0 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,0,1,0,0,0|1,0,1]=3 1 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,0,1,0,0,0|1,0,1]=3 2 B14R1.60 CN(CCO)C(=O)Cc1ccccn1 WXVL_AN2670SA0032 [0,0,1,0,0,0|2,0,1]=4 3 B14R1.60 CN(CCO)C(=O)Cc1ccccn1 WXVL_AN2670SA0032 [0,0,1,0,0,0|2,0,1]=4 4 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 WXVL_AN2670SA0029 [0,0,1,0,0,0|2,0,1]=4 5 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 WXVL_AN2670SA0029 [0,0,1,0,0,0|2,0,1]=4 6 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 WXVL_AN2670SB00049 [0,0,1,0,0,0|2,0,1]=4 7 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 WXVL_AN2670SB00049 [0,0,1,0,0,0|2,0,1]=4 8 B14R1.60 CN(CCO)C(=O)Cc1ccncc1 WXVL_AN2670SA00106 [0,0,1,0,0,0|2,0,1]=4 9 B14R1.60 CN(CCO)C(=O)Cc1ccncc1 WXVL_AN2670SA00106 [0,0,1,0,0,0|2,0,1]=4 10 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB0053 [0,0,1,0,0,0|2,0,1]=4 11 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB0053 [0,0,1,0,0,0|2,0,1]=4 12 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB0081 [0,0,1,0,0,0|1,0,1]=3 13 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB0081 [0,0,1,0,0,0|1,0,1]=3 14 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [1,0,1,0,0,0|1,0,1]=4 15 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [1,0,1,0,0,0|1,0,1]=4 16 B13R1.152 CC(C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB2326 [1,0,1,0,0,0|1,0,1]=4 17 B13R1.152 CC(C(=O)N(C)C)c1ccccc1 WXVL_AN0032SB2326 [1,0,1,0,0,0|1,0,1]=4 18 B13R1.152 CN(C)C(=O)C(O)c1ccccc1 WXVL_AN0032SB0168 [1,0,1,0,0,0|1,0,1]=4 19 B13R1.152 CN(C)C(=O)C(O)c1ccccc1 WXVL_AN0032SB0168 [1,0,1,0,0,0|1,0,1]=4 20 B13R1.532 CCC(C(=O)NC)c1ccccc1 WXVL_AK00442SB0053 [1,0,1,0,0,0|1,0,1]=4 21 B13R1.532 CCC(C(=O)NC)c1ccccc1 WXVL_AK00442SB0053 [1,0,1,0,0,0|1,0,1]=4 22 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00442SB0081 [1,0,1,0,0,0|1,0,1]=4 23 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00442SB0081 [1,0,1,0,0,0|1,0,1]=4 24 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Br WXVL_AN2670SB0926 [0,1,1,0,0,0|1,0,1]=4 25 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Br WXVL_AN2670SB0926 [0,1,1,0,0,0|1,0,1]=4 26 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Cl WXVL_AN2670SB0107 [0,1,1,0,0,0|1,0,1]=4 27 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Cl WXVL_AN2670SB0107 [0,1,1,0,0,0|1,0,1]=4 28 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)F WXVL_AN2670SB0106 [0,1,1,0,0,0|1,0,1]=4 29 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)F WXVL_AN2670SB0106 [0,1,1,0,0,0|1,0,1]=4 30 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)O WXVL_AN2670SB0110 [0,1,1,0,0,0|1,0,1]=4 31 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)O WXVL_AN2670SB0110 [0,1,1,0,0,0|1,0,1]=4 32 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CCO WXVL_AN2670SB0112 [0,1,1,0,0,0|1,0,1]=4 33 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CCO WXVL_AN2670SB0112 [0,1,1,0,0,0|1,0,1]=4 34 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Br WXVL_AN2670SB0099 [0,1,1,0,0,0|1,0,1]=4 35 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Br WXVL_AN2670SB0099 [0,1,1,0,0,0|1,0,1]=4 36 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Cl WXVL_AN2670SB0101 [0,1,1,0,0,0|1,0,1]=4 37 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Cl WXVL_AN2670SB0101 [0,1,1,0,0,0|1,0,1]=4 38 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)F WXVL_AN2670SB0100 [0,1,1,0,0,0|1,0,1]=4 39 