0 B23R4.6141 c1ccc2[nH]c(nc2c1)Nc3ncnc4c3cccc4 WXVL_AF0204LP0257 [0,0,0,0,0,0|2,0,2]=4 1 B23R4.6141 c1ccc2[nH]c(nc2c1)Nc3ncnc4c3cccc4 WXVL_AF0204LP0257 [0,0,0,0,0,0|2,0,2]=4 2 B22R3.797 O=C(CC1OCCc2c1cccc2)Nc3ccccc3 WXVL_AG00183SBB763 [0,0,1,0,0,0|3,0,0]=4 3 B22R3.797 O=C(CC1OCCc2c1cccc2)Nc3ccccc3 WXVL_AG00183SBB763 [0,0,1,0,0,0|3,0,0]=4 4 B22R3.797 O=C(Cc1ccccc1)NC2COCc3c2cccc3 WXVL_AK3889SB0092 [0,0,1,0,0,0|3,0,0]=4 5 B22R3.797 O=C(Cc1ccccc1)NC2COCc3c2cccc3 WXVL_AK3889SB0092 [0,0,1,0,0,0|3,0,0]=4 6 B22R3.797 O=C(Cc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0092 [0,0,1,0,0,0|2,0,0]=3 7 B22R3.797 O=C(Cc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0092 [0,0,1,0,0,0|2,0,0]=3 8 B22R3.797 O=C(Cc1ccccn1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA0032 [0,0,1,0,0,0|3,0,0]=4 9 B22R3.797 O=C(Cc1ccccn1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA0032 [0,0,1,0,0,0|3,0,0]=4 10 B22R3.797 O=C(Cc1cccnc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA0029 [0,0,1,0,0,0|3,0,0]=4 11 B22R3.797 O=C(Cc1cccnc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA0029 [0,0,1,0,0,0|3,0,0]=4 12 B22R3.797 O=C(Cc1cccnc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB00049 [0,0,1,0,0,0|3,0,0]=4 13 B22R3.797 O=C(Cc1cccnc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB00049 [0,0,1,0,0,0|3,0,0]=4 14 B22R3.797 O=C(Cc1ccncc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA00106 [0,0,1,0,0,0|3,0,0]=4 15 B22R3.797 O=C(Cc1ccncc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SA00106 [0,0,1,0,0,0|3,0,0]=4 16 B22R3.797 O=C(Nc1ccccn1)NC2COCc3c2cccc3 WXVL_AK3889YV0189 [0,0,1,0,0,0|3,0,0]=4 17 B22R3.797 O=C(Nc1ccccn1)NC2COCc3c2cccc3 WXVL_AK3889YV0189 [0,0,1,0,0,0|3,0,0]=4 18 B22R3.797 O=C(Nc1ccccn1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0189 [0,0,1,0,0,0|2,0,0]=3 19 B22R3.797 O=C(Nc1ccccn1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0189 [0,0,1,0,0,0|2,0,0]=3 20 B22R3.3768459 CCc1ccccc1C(=O)Nc2cc3ccccc3[nH]2 WXVL_AF00292SD0112 [0,0,1,0,0,0|2,0,1]=4 21 B22R3.3768459 CCc1ccccc1C(=O)Nc2cc3ccccc3[nH]2 WXVL_AF00292SD0112 [0,0,1,0,0,0|2,0,1]=4 22 B22R3.3768459 CCc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0112 [0,0,1,0,0,0|1,0,1]=3 23 B22R3.3768459 CCc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0112 [0,0,1,0,0,0|1,0,1]=3 24 B22R3.3768459 CCc1ccccc1C(=O)Nc2nc3ccccc3s2 WXVL_AF0063SD0112 [0,0,1,0,0,0|2,0,1]=4 25 B22R3.3768459 CCc1ccccc1C(=O)Nc2nc3ccccc3s2 WXVL_AF0063SD0112 [0,0,1,0,0,0|2,0,1]=4 26 B22R3.3768459 CCc1ncccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SC1247 [0,0,1,0,0,0|2,0,1]=4 27 B22R3.3768459 CCc1ncccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SC1247 [0,0,1,0,0,0|2,0,1]=4 28 B22R3.3768459 COc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0016 [0,0,1,0,0,0|2,0,1]=4 29 B22R3.3768459 COc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0016 [0,0,1,0,0,0|2,0,1]=4 30 B22R3.3768459 CSc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0102 [0,0,1,0,0,0|2,0,1]=4 31 B22R3.3768459 CSc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0102 [0,0,1,0,0,0|2,0,1]=4 32 B22R3.3768459 O=C(Nc1nc2ccccc2[nH]1)c3ccccc3CO WXVL_AF0204SD1772 [0,0,1,0,0,0|2,0,1]=4 33 B22R3.3768459 O=C(Nc1nc2ccccc2[nH]1)c3ccccc3CO WXVL_AF0204SD1772 [0,0,1,0,0,0|2,0,1]=4 34 B24R4.6842361 c1ccc2c(c1)CCC[C@H]2Nc3ncc4ccccc4n3 WXVL_AK0134LP0064 [0,0,0,0,0,1|0,0,1]=2 35 B24R4.6842361 c1ccc2c(c1)CCC[C@H]2Nc3ncc4ccccc4n3 WXVL_AK0134LP0064 [0,0,0,0,0,1|0,0,1]=2 36 B24R4.6842361 c1ccc2c(c1)COCC2Nc3ncc4ccccc4n3 WXVL_AK3889LP0064 [0,0,0,0,0,1|1,0,1]=3 37 B24R4.6842361 c1ccc2c(c1)COCC2Nc3ncc4ccccc4n3 WXVL_AK3889LP0064 [0,0,0,0,0,1|1,0,1]=3 38 B21R3.3965166 Cc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0037 [1,0,1,0,0,0|1,0,1]=4 39 B21R3.3965166 Cc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0037 [1,0,1,0,0,0|1,0,1]=4 40 B23R3.1471 Cc1ccc(cc1)CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0112 [0,1,1,0,0,0|2,0,0]=4 41 B23R3.1471 