0 B23R4.6141 c1ccc2c(c1)C(CCC2)Sc3nn4c(n3)nccc4 Amb11151763 [0,0,0,0,0,0|3,0,1]=4 1 B23R4.6141 c1ccc2c(c1)N(CCC2)Cc3nc4c(o3)cccc4 Amb1156105 [0,0,0,0,0,0|3,0,0]=3 2 B23R4.6141 c1ccc2c(c1)N(CCS2)Cc3nc4c(o3)cccc4 Amb13962515 [0,0,0,0,0,0|4,0,0]=4 3 B23R4.6141 c1ccc2c(c1)N(CCS2)Cc3nc4c(s3)cccc4 Amb10670842 [0,0,0,0,0,0|4,0,0]=4 4 B23R4.6141 c1ccc2c(c1)c(ccc2)Nc3nc4c([nH]3)cccc4 Amb2231480 [0,0,0,0,0,0|0,0,4]=4 5 B24R4.2065355 Fc1cc2C(CCOc2cc1)Nc3[nH]c4ccccc4[n]3 Amb23775315 [0,1,0,0,0,0|1,0,0]=2 6 B24R4.2065355 Fc1cc2C(CCOc2cc1)Nc3[n]c4ccccc4[s]3 Amb23638447 [0,1,0,0,0,0|2,0,0]=3 7 B24R4.2065355 Fc1cc2C(CCOc2cc1)Nc3[n]c4ccccc4o3 Amb23638444 [0,1,0,0,0,0|2,0,0]=3 8 B24R4.2065355 Fc1ccc2CCCC(Nc3[n]c4ccccc4o3)c2c1 Amb23801573 [0,1,0,0,0,0|1,0,0]=2 9 B24R4.3402214 Fc1cccc2[C@H](CCOc21)Nc3[nH]c4ccccc4[n]3 Amb23877950 [0,1,0,0,0,0|1,0,0]=2 10 B24R4.3402214 Fc1cccc2[C@H](CCOc21)Nc3[n]c4ccccc4[s]3 Amb23878169 [0,1,0,0,0,0|2,0,0]=3 11 B24R4.3402214 Fc1cccc2[C@H](CCOc21)Nc3[n]c4ccccc4o3 Amb23877845 [0,1,0,0,0,0|2,0,0]=3 12 B24R4.3403390 O=C1C=CN=C2SC(NC3CCCc4ccccc43)=NN21 Amb19440881 [0,1,0,0,0,0|3,0,0]=4 13 B22R3.797 O=C(CC1NCCc2c1cccc2)Nc3ccccc3 Amb2427805 [0,0,1,0,0,0|3,0,0]=4 14 B22R3.797 O=C(NC1CCCc2c1cccc2)Cc3ccccc3 Amb1232915 [0,0,1,0,0,0|2,0,0]=3 15 B22R3.797 O=C(NC1CCCc2c1cccc2)Nc3cccnc3 Amb11256421 [0,0,1,0,0,0|2,0,0]=3 16 B22R3.797 O=C(NC1CCOc2c1cccc2)Nc3ccccn3 Amb10658407 [0,0,1,0,0,0|3,0,0]=4 17 B22R3.797 O=C(NC1CCOc2c1cccc2)Nc3cccnc3 Amb140635 [0,0,1,0,0,0|3,0,0]=4 18 B22R3.797 O=C(NC1CCOc2c1cccc2)Nc3ccncc3 Amb11387978 [0,0,1,0,0,0|3,0,0]=4 19 B22R3.797 O=C(NC1CCSc2c1cccc2)Nc3ccccn3 Amb11387979 [0,0,1,0,0,0|3,0,0]=4 20 B22R3.797 O=C(NC1CCSc2c1cccc2)Nc3cccnc3 Amb10620008 [0,0,1,0,0,0|3,0,0]=4 21 B22R3.797 O=C(NC1CCSc2c1cccc2)Nc3ccncc3 Amb10658415 [0,0,1,0,0,0|3,0,0]=4 22 B22R3.797 S=C(Nc1cc[n]cc1)NC2CCCc3ccccc32 Amb23204284 [0,0,1,0,0,0|2,0,0]=3 23 B22R3.38404 C=CCC(Sc1[nH]c2ccccc2[n]1)c3ccccc3 Amb21977666 [0,0,1,0,0,0|1,0,2]=4 24 B22R3.38404 OCC[C@@H](Nc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23775167 [0,0,1,0,0,0|1,0,0]=2 25 B22R3.38404 OCC[C@@H](Nc1[n]c2ccccc2[s]1)c3ccccc3 Amb23670707 [0,0,1,0,0,0|2,0,0]=3 26 B22R3.38404 