0 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091A [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.348 C1=CC=C(C=C1)C[C@@H](CC(=O)O)N LN02177509 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.64 C(N1CC=CC1)C2=CC=CC=C2 AC160514 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.135 CC1=C(C=O)C2=C(N1)C=CC=C2 AC510829 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 HY-B1047 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [2,0,0,0,0,0|1,0,1]=4 11 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [2,0,0,0,0,0|1,0,0]=3 13 B10R1.17 O=CC#CC1=CC=CC=C1 AC500018 [2,0,0,0,0,0|0,0,2]=4 14 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.8 C=CCCNCC1=CC=CC=C1 LN00150307 [1,1,0,0,0,0|2,0,0]=4 18 B12R1.252 OC(=O)CCCC1=CC=CC=C1 AC180078 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AC190256 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.252 OC(=O)COCC1=CC=CC=C1 AC180997 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.252 [O-]C(=O)CCCC1=CC=CC=C1 HY-15654 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.43 C/C(=C\C1=CC=CC=C1)C(O)=O AC100076 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.43 C1=C(C=CN=C1)CC(C(=O)O)N LN00346608 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.43 C1=C(C=CN=C1)CC(C(=O)O)N LN01376046 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.43 NC(CC1=CC=CC=C1)C(O)=O AC500212 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O AC510918 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HY-N0215 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.43 O[C@@H](CC1=CC=CC=C1)C(O)=O AC511592 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [1,1,0,0,0,0|0,0,1]=3 31 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 AC021707 [0,1,0,0,1,0|0,0,0]=2 33 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.158 CC(CC1=CC=CC=C1)NCCCCl HY-U00115 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.425 C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)O)O)N LN01364850 [0,2,0,0,0,0|2,0,0]=4 37 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [1,0,0,1,0,0|1,0,1]=4 39 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [1,0,0,1,0,0|1,0,0]=3 41 B12R2.1081 O=C1CCCC2=C1N=CC=C2 AC181728 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC510788 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.1081 O=C1COCC2=C1C=CC=C2 AC182447 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 AC180180 [1,0,0,1,0,0|0,0,2]=4 45 B12R2.18 C1=CC=C2C(=C1)CC(=O)C2=O LN01358389 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [1,0,0,1,0,0|1,0,1]=4 47 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [1,0,0,1,0,0|0,0,2]=4 48 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AC182462 [0,0,0,1,1,0|2,0,0]=4 49 B14R2.436 O=C1CC(C1)OCC2=CC=CC=C2 AC131001 [0,0,0,1,0,1|1,0,0]=3 50 B14R2.6 C(C1CCCCN1)C2=CC=CC=C2 AC051181 [0,1,0,1,0,0|1,0,1]=4 51 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AC180097 [0,1,0,1,0,0|2,0,0]=4 52 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC510621 [0,1,0,1,0,0|0,0,0]=2 53 B14R2.29496 CC1(C)CC(=O)C2=C(O1)C=CC=C2 AC050525 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,0,0,0,1,0|0,0,0]=2