Cc1ccc(cc1)CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0112 [0,1,1,0,0,0|2,0,0]=4 42 B23R3.1471 Cc1ccc(cc1)NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0026 [0,1,1,0,0,0|2,0,0]=4 43 B23R3.1471 Cc1ccc(cc1)NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0026 [0,1,1,0,0,0|2,0,0]=4 44 B23R3.1471 Cc1ccc(cc1)NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0026 [0,1,1,0,0,0|1,0,0]=3 45 B23R3.1471 Cc1ccc(cc1)NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0026 [0,1,1,0,0,0|1,0,0]=3 46 B23R3.1471 O=C(Cc1ccc(cc1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0926 [0,1,1,0,0,0|2,0,0]=4 47 B23R3.1471 O=C(Cc1ccc(cc1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0926 [0,1,1,0,0,0|2,0,0]=4 48 B23R3.1471 O=C(Cc1ccc(cc1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0107 [0,1,1,0,0,0|2,0,0]=4 49 B23R3.1471 O=C(Cc1ccc(cc1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0107 [0,1,1,0,0,0|2,0,0]=4 50 B23R3.1471 O=C(Cc1ccc(cc1)F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0106 [0,1,1,0,0,0|2,0,0]=4 51 B23R3.1471 O=C(Cc1ccc(cc1)F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0106 [0,1,1,0,0,0|2,0,0]=4 52 B23R3.1471 O=C(Cc1ccc(cc1)O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0110 [0,1,1,0,0,0|2,0,0]=4 53 B23R3.1471 O=C(Cc1ccc(cc1)O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0110 [0,1,1,0,0,0|2,0,0]=4 54 B23R3.1471 O=C(Nc1ccc(cc1)Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0023 [0,1,1,0,0,0|2,0,0]=4 55 B23R3.1471 O=C(Nc1ccc(cc1)Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0023 [0,1,1,0,0,0|2,0,0]=4 56 B23R3.1471 O=C(Nc1ccc(cc1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0023 [0,1,1,0,0,0|1,0,0]=3 57 B23R3.1471 O=C(Nc1ccc(cc1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0023 [0,1,1,0,0,0|1,0,0]=3 58 B23R3.17033 Cc1ccccc1CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0098 [0,1,1,0,0,0|2,0,0]=4 59 B23R3.17033 Cc1ccccc1CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0098 [0,1,1,0,0,0|2,0,0]=4 60 B23R3.17033 Cc1ccccc1NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0013 [0,1,1,0,0,0|2,0,0]=4 61 B23R3.17033 Cc1ccccc1NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0013 [0,1,1,0,0,0|2,0,0]=4 62 B23R3.17033 Cc1ccccc1NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0013 [0,1,1,0,0,0|1,0,0]=3 63 B23R3.17033 Cc1ccccc1NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0013 [0,1,1,0,0,0|1,0,0]=3 64 B23R3.17033 O=C(Cc1ccccc1Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0093 [0,1,1,0,0,0|2,0,0]=4 65 B23R3.17033 O=C(Cc1ccccc1Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0093 [0,1,1,0,0,0|2,0,0]=4 66 B23R3.17033 O=C(Cc1ccccc1Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0095 [0,1,1,0,0,0|2,0,0]=4 67 B23R3.17033 O=C(Cc1ccccc1Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0095 [0,1,1,0,0,0|2,0,0]=4 68 B23R3.17033 O=C(Cc1ccccc1F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0094 [0,1,1,0,0,0|2,0,0]=4 69 B23R3.17033 O=C(Cc1ccccc1F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0094 [0,1,1,0,0,0|2,0,0]=4 70 B23R3.17033 O=C(Cc1ccccc1I)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB1145 [0,1,1,0,0,0|2,0,0]=4 71 B23R3.17033 O=C(Cc1ccccc1I)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB1145 [0,1,1,0,0,0|2,0,0]=4 72 B23R3.17033 O=C(Cc1ccccc1O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0400 [0,1,1,0,0,0|2,0,0]=4 73 B23R3.17033 O=C(Cc1ccccc1O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0400 [0,1,1,0,0,0|2,0,0]=4 74 B23R3.17033 O=C(Nc1ccccc1Br)NC2COCc3c2cccc3 WXVL_AK3889YV0003 [0,1,1,0,0,0|2,0,0]=4 75 B23R3.17033 O=C(Nc1ccccc1Br)NC2COCc3c2cccc3 WXVL_AK3889YV0003 [0,1,1,0,0,0|2,0,0]=4 76 B23R3.17033 O=C(Nc1ccccc1Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0003 [0,1,1,0,0,0|1,0,0]=3 77 B23R3.17033 O=C(Nc1ccccc1Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0003 [0,1,1,0,0,0|1,0,0]=3 78 B23R3.17033 O=C(Nc1ccccc1Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0007 [0,1,1,0,0,0|2,0,0]=4 79 B23R3.17033 O=C(Nc1ccccc1Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0007 [0,1,1,0,0,0|2,0,0]=4 80 B23R3.17033 O=C(Nc1ccccc1Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0007 [0,1,1,0,0,0|1,0,0]=3 81 B23R3.17033 O=C(Nc1ccccc1Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0007 [0,1,1,0,0,0|1,0,0]=3 82 B23R3.17476 O=C(Cc1ccccc1)NC2CCCc3c2ccc(c3)Br WXVL_AK2862SB0092 [0,1,1,0,0,0|2,0,0]=4 83 B23R3.17476 O=C(Cc1ccccc1)NC2CCCc3c2ccc(c3)Br WXVL_AK2862SB0092 [0,1,1,0,0,0|2,0,0]=4 84 B23R3.17476 O=C(Nc1ccccn1)NC2CCCc3c2ccc(c3)Br WXVL_AK2862YV0189 [0,1,1,0,0,0|2,0,0]=4 85 B23R3.17476 O=C(Nc1ccccn1)NC2CCCc3c2ccc(c3)Br WXVL_AK2862YV0189 [0,1,1,0,0,0|2,0,0]=4 86 B23R3.44114 Cc1cccc(c1)CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0105 [0,1,1,0,0,0|2,0,0]=4 87 B23R3.44114 Cc1cccc(c1)CC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0105 [0,1,1,0,0,0|2,0,0]=4 88 B23R3.44114 Cc1cccc(c1)NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0020 [0,1,1,0,0,0|2,0,0]=4 89 B23R3.44114 Cc1cccc(c1)NC(=O)NC2COCc3c2cccc3 WXVL_AK3889YV0020 [0,1,1,0,0,0|2,0,0]=4 90 B23R3.44114 Cc1cccc(c1)NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0020 [0,1,1,0,0,0|1,0,0]=3 91 B23R3.44114 Cc1cccc(c1)NC(=O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0020 [0,1,1,0,0,0|1,0,0]=3 92 B23R3.44114 O=C(Cc1cccc(c1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0099 [0,1,1,0,0,0|2,0,0]=4 93 B23R3.44114 O=C(Cc1cccc(c1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0099 [0,1,1,0,0,0|2,0,0]=4 94 B23R3.44114 O=C(Cc1cccc(c1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0101 [0,1,1,0,0,0|2,0,0]=4 95 B23R3.44114 O=C(Cc1cccc(c1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0101 [0,1,1,0,0,0|2,0,0]=4 96 B23R3.44114 O=C(Cc1cccc(c1)F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0100 [0,1,1,0,0,0|2,0,0]=4 97 B23R3.44114 O=C(Cc1cccc(c1)F)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0100 [0,1,1,0,0,0|2,0,0]=4 98 B23R3.44114 O=C(Cc1cccc(c1)O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0104 [0,1,1,0,0,0|2,0,0]=4 99 B23R3.44114 O=C(Cc1cccc(c1)O)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0104 [0,1,1,0,0,0|2,0,0]=4 100 B23R3.44114 O=C(Nc1cccc(c1)Br)NC2COCc3c2cccc3 WXVL_AK3889YV0098 [0,1,1,0,0,0|2,0,0]=4 101 B23R3.44114 O=C(Nc1cccc(c1)Br)NC2COCc3c2cccc3 WXVL_AK3889YV0098 [0,1,1,0,0,0|2,0,0]=4 102 B23R3.44114 O=C(Nc1cccc(c1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0098 [0,1,1,0,0,0|1,0,0]=3 103 B23R3.44114 O=C(Nc1cccc(c1)Br)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0098 [0,1,1,0,0,0|1,0,0]=3 104 B23R3.44114 O=C(Nc1cccc(c1)Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0016 [0,1,1,0,0,0|2,0,0]=4 105 B23R3.44114 O=C(Nc1cccc(c1)Cl)NC2COCc3c2cccc3 WXVL_AK3889YV0016 [0,1,1,0,0,0|2,0,0]=4 106 B23R3.44114 O=C(Nc1cccc(c1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0016 [0,1,1,0,0,0|1,0,0]=3 107 B23R3.44114 O=C(Nc1cccc(c1)Cl)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134YV0016 [0,1,1,0,0,0|1,0,0]=3 108 B23R3.19474132 CC(C(=O)N[C@@H]1CCCc2c1cccc2)c3ccccc3 WXVL_AK0134SB2326 [0,1,1,0,0,0|2,0,0]=4 109 B23R3.19474132 CC(C(=O)N[C@@H]1CCCc2c1cccc2)c3ccccc3 WXVL_AK0134SB2326 [0,1,1,0,0,0|2,0,0]=4 110 B23R3.19474132 O=C(N[C@@H]1CCCc2c1cccc2)C(=O)c3ccccc3 WXVL_AK0134SB0050 [0,1,1,0,0,0|2,0,0]=4 111 B23R3.19474132 O=C(N[C@@H]1CCCc2c1cccc2)C(=O)c3ccccc3 WXVL_AK0134SB0050 [0,1,1,0,0,0|2,0,0]=4 112 B23R3.19474132 O=C(N[C@@H]1CCCc2c1cccc2)C(O)c3ccccc3 WXVL_AK0134SB0168 [0,1,1,0,0,0|2,0,0]=4 113 B23R3.19474132 O=C(N[C@@H]1CCCc2c1cccc2)C(O)c3ccccc3 WXVL_AK0134SB0168 [0,1,1,0,0,0|2,0,0]=4 114 B23R3.20129821 CCCc1ccccc1NC(=O)c2nc3ccccc3[nH]2 WXVL_AG1917SE0026 [0,1,1,0,0,0|2,0,0]=4 115 B23R3.20129821 CCCc1ccccc1NC(=O)c2nc3ccccc3[nH]2 WXVL_AG1917SE0026 [0,1,1,0,0,0|2,0,0]=4 116 B23R3.20144624 CCOc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0022 [0,1,1,0,0,0|1,0,1]=4 117 B23R3.20144624 