OCC[C@@H](Nc1[n]c2ccccc2o1)c3ccccc3 Amb23670726 [0,0,1,0,0,0|2,0,0]=3 27 B22R3.816194 CCOc1[n]cccc1CNc2[n]c3ccccc3[s]2 Amb21574736 [0,0,1,0,0,0|3,0,0]=4 28 B22R3.816194 CCOc1ccccc1CNc2[nH]c3ccccc3[n]2 Amb23774866 [0,0,1,0,0,0|1,0,0]=2 29 B22R3.816194 COCc1ccccc1CNc2nc3c(s2)cccc3 Amb11304788 [0,0,1,0,0,0|2,0,0]=3 30 B22R3.3018238 C(CCNc1ccccc1)Nc2[nH]c3ccccc3[n]2 Amb23895500 [0,0,1,0,0,0|1,0,0]=2 31 B22R3.3018238 C(Cc1[nH]c2ccccc2[n]1)NCCc3ccccc3 Amb18104117 [0,0,1,0,0,0|2,0,0]=3 32 B22R3.3018238 C(NCCCc1[nH]c2ccccc2[n]1)c3c[n]ccc3 Amb23554883 [0,0,1,0,0,0|3,0,0]=4 33 B22R3.3018238 C(NCCCc1[nH]c2ccccc2[n]1)c3cc[n]cc3 Amb23554882 [0,0,1,0,0,0|3,0,0]=4 34 B22R3.3018238 C(NCCCc1[nH]c2ccccc2[n]1)c3cccc[n]3 Amb23554892 [0,0,1,0,0,0|3,0,0]=4 35 B22R3.3018238 C(NCCCc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23554880 [0,0,1,0,0,0|2,0,0]=3 36 B22R3.3018238 C(NCCCc1ccccc1)c2[nH]c3ccccc3[n]2 Amb22393221 [0,0,1,0,0,0|2,0,0]=3 37 B22R3.3018238 C(NCCOc1ccccc1)c2[nH]c3ccccc3[n]2 Amb22393238 [0,0,1,0,0,0|3,0,0]=4 38 B22R3.3018238 C(OCCNc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23775763 [0,0,1,0,0,0|1,0,0]=2 39 B22R3.3018238 c1ccc(cc1)CC\C=N\Nc2nc3c(s2)cccc3 Amb10569397 [0,0,1,0,0,0|2,0,1]=4 40 B22R3.3018238 c1ccc(cc1)CSCCNc2nc3c(o2)cccc3 Amb10705751 [0,0,1,0,0,0|2,0,0]=3 41 B22R3.3018238 c1ccc(cc1)CSCCSc2nc3c(s2)cccc3 Amb16758268 [0,0,1,0,0,0|3,0,0]=4 42 B22R3.3018238 c1ccc(cc1)OCCCSc2nc3c([nH]2)cccc3 Amb1054261 [0,0,1,0,0,0|2,0,0]=3 43 B22R3.3018238 c1ccc(cc1)OCCCSc2nc3c(s2)cccc3 Amb1221557 [0,0,1,0,0,0|3,0,0]=4 44 B22R3.3018238 c1ccc(cc1)OCCSCc2nc3c([nH]2)cccc3 Amb2502204 [0,0,1,0,0,0|3,0,0]=4 45 B22R3.3768459 COc1ccccc1C(=O)Nc2nc3c([nH]2)cccc3 Amb1546097 [0,0,1,0,0,0|2,0,1]=4 46 B22R3.3768459 CSc1ccccc1C(=O)Nc2nc3c([nH]2)cccc3 Amb2313663 [0,0,1,0,0,0|2,0,1]=4 47 B22R4.4503 c1ccc2c(c1)C(CO2)Nc3nc4c(o3)cccc4 Amb15475064 [0,0,0,0,1,0|2,0,0]=3 48 B22R4.4503 c1ccc2c(c1)N(CC2)Cc3nc4c(o3)cccc4 Amb13970608 [0,0,0,0,1,0|3,0,0]=4 49 B22R4.27570538 C1CC[n]2[n]c[n]c2C1Nc3[nH]c4ccccc4[n]3 Amb23776077 [0,0,0,0,1,0|3,0,0]=4 50 B24R4.1620053 c1ccc2c(c1)N(CCCS2)Cc3nc4c(o3)cccc4 Amb13970767 [0,0,0,0,0,1|3,0,0]=4 51 B24R4.1620726 C(Nc1[nH]c2ccccc2[n]1)C3CCOc4ccccc43 