0 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 4506AB [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 CC(C)OC(=O)C1=CN=CC=C1 U511 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,0,0,0,0,0|2,0,0]=3 3 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 CC(C)=NNC1=CC=CC=C1 8097AF [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 CC(C)\C=C\C1=NC=CC=C1 Y6439 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [1,0,0,0,0,0|2,0,1]=4 8 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 V6995 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.132 CC(C)OC(=O)C1=CN=C(Cl)C=C1 B239 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.352 CC(C)(C)\N=S(\Cl)C1=CC=CC=C1 6716AB [0,1,0,0,0,0|3,0,0]=4 11 B13R1.713 CN(C)\C=C(/C#N)C1=CC=CC=C1 6114AD [0,1,0,0,0,0|3,0,0]=4 12 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 3450AA [0,0,0,1,0,0|2,0,1]=4 13 B13R2.12159 CC1(C)C[C@H](N)C2=C1C=CC=C2 Z2031 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,0,0,0,1,0|2,0,1]=4 15 B11R1.36 CC(C)[C@@H](O)C1=CC=CC=C1 N106 [0,0,0,0,1,0|0,0,2]=3 16 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7885 [0,0,0,0,1,0|1,0,1]=3 17 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 9654AA [0,0,0,0,0,1|2,0,1]=4 18 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 8081AF [0,0,0,0,0,1|2,0,1]=4 19 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [2,0,0,0,0,0|2,0,0]=4 22 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 3084AJ [1,1,0,0,0,0|2,0,0]=4 23 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 7589AB [1,1,0,0,0,0|1,0,0]=3 24 B12R1.17 CCOC(=O)C1=NC=CC(Br)=N1 6637AA [1,1,0,0,0,0|2,0,0]=4 25 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 5553AC [1,1,0,0,0,0|2,0,0]=4 26 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 4658AA [1,1,0,0,0,0|2,0,0]=4 27 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 Y1218 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 B186 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.30 NCCNC(=O)C1=CC=CC=C1 0754AP [1,1,0,0,0,0|1,0,0]=3 30 B12R1.30 NCCNC(=O)C1=CC=NC=C1 5909AD [1,1,0,0,0,0|2,0,0]=4 31 B12R1.308 CCOC(=O)C1=CC=NC=C1C 8767AB [1,1,0,0,0,0|1,0,0]=3 32 B12R1.21 CC(C)COC1=CC=C(F)C=C1 Z1210 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 X6055 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 Z9880 [0,1,0,0,1,0|1,0,0]=3 35 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 2195AC [0,1,0,0,0,1|0,0,0]=2 36 B14R1.29 CCN\C(C)=C\C(=O)C1=CC=CC=C1 7999AJ [0,2,0,0,0,0|1,0,1]=4 37 B14R1.290 CC(C)(C#N)SC(=S)C1=CC=CC=C1 9532AF [0,2,0,0,0,0|0,2,0]=4 38 B14R1.2 CC(C)NC(=O)C1=CC=C(CBr)C=C1 Z2770 [0,2,0,0,0,0|1,0,0]=3 39 B14R1.685 CC1=C(Br)C=CC(C(=O)OC(C)C)=N1 Y3688 [0,2,0,0,0,0|1,0,0]=3 40 B14R1.4451 CC(C)(C)OC(=O)C1=C(N)C=CC=C1 9818AB [0,2,0,0,0,0|0,0,0]=2 41 B14R1.3335 C[Si](C)(C)OS(=O)(=O)C1=CC=CC=C1 9865AJ [0,2,0,0,0,0|1,1,0]=4 42 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [1,0,0,1,0,0|2,0,0]=4 43 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [1,0,0,1,0,0|1,0,1]=4 45 B14R2.7724 O=C1CC(O)C(O)C2=C1C=CC=C2 9063AB [0,1,0,1,0,0|2,0,0]=4 46 B14R2.7724 O=C1CC(O)C(O)C2=C1C=CC=C2 W1911 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.23 CC(N)C(=O)C1=CC=CS1 0930AC [0,0,0,0,2,0|2,0,0]=4 48 B12R1.32 CCNC(=S)NC1=CC=CC=C1 8961AD [1,0,0,0,0,1|1,1,0]=4