CCOc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0022 [0,1,1,0,0,0|1,0,1]=4 118 B23R3.20144624 CCSc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0644 [0,1,1,0,0,0|1,0,1]=4 119 B23R3.20144624 CCSc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0644 [0,1,1,0,0,0|1,0,1]=4 120 B23R3.20144624 COCc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0699 [0,1,1,0,0,0|1,0,1]=4 121 B23R3.20144624 COCc1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD0699 [0,1,1,0,0,0|1,0,1]=4 122 B23R3.19444762 O=C(NCCCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK0074SE0026 [0,1,1,0,0,0|2,0,0]=4 123 B23R3.19444762 O=C(NCCCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK0074SE0026 [0,1,1,0,0,0|2,0,0]=4 124 B23R3.19445676 O=C(CCCc1ccccc1)Nc2cc3ccccc3[nH]2 WXVL_AF00292SB0121 [0,1,1,0,0,0|1,0,1]=4 125 B23R3.19445676 O=C(CCCc1ccccc1)Nc2cc3ccccc3[nH]2 WXVL_AF00292SB0121 [0,1,1,0,0,0|1,0,1]=4 126 B23R3.19445676 O=C(CCCc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0121 [0,1,1,0,0,0|0,0,1]=3 127 B23R3.19445676 O=C(CCCc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0121 [0,1,1,0,0,0|0,0,1]=3 128 B23R3.19445676 O=C(CCCc1ccccc1)Nc2nc3ccccc3s2 WXVL_AF0063SB0121 [0,1,1,0,0,0|1,0,1]=4 129 B23R3.19445676 O=C(CCCc1ccccc1)Nc2nc3ccccc3s2 WXVL_AF0063SB0121 [0,1,1,0,0,0|1,0,1]=4 130 B23R3.19445676 O=C(CCOc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0066 [0,1,1,0,0,0|1,0,1]=4 131 B23R3.19445676 O=C(CCOc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0066 [0,1,1,0,0,0|1,0,1]=4 132 B23R3.19445676 O=C(COCc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0185 [0,1,1,0,0,0|1,0,1]=4 133 B23R3.19445676 O=C(COCc1ccccc1)Nc2nc3ccccc3[nH]2 WXVL_AF0204SB0185 [0,1,1,0,0,0|1,0,1]=4 134 B23R3.1506334 CCc1ccccc1C(=O)Nc2nc3ccccc3n2C WXVL_AF0191SD0112 [0,1,1,0,0,0|1,0,1]=4 135 B23R3.1506334 CCc1ccccc1C(=O)Nc2nc3ccccc3n2C WXVL_AF0191SD0112 [0,1,1,0,0,0|1,0,1]=4 136 B23R3.1979862 CCc1ccc(cc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD00158 [0,1,1,0,0,0|1,0,1]=4 137 B23R3.1979862 CCc1ccc(cc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD00158 [0,1,1,0,0,0|1,0,1]=4 138 B23R3.2000612 CCc1cc(ccc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD1215 [0,1,1,0,0,0|1,0,1]=4 139 B23R3.2000612 CCc1cc(ccc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD1215 [0,1,1,0,0,0|1,0,1]=4 140 B23R3.2054057 CCc1ccccc1C(=O)Nc2nc3ccc(cc3[nH]2)C WXVL_AF0282SD0112 [0,1,1,0,0,0|1,0,1]=4 141 B23R3.2054057 CCc1ccccc1C(=O)Nc2nc3ccc(cc3[nH]2)C WXVL_AF0282SD0112 [0,1,1,0,0,0|1,0,1]=4 142 B23R3.2054057 CCc1ccccc1C(=O)Nc2nc3ccc(cc3[nH]2)Cl WXVL_AF00010SD0112 [0,1,1,0,0,0|1,0,1]=4 143 B23R3.2054057 CCc1ccccc1C(=O)Nc2nc3ccc(cc3[nH]2)Cl WXVL_AF00010SD0112 [0,1,1,0,0,0|1,0,1]=4 144 B23R3.2105094 CCc1c(cccc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD1306 [0,1,1,0,0,0|1,0,1]=4 145 B23R3.2105094 CCc1c(cccc1C(=O)Nc2nc3ccccc3[nH]2)Br WXVL_AF0204SD1306 [0,1,1,0,0,0|1,0,1]=4 146 B23R3.19359834 CC(C)c1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD1020 [0,1,1,0,0,0|1,0,1]=4 147 B23R3.19359834 CC(C)c1ccccc1C(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204SD1020 [0,1,1,0,0,0|1,0,1]=4 148 B25R4.4917548 O=C(Nc1cc2ccccc2[nH]1)[C@H]3CCCc4c3cccc4 WXVL_AF00292SB4181 [0,1,0,0,0,1|1,0,0]=3 149 B25R4.4917548 O=C(Nc1cc2ccccc2[nH]1)[C@H]3CCCc4c3cccc4 WXVL_AF00292SB4181 [0,1,0,0,0,1|1,0,0]=3 150 B25R4.4917548 O=C(Nc1cc2ccccc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF0734SB4181 [0,1,0,0,0,1|2,0,0]=4 151 B25R4.4917548 O=C(Nc1cc2ccccc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF0734SB4181 [0,1,0,0,0,1|2,0,0]=4 152 B25R4.4917548 O=C(Nc1cc2ccccn2n1)[C@H]3CCCc4c3cccc4 WXVL_AF2150SB4181 [0,1,0,0,0,1|2,0,0]=4 153 B25R4.4917548 O=C(Nc1cc2ccccn2n1)[C@H]3CCCc4c3cccc4 WXVL_AF2150SB4181 [0,1,0,0,0,1|2,0,0]=4 154 B25R4.4917548 O=C(Nc1cn2ccccc2n1)[C@H]3CCCc4c3cccc4 WXVL_AF1811SB4181 [0,1,0,0,0,1|2,0,0]=4 155 B25R4.4917548 O=C(Nc1cn2ccccc2n1)[C@H]3CCCc4c3cccc4 WXVL_AF1811SB4181 [0,1,0,0,0,1|2,0,0]=4 156 B25R4.4917548 