Amb23775301 [0,0,0,0,0,1|1,0,0]=2 52 B24R4.1620726 C(Nc1[n]c2ccccc2o1)C3CCOc4ccccc43 Amb23632944 [0,0,0,0,0,1|2,0,0]=3 53 B24R4.1620726 c1ccc2c(c1)C(CCO2)NCc3cc4c(o3)cccc4 Amb10677630 [0,0,0,0,0,1|3,0,0]=4 54 B21R3.2502 CCC(Nc1[nH]c2ccccc2[n]1)c3cc[n]cc3 Amb23775568 [1,0,1,0,0,0|1,0,0]=3 55 B21R3.2502 CCN(Cc1[nH]c2ccccc2[n]1)c3ccccc3 Amb18620122 [1,0,1,0,0,0|2,0,0]=4 56 B21R3.2502 CNC(c1ccccc1)Cc2nc3c([nH]2)cccc3 Amb17134477 [1,0,1,0,0,0|2,0,0]=4 57 B21R3.2502 OCC(Nc1[n]c2ccccc2o1)c3ccccc3 Amb19474021 [1,0,1,0,0,0|2,0,0]=4 58 B21R3.75855 COc1ccccc1CNc2nc3c([nH]2)cccc3 Amb13950242 [1,0,1,0,0,0|1,0,0]=3 59 B21R3.75855 COc1ccccc1CNc2nc3c(o2)cccc3 Amb11277987 [1,0,1,0,0,0|2,0,0]=4 60 B21R3.75855 COc1ccccc1CSc2nc3c([nH]2)cccc3 Amb1557997 [1,0,1,0,0,0|2,0,0]=4 61 B21R3.75855 OCc1ccccc1CNc2[n]c3ccccc3[s]2 Amb24207584 [1,0,1,0,0,0|2,0,0]=4 62 B21R3.3965166 CC(c1ccccc1C)Nc2nc3c(o2)cccc3 Amb11283147 [1,0,1,0,0,0|1,0,0]=3 63 B23R3.1471 Cc1c[n]c(cc1)NC(=S)NC2CCCc3ccccc32 Amb23204281 [0,1,1,0,0,0|2,0,0]=4 64 B23R3.1471 Fc1ccc(cc1)NC(=S)NC2CCCc3ccccc32 Amb23204240 [0,1,1,0,0,0|1,0,0]=3 65 B23R3.1471 Nc1ccc(CC(=O)NC2CCCc3ccccc32)cc1 Amb25435441 [0,1,1,0,0,0|2,0,0]=4 66 B23R3.1471 O=C(NC1CCCc2c1cccc2)Cc3ccc(cc3)Br Amb1226884 [0,1,1,0,0,0|2,0,0]=4 67 B23R3.1471 O=C(NC1CCCc2c1cccc2)Cc3ccc(cc3)Cl Amb20661 [0,1,1,0,0,0|2,0,0]=4 68 B23R3.1471 S=C(Nc1ccc(Br)cc1)NC2CCCc3ccccc32 Amb23204235 [0,1,1,0,0,0|1,0,0]=3 69 B23R3.1471 S=C(Nc1ccc(Cl)cc1)NC2CCCc3ccccc32 Amb23204233 [0,1,1,0,0,0|1,0,0]=3 70 B23R3.17033 Cc1ccc[n]c1NC(=S)NC2CCCc3ccccc32 Amb23204280 [0,1,1,0,0,0|2,0,0]=4 71 B23R3.17033 Nc1ccccc1NC(=O)CC2CCCc3ccccc32 Amb25544809 [0,1,1,0,0,0|2,0,0]=4 72 B23R3.17033 O=C(Cc1ccccc1Cl)NC2CCCc3c2cccc3 Amb1583616 [0,1,1,0,0,0|2,0,0]=4 73 B23R3.17033 O=C(Cc1ccccc1F)NC2CCCc3c2cccc3 Amb2274151 [0,1,1,0,0,0|2,0,0]=4 74 B23R3.17033 O=C(Nc1ccccc1Br)NC2CCCc3c2cccc3 Amb2178751 [0,1,1,0,0,0|1,0,0]=3 75 B23R3.44114 Cc1cc(NC(=S)NC2CCCc3ccccc32)[n]cc1 Amb23204283 [0,1,1,0,0,0|2,0,0]=4 76 B23R3.44114 Cc1cccc(NC(=S)NC2CCCc3ccccc32)[n]1 Amb23204282 [0,1,1,0,0,0|2,0,0]=4 77 B23R3.44114 Fc1cc(ccc1)NC(=S)NC2CCCc3ccccc32 Amb23204246 [0,1,1,0,0,0|1,0,0]=3 78 B23R3.44114 