0 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [0,0,1,0,0,0|1,0,2]=4 1 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [0,0,1,0,0,0|1,0,2]=4 2 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [0,0,1,0,0,0|0,0,2]=3 3 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [0,0,1,0,0,0|0,0,2]=3 4 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,0,1,0,0,0|1,0,1]=3 5 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,0,1,0,0,0|1,0,1]=3 6 B13R1.11 CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00442YV0029 [0,0,1,0,0,0|2,0,1]=4 7 B13R1.11 CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00442YV0029 [0,0,1,0,0,0|2,0,1]=4 8 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00442YV0061 [0,0,1,0,0,0|2,0,1]=4 9 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00442YV0061 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [1,0,1,0,0,0|0,0,0]=2 11 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [1,0,1,0,0,0|0,0,0]=2 12 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [1,0,1,0,0,0|1,0,0]=3 13 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [1,0,1,0,0,0|1,0,0]=3 14 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [1,0,1,0,0,0|0,0,2]=4 17 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [1,0,1,0,0,0|0,0,2]=4 18 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,1,0,0,0|0,0,2]=4 19 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,1,0,0,0|0,0,2]=4 20 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,1,0,0,0|1,0,1]=4 23 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [1,0,1,0,0,0|0,0,2]=4 25 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [1,0,1,0,0,0|1,0,1]=4 31 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.75 C=Cc1ccccc1NC(=O)C WXVL_AG2145SB0150 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.75 C=Cc1ccccc1NC(=O)C WXVL_AG2145SB0150 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.75 CC(=O)Nc1ccccc1CO WXVL_AG0305SB0150 [1,0,1,0,0,0|0,0,2]=4 35 B12R1.75 CC(=O)Nc1ccccc1CO WXVL_AG0305SB0150 [1,0,1,0,0,0|0,0,2]=4 36 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,1,0,0,0|0,0,2]=4 37 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,1,0,0,0|0,0,2]=4 38 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,1,1,0,0,0|1,0,1]=4 39 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,1,1,0,0,0|1,0,1]=4 40 B14R1.415 CN(C)C(=O)CC(O)c1ccccc1 WXVL_AN0032SB2325 [0,1,1,0,0,0|0,0,2]=4 41 B14R1.415 CN(C)C(=O)CC(O)c1ccccc1 WXVL_AN0032SB2325 [0,1,1,0,0,0|0,0,2]=4 42 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [0,1,1,0,0,0|1,0,1]=4 43 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [0,1,1,0,0,0|1,0,1]=4 44 B14R1.36 C/C=C/C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB0340 [0,1,1,0,0,0|1,0,0]=3 45 B14R1.36 C/C=C/C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB0340 [0,1,1,0,0,0|1,0,0]=3 46 B14R1.36 C=CCC(=O)N(C)c1cccc(c1)N WXVL_AG3393SB2732 [0,1,1,0,0,0|1,0,1]=4 47 B14R1.36 C=CCC(=O)N(C)c1cccc(c1)N WXVL_AG3393SB2732 [0,1,1,0,0,0|1,0,1]=4 48 B14R1.3348 C/C=C/C(=O)N(C)c1ncccc1N WXVL_AF0164SB0340 [0,1,1,0,0,0|2,0,0]=4 49 B14R1.3348 C/C=C/C(=O)N(C)c1ncccc1N WXVL_AF0164SB0340 [0,1,1,0,0,0|2,0,0]=4 50 B16R2.23331 NC(=O)c1cc(c2ccccc2c1O)O WXVL_AK0084SE0079 [0,2,0,0,0,0|2,0,0]=4 51 B16R2.23331 NC(=O)c1cc(c2ccccc2c1O)O WXVL_AK0084SE0079 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT0919 [0,0,1,1,0,0|2,0,0]=4 53 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT1115 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT2957 [0,0,1,1,0,0|2,0,0]=4 55 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,0,1,0,0,1|0,0,2]=4 56 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,0,1,0,0,1|0,0,2]=4 57 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,0,1,0,0,1|0,0,2]=4 58 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,0,1,0,0,1|0,0,2]=4 59 B14R1.60 C/C=C/C(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0340 [0,0,1,0,0,1|1,0,0]=3 60 B14R1.60 C/C=C/C(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0340 [0,0,1,0,0,1|1,0,0]=3 61 B14R1.60 C/C=C/C(=O)N(C)Cc1ccccn1 WXVL_AN0108SB0340 [0,0,1,0,0,1|2,0,0]=4 62 B14R1.60 C/C=C/C(=O)N(C)Cc1ccccn1 WXVL_AN0108SB0340 [0,0,1,0,0,1|2,0,0]=4 63 B14R1.60 C/C=C/C(=O)N(C)Cc1cccnc1 WXVL_AN0060SB0340 [0,0,1,0,0,1|2,0,0]=4 64 B14R1.60 C/C=C/C(=O)N(C)Cc1cccnc1 WXVL_AN0060SB0340 [0,0,1,0,0,1|2,0,0]=4 65 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2732 [0,0,1,0,0,1|1,0,1]=4 66 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2732 [0,0,1,0,0,1|1,0,1]=4