O=C(Nc1nc2ccccc2[nH]1)[C@H]3CCCc4c3cccc4 WXVL_AF0204SB4181 [0,1,0,0,0,1|0,0,0]=2 157 B25R4.4917548 O=C(Nc1nc2ccccc2[nH]1)[C@H]3CCCc4c3cccc4 WXVL_AF0204SB4181 [0,1,0,0,0,1|0,0,0]=2 158 B25R4.4917548 O=C(Nc1nc2ccccc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF0063SB4181 [0,1,0,0,0,1|1,0,0]=3 159 B25R4.4917548 O=C(Nc1nc2ccccc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF0063SB4181 [0,1,0,0,0,1|1,0,0]=3 160 B25R4.4917548 O=C(Nc1nc2cccnc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF2700SB4181 [0,1,0,0,0,1|2,0,0]=4 161 B25R4.4917548 O=C(Nc1nc2cccnc2s1)[C@H]3CCCc4c3cccc4 WXVL_AF2700SB4181 [0,1,0,0,0,1|2,0,0]=4 162 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3cc4ccccc4[nH]3 WXVL_AK3889SE0001 [0,1,0,0,0,1|2,0,0]=4 163 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3cc4ccccc4[nH]3 WXVL_AK3889SE0001 [0,1,0,0,0,1|2,0,0]=4 164 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK3889SE0026 [0,1,0,0,0,1|1,0,0]=3 165 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK3889SE0026 [0,1,0,0,0,1|1,0,0]=3 166 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK3889SE0704 [0,1,0,0,0,1|2,0,0]=4 167 B25R4.441814131 O=C(NC1COCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK3889SE0704 [0,1,0,0,0,1|2,0,0]=4 168 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4[nH]3 WXVL_AK0134SE0001 [0,1,0,0,0,1|1,0,0]=3 169 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4[nH]3 WXVL_AK0134SE0001 [0,1,0,0,0,1|1,0,0]=3 170 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4o3 WXVL_AK0134SE0105 [0,1,0,0,0,1|2,0,0]=4 171 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4o3 WXVL_AK0134SE0105 [0,1,0,0,0,1|2,0,0]=4 172 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4s3 WXVL_AK0134SE0107 [0,1,0,0,0,1|2,0,0]=4 173 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccc4s3 WXVL_AK0134SE0107 [0,1,0,0,0,1|2,0,0]=4 174 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccn4n3 WXVL_AK0134SE0030 [0,1,0,0,0,1|2,0,0]=4 175 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ccccn4n3 WXVL_AK0134SE0030 [0,1,0,0,0,1|2,0,0]=4 176 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4cccnc4[nH]3 WXVL_AK0134SE0450 [0,1,0,0,0,1|2,0,0]=4 177 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4cccnc4[nH]3 WXVL_AK0134SE0450 [0,1,0,0,0,1|2,0,0]=4 178 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4cnccc4[nH]3 WXVL_AK0134SE0511 [0,1,0,0,0,1|2,0,0]=4 179 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4cnccc4[nH]3 WXVL_AK0134SE0511 [0,1,0,0,0,1|2,0,0]=4 180 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ncccc4[nH]3 WXVL_AK0134SE0680 [0,1,0,0,0,1|2,0,0]=4 181 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3cc4ncccc4[nH]3 WXVL_AK0134SE0680 [0,1,0,0,0,1|2,0,0]=4 182 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK0134SE0026 [0,1,0,0,0,1|0,0,0]=2 183 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK0134SE0026 [0,1,0,0,0,1|0,0,0]=2 184 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK0134SE0704 [0,1,0,0,0,1|1,0,0]=3 185 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK0134SE0704 [0,1,0,0,0,1|1,0,0]=3 186 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccn4n3 WXVL_AK0134SC00085 [0,1,0,0,0,1|1,0,1]=4 187 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccn4n3 WXVL_AK0134SC00085 [0,1,0,0,0,1|1,0,1]=4 188 B25R4.2308916 Brc1ccc2cnc(nc2c1)NC3COCc4c3cccc4 WXVL_AK3889LQ2121 [0,1,0,0,0,1|1,0,1]=4 189 B25R4.2308916 Brc1ccc2cnc(nc2c1)NC3COCc4c3cccc4 WXVL_AK3889LQ2121 [0,1,0,0,0,1|1,0,1]=4 190 B25R4.2308916 Brc1ccc2cnc(nc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2121 [0,1,0,0,0,1|0,0,1]=3 191 B25R4.2308916 Brc1ccc2cnc(nc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2121 [0,1,0,0,0,1|0,0,1]=3 192 B25R4.2308916 Fc1ccc2cnc(nc2c1)NC3COCc4c3cccc4 WXVL_AK3889LP0362 [0,1,0,0,0,1|1,0,1]=4 193 B25R4.2308916 Fc1ccc2cnc(nc2c1)NC3COCc4c3cccc4 WXVL_AK3889LP0362 [0,1,0,0,0,1|1,0,1]=4 194 B25R4.2308916 Fc1ccc2cnc(nc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP0362 [0,1,0,0,0,1|0,0,1]=3 195 B25R4.2308916 Fc1ccc2cnc(nc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP0362 [0,1,0,0,0,1|0,0,1]=3 196 B25R4.2393613 Brc1ccc2c(c1)CCCC2Nc3ncc4ccccc4n3 WXVL_AK2862LP0064 [0,1,0,0,0,1|0,0,1]=3 197 B25R4.2393613 Brc1ccc2c(c1)CCCC2Nc3ncc4ccccc4n3 WXVL_AK2862LP0064 [0,1,0,0,0,1|0,0,1]=3 198 B25R4.2393613 Fc1ccc2c(c1)OCCC2Nc3ncc4ccccc4n3 WXVL_AK3862LP0064 [0,1,0,0,0,1|1,0,1]=4 199 B25R4.2393613 Fc1ccc2c(c1)OCCC2Nc3ncc4ccccc4n3 WXVL_AK3862LP0064 [0,1,0,0,0,1|1,0,1]=4 200 B25R4.4032627 Brc1cccc2c1cnc(n2)NC3COCc4c3cccc4 WXVL_AK3889LQ2850 [0,1,0,0,0,1|1,0,1]=4 201 B25R4.4032627 Brc1cccc2c1cnc(n2)NC3COCc4c3cccc4 WXVL_AK3889LQ2850 [0,1,0,0,0,1|1,0,1]=4 202 B25R4.4032627 Brc1cccc2c1cnc(n2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2850 [0,1,0,0,0,1|0,0,1]=3 203 B25R4.4032627 Brc1cccc2c1cnc(n2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2850 [0,1,0,0,0,1|0,0,1]=3 204 B25R4.4032627 Clc1cccc2c1cnc(n2)NC3COCc4c3cccc4 WXVL_AK3889LP1410 [0,1,0,0,0,1|1,0,1]=4 205 B25R4.4032627 Clc1cccc2c1cnc(n2)NC3COCc4c3cccc4 WXVL_AK3889LP1410 [0,1,0,0,0,1|1,0,1]=4 206 B25R4.4032627 Clc1cccc2c1cnc(n2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP1410 [0,1,0,0,0,1|0,0,1]=3 207 B25R4.4032627 Clc1cccc2c1cnc(n2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP1410 [0,1,0,0,0,1|0,0,1]=3 208 B25R4.4345885 Cc1nc(nc2c1cccc2)NC3COCc4c3cccc4 WXVL_AK3889LP0957 [0,1,0,0,0,1|1,0,1]=4 209 B25R4.4345885 Cc1nc(nc2c1cccc2)NC3COCc4c3cccc4 WXVL_AK3889LP0957 [0,1,0,0,0,1|1,0,1]=4 210 B25R4.4345885 Cc1nc(nc2c1cccc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP0957 [0,1,0,0,0,1|0,0,1]=3 211 B25R4.4345885 Cc1nc(nc2c1cccc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP0957 [0,1,0,0,0,1|0,0,1]=3 212 B25R4.18688465 Brc1ccc2nc(ncc2c1)NC3COCc4c3cccc4 WXVL_AK3889LQ2208 [0,1,0,0,0,1|1,0,1]=4 213 B25R4.18688465 Brc1ccc2nc(ncc2c1)NC3COCc4c3cccc4 WXVL_AK3889LQ2208 [0,1,0,0,0,1|1,0,1]=4 214 B25R4.18688465 Brc1ccc2nc(ncc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2208 [0,1,0,0,0,1|0,0,1]=3 215 B25R4.18688465 Brc1ccc2nc(ncc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ2208 [0,1,0,0,0,1|0,0,1]=3 216 B25R4.18688465 Brc1cnc2nc(ncc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP3368 [0,1,0,0,0,1|1,0,1]=4 217 B25R4.18688465 Brc1cnc2nc(ncc2c1)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP3368 [0,1,0,0,0,1|1,0,1]=4 218 B25R4.18943444 Brc1ccc2c(c1)C(CCO2)Nc3ncc4ccccc4n3 WXVL_AK0605LP0064 [0,1,0,0,0,1|1,0,1]=4 219 B25R4.18943444 Brc1ccc2c(c1)C(CCO2)Nc3ncc4ccccc4n3 WXVL_AK0605LP0064 [0,1,0,0,0,1|1,0,1]=4 220 B25R4.18943444 Clc1ccc2c(c1)C(CCO2)Nc3ncc4ccccc4n3 WXVL_AK6552LP0064 [0,1,0,0,0,1|1,0,1]=4 221 B25R4.18943444 Clc1ccc2c(c1)C(CCO2)Nc3ncc4ccccc4n3 WXVL_AK6552LP0064 [0,1,0,0,0,1|1,0,1]=4 222 B25R4.43328204 Brc1cccc2c1nc(nc2)NC3COCc4c3cccc4 WXVL_AK3889LQ1447 [0,1,0,0,0,1|1,0,1]=4 223 B25R4.43328204 Brc1cccc2c1nc(nc2)NC3COCc4c3cccc4 WXVL_AK3889LQ1447 [0,1,0,0,0,1|1,0,1]=4 224 B25R4.43328204 Brc1cccc2c1nc(nc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ1447 [0,1,0,0,0,1|0,0,1]=3 225 B25R4.43328204 Brc1cccc2c1nc(nc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LQ1447 [0,1,0,0,0,1|0,0,1]=3 226 B25R4.43328204 Oc1cccc2c1nc(nc2)NC3COCc4c3cccc4 WXVL_AK3889LP3367 [0,1,0,0,0,1|1,0,1]=4 227 B25R4.43328204 Oc1cccc2c1nc(nc2)NC3COCc4c3cccc4 WXVL_AK3889LP3367 [0,1,0,0,0,1|1,0,1]=4 228 B25R4.43328204 Oc1cccc2c1nc(nc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP3367 [0,1,0,0,0,1|0,0,1]=3 229 B25R4.43328204 Oc1cccc2c1nc(nc2)N[C@@H]3CCCc4c3cccc4 WXVL_AK0134LP3367 [0,1,0,0,0,1|0,0,1]=3 230 B25R4.6384223 O=C(c1nc2ccccc2[nH]1)N3CCCc4ccccc4C3 WXVL_AN2963SE0026 [0,1,0,0,0,1|2,0,0]=4 231 B25R4.6384223 O=C(c1nc2ccccc2[nH]1)N3CCCc4ccccc4C3 WXVL_AN2963SE0026 [0,1,0,0,0,1|2,0,0]=4 232 B21R2.13144 O=C(Cc1ccccc1)NCCCCc2ccccc2 WXVL_AK00516SB0092 [0,0,2,0,0,0|2,0,0]=4 233 B21R2.13144 O=C(Cc1ccccc1)NCCCCc2ccccc2 WXVL_AK00516SB0092 [0,0,2,0,0,0|2,0,0]=4 234 B21R2.13144 O=C(NCCCCc1ccccc1)Nc2ccccn2 