O=C(Cc1cc(Br)ccc1)NC2CCCc3ccccc32 Amb23111229 [0,1,1,0,0,0|2,0,0]=4 79 B23R3.44114 O=C(Cc1cc(Cl)ccc1)NC2CCCc3ccccc32 Amb23210825 [0,1,1,0,0,0|2,0,0]=4 80 B23R3.44114 O=C(NC1CCCc2c1cccc2)Cc3cccc(c3)F Amb199766 [0,1,1,0,0,0|2,0,0]=4 81 B23R3.44114 S=C(Nc1cc(Br)ccc1)NC2CCCc3ccccc32 Amb23204234 [0,1,1,0,0,0|1,0,0]=3 82 B23R3.44114 S=C(Nc1cc(Cl)ccc1)NC2CCCc3ccccc32 Amb23204232 [0,1,1,0,0,0|1,0,0]=3 83 B23R3.145231 Cc1ccc2CCCC(OC(=O)Nc3ccccc3)c2c1 Amb24092169 [0,1,1,0,0,0|2,0,0]=4 84 B23R3.19455498 OC1(CC(=S)Nc2ccccc2)CCCc3ccccc13 Amb22455797 [0,1,1,0,0,0|2,0,0]=4 85 B23R3.19474132 NC(C(=O)NC1CCCc2ccccc21)c3ccccc3 Amb25435442 [0,1,1,0,0,0|2,0,0]=4 86 B23R3.18329 N#CCCC(Nc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23776357 [0,1,1,0,0,0|0,0,1]=3 87 B23R3.18329 OCCCC(Nc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23775554 [0,1,1,0,0,0|0,0,0]=2 88 B23R3.18329 OCCCC(Nc1[n]c2ccccc2[s]1)c3ccccc3 Amb23670524 [0,1,1,0,0,0|1,0,0]=3 89 B23R3.18329 OCCCC(Nc1[n]c2ccccc2o1)c3ccccc3 Amb23670538 [0,1,1,0,0,0|1,0,0]=3 90 B23R3.20606131 CN(C(CCO)c1ccccc1)c2[nH]c3ccccc3[n]2 Amb23775734 [0,1,1,0,0,0|1,0,0]=3 91 B23R3.51431 CSCc1cc(F)ccc1CNc2[nH]c3ccccc3[n]2 Amb23776094 [0,1,1,0,0,0|1,0,0]=3 92 B23R3.51431 Cc1cc(OCC)c(CNc2[nH]c3ccccc3[n]2)cc1 Amb23776121 [0,1,1,0,0,0|1,0,0]=3 93 B23R3.1419781 C=CCOc1ccccc1CNc2[nH]c3ccccc3[n]2 Amb23775339 [0,1,1,0,0,0|0,0,2]=4 94 B23R3.1419781 CCCOc1[n]cccc1CNc2[nH]c3ccccc3[n]2 Amb23774908 [0,1,1,0,0,0|1,0,0]=3 95 B23R3.1419781 CCOCc1ccccc1CNc2nc3c(o2)cccc3 Amb10720454 [0,1,1,0,0,0|1,0,0]=3 96 B23R3.20129821 CCOc1ccccc1CN(C)c2[nH]c3ccccc3[n]2 Amb23774813 [0,1,1,0,0,0|1,0,0]=3 97 B23R3.20144624 COCc1ccccc1C(=O)Nc2[nH]c3ccccc3[n]2 Amb24189826 [0,1,1,0,0,0|1,0,1]=4 98 B23R3.3088975 CCC(Nc1[n]c2ccccc2o1)c3cc(F)ccc3F Amb23668807 [0,1,1,0,0,0|2,0,0]=4 99 B23R3.51009 O=C(CCNc1[nH]c2ccccc2[n]1)Nc3ccccc3 Amb23775381 [0,1,1,0,0,0|1,0,1]=4 100 B23R3.51009 O=S(Cc1ccccc1)CCNc2[nH]c3ccccc3[n]2 Amb23775312 [0,1,1,0,0,0|1,0,0]=3 101 B23R3.51075 CN(c1ccccc1)CCCNc2nc3c(o2)cccc3 Amb10705714 [0,1,1,0,0,0|2,0,0]=4 102 B23R3.1338538 Cc1ccc(CNCCCc2[nH]c3ccccc3[n]2)cc1 Amb23554881 [0,1,1,0,0,0|2,0,0]=4 103 B23R3.1338538 Cc1ccc(CSCCNc2[n]c3ccccc3o2)cc1 