0 B12R1.32 CCNC(=O)CC1=CC=CC=C1 C11487 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.40 O\N=C(/S)CC1=CC=CC=C1 C03719 [1,0,0,0,0,0|2,1,0]=4 3 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 C18887 [0,1,0,0,0,0|1,0,0]=2 4 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 C07428 [0,1,0,0,0,0|2,0,1]=4 5 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 C07147 [0,0,0,1,0,0|2,0,0]=3 6 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 C13840 [0,0,0,1,0,0|2,0,0]=3 7 B13R2.135 O=CC1C(=O)CC2=CC=CC=C21 C07726 [0,0,0,1,0,0|2,0,1]=4 8 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 C20170 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 C06359 [0,0,0,0,0,1|0,0,1]=2 10 B10R1.17 CCCCC1=CC=CC=C1 C18150 [2,0,0,0,0,0|0,0,1]=3 11 B10R1.17 COCCC1=NC=CC=C1 C18396 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.17 O=COCC1=CC=CC=C1 C05613 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [2,0,0,0,0,0|0,0,0]=2 17 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.1 CCCCCC1=CC=C(O)C=C1 C14466 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.252 CC(=O)OCCC1=CC=CC=C1 C12303 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.34 C\N=C(/C)[C@H](O)C1=CC=CC=C1 C04351 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 C11224 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.43 C[NH+](C)C(=O)NC1=CC=CC=C1 C19077 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 C00166 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 C18747 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 C07527 [0,1,0,0,1,0|0,0,0]=2 34 B12R1.16 O=C(CCF)C1=CC=C(O)C=C1 C15075 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 C18090 [0,1,0,0,1,0|0,0,0]=2 36 B14R1.156 CCCOC(=O)\C=C\C1=CC=CC=C1 C06360 [0,1,0,0,0,1|0,0,1]=3 37 B14R1.5978 CC(C)OC(=O)NC1=CC(Cl)=CC=C1 C14506 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 C05598 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 C10938 [0,2,0,0,0,0|1,0,0]=3 40 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [1,0,0,1,0,0|1,0,0]=3 41 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [1,0,0,1,0,0|0,0,0]=2 43 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [1,0,0,1,0,0|1,0,0]=3 44 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,0,0,1,1,0|2,0,0]=4 45 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,0,0,0,1,0|1,0,1]=4 46 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [1,0,0,0,1,0|0,0,0]=2 47 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [1,0,0,0,1,0|1,0,1]=4 48 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,0,0,0,1,0|1,0,0]=3