WXVL_AK00516YV0189 [0,0,2,0,0,0|2,0,0]=4 235 B21R2.13144 O=C(NCCCCc1ccccc1)Nc2ccccn2 WXVL_AK00516YV0189 [0,0,2,0,0,0|2,0,0]=4 236 B21R2.14798 CCC[C@@H](NC(=O)Cc1ccccc1)c2ccccc2 WXVL_AK5856SB0092 [0,0,2,0,0,0|2,0,0]=4 237 B21R2.14798 CCC[C@@H](NC(=O)Cc1ccccc1)c2ccccc2 WXVL_AK5856SB0092 [0,0,2,0,0,0|2,0,0]=4 238 B21R2.14798 CCC[C@@H](NC(=O)Nc1ccccn1)c2ccccc2 WXVL_AK5856YV0189 [0,0,2,0,0,0|2,0,0]=4 239 B21R2.14798 CCC[C@@H](NC(=O)Nc1ccccn1)c2ccccc2 WXVL_AK5856YV0189 [0,0,2,0,0,0|2,0,0]=4 240 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4[nH]ccc4n3 WXVL_AK0134LP0228 [0,0,1,1,0,0|1,0,1]=4 241 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4[nH]ccc4n3 WXVL_AK0134LP0228 [0,0,1,1,0,0|1,0,1]=4 242 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4ccsc4n3 WXVL_AK0134LP0600 [0,0,1,1,0,0|1,0,1]=4 243 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4ccsc4n3 WXVL_AK0134LP0600 [0,0,1,1,0,0|1,0,1]=4 244 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4sccc4n3 WXVL_AK0134LP0123 [0,0,1,1,0,0|1,0,1]=4 245 B23R4.6142 c1ccc2c(c1)CCC[C@H]2Nc3ncc4sccc4n3 WXVL_AK0134LP0123 [0,0,1,1,0,0|1,0,1]=4 246 B21R3.24493 O=C(Nc1ccccc1)[C@H]2CCCc3c2cccc3 WXVL_AG00183SB4181 [0,0,1,0,1,0|1,0,0]=3 247 B21R3.24493 O=C(Nc1ccccc1)[C@H]2CCCc3c2cccc3 WXVL_AG00183SB4181 [0,0,1,0,1,0|1,0,0]=3 248 B21R3.24493 O=C(Nc1ccccn1)[C@H]2CCCc3c2cccc3 WXVL_AF00298SB4181 [0,0,1,0,1,0|2,0,0]=4 249 B21R3.24493 O=C(Nc1ccccn1)[C@H]2CCCc3c2cccc3 WXVL_AF00298SB4181 [0,0,1,0,1,0|2,0,0]=4 250 B21R3.24497 O=C(Cc1ccccc1)NC2CCc3c2cccc3 WXVL_AK1156SB0092 [0,0,1,0,1,0|2,0,0]=4 251 B21R3.24497 O=C(Cc1ccccc1)NC2CCc3c2cccc3 WXVL_AK1156SB0092 [0,0,1,0,1,0|2,0,0]=4 252 B21R3.24497 O=C(Cc1ccccc1)N[C@H]2CCc3c2cccc3 WXVL_AK00474SB0092 [0,0,1,0,1,0|2,0,0]=4 253 B21R3.24497 O=C(Cc1ccccc1)N[C@H]2CCc3c2cccc3 WXVL_AK00474SB0092 [0,0,1,0,1,0|2,0,0]=4 254 B21R3.24497 O=C(Nc1ccccn1)NC2CCc3c2cccc3 WXVL_AK1156YV0189 [0,0,1,0,1,0|2,0,0]=4 255 B21R3.24497 O=C(Nc1ccccn1)NC2CCc3c2cccc3 WXVL_AK1156YV0189 [0,0,1,0,1,0|2,0,0]=4 256 B21R3.24497 O=C(Nc1ccccn1)N[C@H]2CCc3c2cccc3 WXVL_AK00474YV0189 [0,0,1,0,1,0|2,0,0]=4 257 B21R3.24497 O=C(Nc1ccccn1)N[C@H]2CCc3c2cccc3 WXVL_AK00474YV0189 [0,0,1,0,1,0|2,0,0]=4 258 B21R3.521193 O=C(NC1COCc2c1cccc2)c3ccccc3 WXVL_AK3889SD0001 [0,0,1,0,1,0|2,0,0]=4 259 B21R3.521193 O=C(NC1COCc2c1cccc2)c3ccccc3 WXVL_AK3889SD0001 [0,0,1,0,1,0|2,0,0]=4 260 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccccc3 WXVL_AK0134SD0001 [0,0,1,0,1,0|1,0,0]=3 261 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccccc3 WXVL_AK0134SD0001 [0,0,1,0,1,0|1,0,0]=3 262 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccccn3 WXVL_AK0134SC0058 [0,0,1,0,1,0|2,0,0]=4 263 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccccn3 WXVL_AK0134SC0058 [0,0,1,0,1,0|2,0,0]=4 264 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3cccnc3 WXVL_AK0134SC0061 [0,0,1,0,1,0|2,0,0]=4 265 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3cccnc3 WXVL_AK0134SC0061 [0,0,1,0,1,0|2,0,0]=4 266 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccncc3 WXVL_AK0134SC0062 [0,0,1,0,1,0|2,0,0]=4 267 B21R3.521193 O=C(N[C@@H]1CCCc2c1cccc2)c3ccncc3 WXVL_AK0134SC0062 [0,0,1,0,1,0|2,0,0]=4 268 B23R3.3783 O=C(/C=C/c1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0115 [0,0,1,0,0,1|2,0,0]=4 269 B23R3.3783 O=C(/C=C/c1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0115 [0,0,1,0,0,1|2,0,0]=4 270 B23R3.3783 O=C(C#Cc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0114 [0,0,1,0,0,1|2,0,0]=4 271 B23R3.3783 O=C(C#Cc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0114 [0,0,1,0,0,1|2,0,0]=4 272 B23R3.3783 O=C(CCc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0067 [0,0,1,0,0,1|2,0,0]=4 273 B23R3.3783 O=C(CCc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0067 [0,0,1,0,0,1|2,0,0]=4 274 B23R3.3783 O=C(COc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0086 [0,0,1,0,0,1|2,0,0]=4 275 B23R3.3783 O=C(COc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0086 [0,0,1,0,0,1|2,0,0]=4 