Amb21236072 [0,1,1,0,0,0|2,0,0]=4 104 B23R3.1338538 Cc1ccc(cc1)OCCCSc2nc3c([nH]2)cccc3 Amb1667185 [0,1,1,0,0,0|2,0,0]=4 105 B23R3.1338538 Clc1ccc(CNCCCc2[nH]c3ccccc3[n]2)cc1 Amb22284258 [0,1,1,0,0,0|2,0,0]=4 106 B23R3.1338538 Clc1ccc(COCCNc2[nH]c3ccccc3[n]2)cc1 Amb23776428 [0,1,1,0,0,0|1,0,0]=3 107 B23R3.1338538 Clc1ccc(COCCNc2[n]c3ccccc3o2)cc1 Amb23763089 [0,1,1,0,0,0|2,0,0]=4 108 B23R3.1338538 Clc1ccc(cc1)CNCCCc2nc3c([nH]2)cccc3 Amb12805663 [0,1,1,0,0,0|2,0,0]=4 109 B23R3.1338538 Clc1ccc(cc1)OCCCSc2nc3c([nH]2)cccc3 Amb1057894 [0,1,1,0,0,0|2,0,0]=4 110 B23R3.1338538 Fc1ccc(CNCCCc2[nH]c3ccccc3[n]2)cc1 Amb23554884 [0,1,1,0,0,0|2,0,0]=4 111 B23R3.1338538 Oc1ccc(CCNCCc2[nH]c3ccccc3[n]2)cc1 Amb18104079 [0,1,1,0,0,0|2,0,0]=4 112 B23R3.3559244 OC(CNc1nc2c(o1)cccc2)COc3ccccc3 Amb14015021 [0,1,1,0,0,0|2,0,0]=4 113 B23R3.7932701 Cc1cccc(c1)CNCCCc2nc3c([nH]2)cccc3 Amb13892473 [0,1,1,0,0,0|2,0,0]=4 114 B23R3.7932701 Cc1cccc(c1)OCCCSc2nc3c([nH]2)cccc3 Amb1264287 [0,1,1,0,0,0|2,0,0]=4 115 B23R3.7932701 Clc1cc(CNCCCc2[nH]c3ccccc3[n]2)ccc1 Amb23554889 [0,1,1,0,0,0|2,0,0]=4 116 B23R3.8046005 Cc1cc2[n]c(CCNCCc3ccccc3)[nH]c2cc1 Amb18104113 [0,1,1,0,0,0|2,0,0]=4 117 B23R3.8046005 Cc1ccc2c(c1)nc([nH]2)SCCCOc3ccccc3 Amb1667182 [0,1,1,0,0,0|2,0,0]=4 118 B23R3.8046005 Clc1cc2[n]c(CNCCCc3ccccc3)[nH]c2cc1 Amb22393218 [0,1,1,0,0,0|2,0,0]=4 119 B23R3.8046005 Fc1cc2[n]c(NCCCNc3ccccc3)oc2cc1 Amb23653106 [0,1,1,0,0,0|2,0,0]=4 120 B23R3.8046005 Oc1cc2[n]c(CCNCCc3ccccc3)[nH]c2cc1 Amb18104112 [0,1,1,0,0,0|2,0,0]=4 121 B23R3.8281260 Cc1ccccc1CNCCCc2[nH]c3ccccc3[n]2 Amb23554891 [0,1,1,0,0,0|2,0,0]=4 122 B23R3.8281260 Cc1ccccc1OCCCSc2nc3c([nH]2)cccc3 Amb1264286 [0,1,1,0,0,0|2,0,0]=4 123 B23R3.8281260 Clc1ccccc1CNCCCc2[nH]c3ccccc3[n]2 Amb23554888 [0,1,1,0,0,0|2,0,0]=4 124 B23R3.8281260 Fc1ccccc1CNCCCc2[nH]c3ccccc3[n]2 Amb23554890 [0,1,1,0,0,0|2,0,0]=4 125 B23R3.19444762 CN(CCOCc1ccccc1)c2[nH]c3ccccc3[n]2 Amb23776131 [0,1,1,0,0,0|1,0,0]=3 126 B23R3.1764995 COc1cccc(F)c1C(C)Nc2[nH]c3ccccc3[n]2 Amb23775586 [0,1,1,0,0,0|1,0,0]=3 127 B23R4.16933 Fc1cc2CCC(Nc3[nH]c4ccccc4[n]3)c2cc1 Amb23774884 [0,1,0,0,1,0|0,0,0]=2 128 B23R4.54437 OC1Cc2c(C1Sc3nc4c([nH]3)cccc4)cccc2 Amb2419080 [0,1,0,0,1,0|1,0,0]=3 129 B23R4.54437 OC1Cc2c(C1Sc3nc4c(s3)cccc4)cccc2 Amb2419081 [0,1,0,0,1,0|2,0,0]=4 130 B23R4.54437 O[C@@H]1Cc2ccccc2[C@@H]1Nc3[nH]c4ccccc4[n]3 Amb23774873 [0,1,0,0,1,0|0,0,0]=2 131 B23R4.54437 O[C@@H]1Cc2ccccc2[C@@H]1Nc3[n]c4ccccc4[s]3 Amb19300194 [0,1,0,0,1,0|1,0,0]=3 132 B23R4.54437 O[C@@H]1Cc2ccccc2[C@@H]1Nc3[n]c4ccccc4o3 Amb19448202 [0,1,0,0,1,0|1,0,0]=3 133 B23R4.2136411 Fc1ccc2CCC(Nc3[nH]c4ccccc4[n]3)c2c1 Amb23775273 [0,1,0,0,1,0|0,0,0]=2 134 B23R4.2136411 Fc1ccc2CCC(Nc3[n]c4ccccc4o3)c2c1 Amb23632081 [0,1,0,0,1,0|1,0,0]=3 135 B25R4.4159045 O=C1CC(CNc2[nH]c3ccccc3[n]2)c4ccccc4N1 Amb23775984 [0,1,0,0,0,1|1,0,1]=4 136 B25R4.4917548 CN(C1CCCc2c1cccc2)Cc3nc4c(o3)cccc4 Amb13970642 [0,1,0,0,0,1|1,0,0]=3 137 B25R4.203444797 OC1(CNc2[nH]c3ccccc3[n]2)CCCc4ccccc14 Amb23775306 [0,1,0,0,0,1|0,0,0]=2 138 B25R4.203444797 OC1(CNc2[n]c3ccccc3o2)CCCc4ccccc14 Amb23636046 [0,1,0,0,0,1|1,0,0]=3 139 B25R4.441814131 O=C(c1cc2c([nH]1)cccc2)NC3CCSc4c3cccc4 Amb10674036 [0,1,0,0,0,1|2,0,0]=4 140 B25R4.441814131 O=C(c1cc2c(o1)cccc2)NC3CCCc4c3cccc4 Amb20086 [0,1,0,0,0,1|2,0,0]=4 141 B25R4.441814131 O=C(c1nc2c(s1)cccc2)NC3CCCc4c3cccc4 Amb10888063 [0,1,0,0,0,1|1,0,0]=3 142 B25R4.4345885 O=C1NC(NC2CCOc3ccccc32)=Nc4ccccc41 Amb23616534 [0,1,0,0,0,1|1,0,0]=3 143 B25R4.18943444 Fc1cc2C(CCSc2cc1)Nc3c[n]c4ccccc4[n]3 Amb21229857 [0,1,0,0,0,1|1,0,1]=4 144 B25R4.1637793 N#Cc1c(NC2CCCc3ccccc32)[n]c4cccc[n]41 Amb23819870 [0,2,0,0,0,0|2,0,0]=4 145 B25R4.43302066 C[n]1c2ccccc2[n]c1CN3CCCc4c3cccc4N Amb25492288 [0,2,0,0,0,0|2,0,0]=4 146 B25R4.20006378 CC1(C)CC(Nc2[nH]c3ccccc3[n]2)c4ccccc4O1 Amb23776181 [0,2,0,0,0,0|1,0,0]=3 147 B25R4.20006378 CC1(C)CC(Nc2[n]c3ccccc3o2)c4ccccc4O1 Amb23729742 [0,2,0,0,0,0|2,0,0]=4 148 B25R4.1737809990 Fc1cc2C(CCOc2cc1)Nc3[n]c4cc(F)ccc4o3 Amb23653127 [0,2,0,0,0,0|2,0,0]=4 149 B25R4.1737809990 Fc1cc2C(CCSc2cc1)Nc3[n]c4cc(F)ccc4o3 Amb23652994 [0,2,0,0,0,0|2,0,0]=4 150 B25R4.195398829 Fc1cc2[n]c(NC3CCOc4c(Cl)cccc43)oc2cc1 Amb23653027 [0,2,0,0,0,0|2,0,0]=4 151 B25R4.195398829 Fc1cc2[n]c(N[C@H]3CCOc4c3cccc4F)oc2cc1 Amb23877991 [0,2,0,0,0,0|2,0,0]=4 152 B21R2.13144 O=C(Nc1ccccc1)NCCCCc2ccccc2 Amb1539229 [0,0,2,0,0,0|1,0,0]=3 153 B21R2.13144 