,0,0|1,0,0]=3 39 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [1,0,0,1,0,0|1,0,1]=4 44 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [1,0,0,1,0,0|2,0,0]=4 45 B12R1.27 CC(CO)NCC1=CC=CC=C1 AC030107 [1,0,0,0,0,1|2,0,0]=4