276 B23R3.3783 O=C(CSc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0113 [0,0,1,0,0,1|2,0,0]=4 277 B23R3.3783 O=C(CSc1ccccc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134SB0113 [0,0,1,0,0,1|2,0,0]=4 278 B23R3.938629 O=C(Cc1ccccc1)NCC2CCCc3c2cccc3 WXVL_AK5906SB0092 [0,0,1,0,0,1|2,0,0]=4 279 B23R3.938629 O=C(Cc1ccccc1)NCC2CCCc3c2cccc3 WXVL_AK5906SB0092 [0,0,1,0,0,1|2,0,0]=4 280 B23R3.938629 O=C(NCC1CCCc2c1cccc2)Nc3ccccn3 WXVL_AK5906YV0189 [0,0,1,0,0,1|2,0,0]=4 281 B23R3.938629 O=C(NCC1CCCc2c1cccc2)Nc3ccccn3 WXVL_AK5906YV0189 [0,0,1,0,0,1|2,0,0]=4 282 B23R3.91353 CCC[C@@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK5856LP0064 [0,0,1,0,0,1|0,0,1]=3 283 B23R3.91353 CCC[C@@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK5856LP0064 [0,0,1,0,0,1|0,0,1]=3 284 B23R3.91353 COC[C@@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK7470LP0064 [0,0,1,0,0,1|1,0,1]=4 285 B23R3.91353 COC[C@@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK7470LP0064 [0,0,1,0,0,1|1,0,1]=4 286 B23R3.91353 COC[C@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK4386LP0064 [0,0,1,0,0,1|1,0,1]=4 287 B23R3.91353 COC[C@H](Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK4386LP0064 [0,0,1,0,0,1|1,0,1]=4 288 B23R3.91353 OCCC(Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK0797LP0064 [0,0,1,0,0,1|1,0,1]=4 289 B23R3.91353 OCCC(Nc1ncc2ccccc2n1)c3ccccc3 WXVL_AK0797LP0064 [0,0,1,0,0,1|1,0,1]=4 290 B23R3.446355 CCOc1ccccc1CNc2ncc3ccccc3n2 WXVL_AK9632LP0064 [0,0,1,0,0,1|1,0,1]=4 291 B23R3.446355 CCOc1ccccc1CNc2ncc3ccccc3n2 WXVL_AK9632LP0064 [0,0,1,0,0,1|1,0,1]=4 292 B23R3.1028838 CCC(Nc1ncc2ccccc2n1)c3ccccc3F WXVL_AK00384LP0064 [0,0,1,0,0,1|1,0,1]=4 293 B23R3.1028838 CCC(Nc1ncc2ccccc2n1)c3ccccc3F WXVL_AK00384LP0064 [0,0,1,0,0,1|1,0,1]=4 294 B23R3.1028838 CC[C@H](Nc1ncc2ccccc2n1)c3ccccc3Cl WXVL_AK00171LP0064 [0,0,1,0,0,1|1,0,1]=4 295 B23R3.1028838 CC[C@H](Nc1ncc2ccccc2n1)c3ccccc3Cl WXVL_AK00171LP0064 [0,0,1,0,0,1|1,0,1]=4 296 B23R3.1974307 c1ccc(cc1)CCCCNc2ncc3ccccc3n2 WXVL_AK00516LP0064 [0,0,1,0,0,1|0,0,1]=3 297 B23R3.1974307 c1ccc(cc1)CCCCNc2ncc3ccccc3n2 WXVL_AK00516LP0064 [0,0,1,0,0,1|0,0,1]=3 298 B23R3.1974307 c1ccc(cc1)COCCNc2ncc3ccccc3n2 WXVL_AK1105LP0064 [0,0,1,0,0,1|1,0,1]=4 299 B23R3.1974307 c1ccc(cc1)COCCNc2ncc3ccccc3n2 WXVL_AK1105LP0064 [0,0,1,0,0,1|1,0,1]=4 300 B23R3.1974307 c1ccc(cc1)OCCCNc2ncc3ccccc3n2 WXVL_AK2366LP0064 [0,0,1,0,0,1|1,0,1]=4 301 B23R3.1974307 c1ccc(cc1)OCCCNc2ncc3ccccc3n2 WXVL_AK2366LP0064 [0,0,1,0,0,1|1,0,1]=4 302 B23R3.2054088 COc1ccccc1[C@@H](C)Nc2ncc3ccccc3n2 WXVL_AK3559LP0064 [0,0,1,0,0,1|1,0,1]=4 303 B23R3.2054088 COc1ccccc1[C@@H](C)Nc2ncc3ccccc3n2 WXVL_AK3559LP0064 [0,0,1,0,0,1|1,0,1]=4 304 B23R3.5144230 CCc1ccccc1NC(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204YV0101 [0,0,1,0,0,1|1,0,1]=4 305 B23R3.5144230 CCc1ccccc1NC(=O)Nc2nc3ccccc3[nH]2 WXVL_AF0204YV0101 [0,0,1,0,0,1|1,0,1]=4 306 B23R3.27290673 CCc1ccccc1C(=O)NCc2nc3ccccc3[nH]2 WXVL_AK00465SD0112 [0,0,1,0,0,1|1,0,1]=4 307 B23R3.27290673 CCc1ccccc1C(=O)NCc2nc3ccccc3[nH]2 WXVL_AK00465SD0112 [0,0,1,0,0,1|1,0,1]=4 308 B23R4.1529622 c1ccc2c(c1)CCC2Nc3ncc4ccccc4n3 WXVL_AK1156LP0064 [0,0,0,0,1,1|0,0,1]=3 309 B23R4.1529622 c1ccc2c(c1)CCC2Nc3ncc4ccccc4n3 WXVL_AK1156LP0064 [0,0,0,0,1,1|0,0,1]=3 310 B23R4.1529622 c1ccc2c(c1)CC[C@@H]2Nc3ncc4ccccc4n3 WXVL_AK00474LP0064 [0,0,0,0,1,1|0,0,1]=3 311 B23R4.1529622 c1ccc2c(c1)CC[C@@H]2Nc3ncc4ccccc4n3 WXVL_AK00474LP0064 [0,0,0,0,1,1|0,0,1]=3 312 B23R4.1529622 c1ccc2c(c1)OCC2Nc3ncc4ccccc4n3 WXVL_AK2368LP0064 [0,0,0,0,1,1|1,0,1]=4 313 B23R4.1529622 c1ccc2c(c1)OCC2Nc3ncc4ccccc4n3 WXVL_AK2368LP0064 [0,0,0,0,1,1|1,0,1]=4 314 B23R4.1529622 c1cnc2c(c1)CCC2Nc3ncc4ccccc4n3 WXVL_AK2236LP0064 [0,0,0,0,1,1|1,0,1]=4 315 B23R4.1529622 c1cnc2c(c1)CCC2Nc3ncc4ccccc4n3 WXVL_AK2236LP0064 [0,0,0,0,1,1|1,0,1]=4 316 B25R4.6453975 c1ccc2c(c1)CCCC2CNc3ncc4ccccc4n3 WXVL_AK5906LP0064 [0,0,0,0,0,2|0,0,1]=3 317 B25R4.6453975 c1ccc2c(c1)CCCC2CNc3ncc4ccccc4n3 WXVL_AK5906LP0064 [0,0,0,0,0,2|0,0,1]=3