O=C(Nc1ccccc1)NCCCOc2ccccc2 Amb179779 [0,0,2,0,0,0|2,0,0]=4 154 B21R2.13144 O=C(Nc1ccccc1)NCCCSc2ccccc2 Amb2358078 [0,0,2,0,0,0|2,0,0]=4 155 B21R2.13144 O=C(Nc1ccccc1)NCCOCc2ccccc2 Amb19559956 [0,0,2,0,0,0|2,0,0]=4 156 B21R2.13144 O=C(Nc1ccccc1)NCCSCc2ccccc2 Amb15899025 [0,0,2,0,0,0|2,0,0]=4 157 B21R2.13144 S=C(Nc1ccccc1)NCCOCc2ccccc2 Amb23325664 [0,0,2,0,0,0|2,0,0]=4 158 B21R2.13144 S=C(Nc1ccccc1)NCCSCc2ccccc2 Amb22914824 [0,0,2,0,0,0|2,0,0]=4 159 B21R2.14186 CCOc1ccccc1CNC(=S)Nc2ccccc2 Amb22906672 [0,0,2,0,0,0|2,0,0]=4 160 B21R2.23122 COc1ccccc1C(C)NC(=S)Nc2ccccc2 Amb22987881 [0,0,2,0,0,0|2,0,0]=4 161 B21R2.23122 COc1ccccc1C(NC(=O)Nc2ccccc2)C Amb11231913 [0,0,2,0,0,0|2,0,0]=4 162 B21R2.512837 Cc1ccccc1C(CC)NC(=O)Nc2ccccc2 Amb19560616 [0,0,2,0,0,0|1,0,0]=3 163 B21R2.512837 Cc1ccccc1C(CC)NC(=S)Nc2c[n]ccc2 Amb23206809 [0,0,2,0,0,0|2,0,0]=4 164 B21R2.512837 Cc1ccccc1C(CC)NC(=S)Nc2cc[n]cc2 Amb23206811 [0,0,2,0,0,0|2,0,0]=4 165 B21R2.512837 Cc1ccccc1C(CC)NC(=S)Nc2ccccc2 Amb23206741 [0,0,2,0,0,0|1,0,0]=3 166 B23R4.6109 C1CC(Sc2nnc3n2cccc3)c4c(C1)cccc4 Amb10744578 [0,0,1,1,0,0|2,0,0]=4 167 B23R4.5382 c1ccc(cc1)C2CCCN2c3nc4c(s3)cccc4 Amb11273336 [0,0,1,1,0,0|1,0,0]=3 168 B23R4.58268 O=C1CC(Nc2n1c3ccccc3n2)c4ccccc4 Amb1045669 [0,0,1,1,0,0|1,0,1]=4 169 B23R4.1519793 C1CC1C(Nc2[n]c3ccccc3[s]2)c4ccccc4 Amb20837938 [0,0,1,1,0,0|1,0,0]=3 170 B23R4.4608428 c1ccc(cc1)C2OCCn3c(C2)nc4c3cccc4 Amb17134478 [0,0,1,1,0,0|2,0,0]=4 171 B23R4.52026354 C1c2ccccc2CCCN1c3[nH]c4ccccc4[n]3 Amb23775278 [0,0,1,1,0,0|0,0,0]=2 172 B23R4.1519690 C(Nc1[nH]c2ccccc2[n]1)C3CC3c4ccccc4 Amb23775347 [0,0,1,1,0,0|0,0,0]=2 173 B23R4.1541696 c1ccc2c(c1)\C(=N/Nc3nc4c([nH]3)cccc4)\CC2 Amb2254431 [0,0,1,1,0,0|1,0,1]=4 174 B23R4.2192251 CC1c2ccccc2CCN1c3[n]c4ccccc4o3 Amb23700127 [0,0,1,1,0,0|1,0,0]=3 175 B25R5.4111680 C1CC2C(Nc3[n]c4ccccc4o3)C2c5ccccc51 Amb23750573 [0,0,0,1,0,1|1,0,0]=3 176 B21R3.24493 O=C(N1CCCc2c1cccc2)Nc3ccccc3 Amb1074657 [0,0,1,0,1,0|2,0,0]=4 177 B21R3.24493 O=C(Nc1ccc[n]c1)C2CCCc3ccccc32 Amb21806947 [0,0,1,0,1,0|2,0,0]=4 178 B21R3.24497 O=C(NC1CCc2c1cccc2)Nc3ccccc3 Amb16079081 [0,0,1,0,1,0|1,0,0]=3 179 B21R3.521193 O=C(NC1CNCc2ccccc21)c3ccccc3 Amb19110532 [0,0,1,0,1,0|2,0,0]=4 