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)F WXVL_AN2670SB0100 [0,1,1,0,0,0|1,0,1]=4 40 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)O WXVL_AN2670SB0104 [0,1,1,0,0,0|1,0,1]=4 41 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)O WXVL_AN2670SB0104 [0,1,1,0,0,0|1,0,1]=4 42 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CCO WXVL_AN2670SB0105 [0,1,1,0,0,0|1,0,1]=4 43 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CCO WXVL_AN2670SB0105 [0,1,1,0,0,0|1,0,1]=4 44 B15R1.551 COCCN(C)C(=O)Cc1ccccc1 WXVL_AN0085SB0092 [0,1,1,0,0,0|1,0,1]=4 45 B15R1.551 COCCN(C)C(=O)Cc1ccccc1 WXVL_AN0085SB0092 [0,1,1,0,0,0|1,0,1]=4 46 B15R1.578 CC(C(=O)N(C)CCO)c1ccccc1 WXVL_AN2670SB2326 [0,1,1,0,0,0|1,0,1]=4 47 B15R1.578 CC(C(=O)N(C)CCO)c1ccccc1 WXVL_AN2670SB2326 [0,1,1,0,0,0|1,0,1]=4 48 B15R1.578 CN(CCO)C(=O)C(O)c1ccccc1 WXVL_AN2670SB0168 [0,1,1,0,0,0|1,0,1]=4 49 B15R1.578 CN(CCO)C(=O)C(O)c1ccccc1 WXVL_AN2670SB0168 [0,1,1,0,0,0|1,0,1]=4 50 B15R1.1289 CCN(CCO)C(=O)Cc1ccccc1 WXVL_AN3174SB0092 [0,1,1,0,0,0|1,0,1]=4 51 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Br WXVL_AN2670SB0093 [0,1,1,0,0,0|1,0,1]=4 52 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Br WXVL_AN2670SB0093 [0,1,1,0,0,0|1,0,1]=4 53 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Cl WXVL_AN2670SB0095 [0,1,1,0,0,0|1,0,1]=4 54 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Cl WXVL_AN2670SB0095 [0,1,1,0,0,0|1,0,1]=4 55 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1F WXVL_AN2670SB0094 [0,1,1,0,0,0|1,0,1]=4 56 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1F WXVL_AN2670SB0094 [0,1,1,0,0,0|1,0,1]=4 57 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1I WXVL_AN2670SB1145 [0,1,1,0,0,0|1,0,1]=4 58 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1I WXVL_AN2670SB1145 [0,1,1,0,0,0|1,0,1]=4 59 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1O WXVL_AN2670SB0400 [0,1,1,0,0,0|1,0,1]=4 60 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1O WXVL_AN2670SB0400 [0,1,1,0,0,0|1,0,1]=4 61 B15R1.3960 Cc1ccccc1CC(=O)N(C)CCO WXVL_AN2670SB0098 [0,1,1,0,0,0|1,0,1]=4 62 B15R1.3960 Cc1ccccc1CC(=O)N(C)CCO WXVL_AN2670SB0098 [0,1,1,0,0,0|1,0,1]=4 63 B15R1.10540 CN(CCO)S(=O)(=O)Cc1ccccc1 WXVL_AN2670HU0025 [0,1,1,0,0,0|2,0,0]=4 64 B15R1.10540 CN(CCO)S(=O)(=O)Cc1ccccc1 WXVL_AN2670HU0025 [0,1,1,0,0,0|2,0,0]=4 65 B15R1.502 CC(C)N(C)C(=O)C(O)c1ccccc1 WXVL_AN0073SB0168 [0,1,1,0,0,0|1,0,1]=4 66 B15R1.502 CC(C)N(C)C(=O)C(O)c1ccccc1 WXVL_AN0073SB0168 [0,1,1,0,0,0|1,0,1]=4 67 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,1,1,0,0,0|1,0,1]=4 68 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,1,1,0,0,0|1,0,1]=4 69 B15R2.596 O=C(Cc1ccccc1)N2CC(C2)O WXVL_AN0284SB0092 [0,0,1,1,0,0|1,0,1]=4 70 B15R2.596 O=C(Cc1ccccc1)N2CC(C2)O WXVL_AN0284SB0092 [0,0,1,1,0,0|1,0,1]=4 71 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 WXVL_AN2670SB0067 [0,0,1,0,0,1|1,0,1]=4 72 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 WXVL_AN2670SB0067 [0,0,1,0,0,1|1,0,1]=4 73 B15R1.826 CN(CCO)C(=O)COc1ccccc1 WXVL_AN2670SB0086 [0,0,1,0,0,1|1,0,1]=4 74 B15R1.826 CN(CCO)C(=O)COc1ccccc1 WXVL_AN2670SB0086 [0,0,1,0,0,1|1,0,1]=4 75 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 WXVL_AN2670SB0113 [0,0,1,0,0,1|1,0,1]=4 76 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 WXVL_AN2670SB0113 [0,0,1,0,0,1|1,0,1]=4 77 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,0,1,0,0,1|2,0,0]=4 78 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,0,1,0,0,1|2,0,0]=4