180 B21R3.521193 O=C(NN1CCCc2ccccc12)c3ccccc3 Amb21951286 [0,0,1,0,1,0|2,0,0]=4 181 B21R3.521193 O=C(c1ccccc1)NC2CCCc3c2cccc3 Amb1545136 [0,0,1,0,1,0|1,0,0]=3 182 B21R3.521193 O=C(c1ccccc1)NC2CCSc3c2cccc3 Amb1559295 [0,0,1,0,1,0|2,0,0]=4 183 B21R3.521193 O=C(c1cccnc1)NC2CCCc3c2cccc3 Amb2314742 [0,0,1,0,1,0|2,0,0]=4 184 B21R3.521193 O=C(c1ccncc1)NC2CCCc3c2cccc3 Amb1572372 [0,0,1,0,1,0|2,0,0]=4 185 B21R3.25611 OCCC(Nc1[nH]c2ccccc2[n]1)c3ccc[s]3 Amb23775549 [0,0,1,0,1,0|2,0,0]=4 186 B21R3.25611 OCCC(Nc1[nH]c2ccccc2[n]1)c3ccco3 Amb23846143 [0,0,1,0,1,0|2,0,0]=4 187 B21R3.2211533 CCC(c1[nH]c2ccccc2[n]1)c3ccccc3Cl Amb22487807 [0,0,1,0,1,0|1,0,0]=3 188 B21R3.2211533 NCC(c1ccccc1C)c2cc3c([nH]2)cccc3 Amb17261750 [0,0,1,0,1,0|2,0,0]=4 189 B21R3.2429969 C(COc1c[n]ccc1)Nc2[nH]c3ccccc3[n]2 Amb23775407 [0,0,1,0,1,0|2,0,0]=4 190 B21R3.2429969 C(NCCc1[nH]c2ccccc2[n]1)c3c[n]ccc3 Amb18104145 [0,0,1,0,1,0|2,0,0]=4 191 B21R3.2429969 C(NCCc1[nH]c2ccccc2[n]1)c3cc[n]cc3 Amb18620839 [0,0,1,0,1,0|2,0,0]=4 192 B21R3.2429969 C(NCCc1[nH]c2ccccc2[n]1)c3cccc[n]3 Amb18104154 [0,0,1,0,1,0|2,0,0]=4 193 B21R3.2429969 C(NCCc1[nH]c2ccccc2[n]1)c3ccccc3 Amb18620773 [0,0,1,0,1,0|1,0,0]=3 194 B21R3.2429969 C(NCCc1ccccc1)c2[nH]c3ccccc3[n]2 Amb22393125 [0,0,1,0,1,0|1,0,0]=3 195 B21R3.2429969 C(\C=C\c1ccccc1)Nc2[nH]c3ccccc3[n]2 Amb23775378 [0,0,1,0,1,0|0,0,2]=4 196 B21R3.2429969 c1ccc(cc1)CCSCc2nc3c([nH]2)cccc3 Amb1317196 [0,0,1,0,1,0|1,0,0]=3 197 B21R3.2429969 c1ccc(cc1)OCCCc2nc3c([nH]2)cccc3 Amb17119301 [0,0,1,0,1,0|1,0,0]=3 198 B21R3.2429969 c1ccc(cc1)OCCNc2nc3c(o2)cccc3 Amb11278124 [0,0,1,0,1,0|2,0,0]=4 199 B21R3.2429969 c1ccc(cc1)OCCSc2nc3c([nH]2)cccc3 Amb1012598 [0,0,1,0,1,0|2,0,0]=4 200 B21R4.68891 C1CN(c2ccccc21)c3[n]c4ccccc4[s]3 Amb20720200 [0,0,0,0,2,0|2,0,0]=4 201 B21R4.68891 c1ccc2c(c1)N(CC2)c3nc4c(o3)cccc4 Amb11425728 [0,0,0,0,2,0|2,0,0]=4 202 B23R3.3783 N=C(NC1CCCc2ccccc21)NCc3ccccc3 Amb25052591 [0,0,1,0,0,1|0,0,0]=2 203 B23R3.3783 N=C(NC1CCOc2ccccc21)NCc3ccccc3 Amb24584185 [0,0,1,0,0,1|1,0,0]=3 204 B23R3.3783 O=C(CNc1ccccc1)NC2CCOc3ccccc32 Amb20751993 [0,0,1,0,0,1|2,0,0]=4 205 B23R3.3783 O=C(NC1CCCc2c1cccc2)COc3ccccc3 Amb2276259 [0,0,1,0,0,1|2,0,0]=4 206 B23R3.3783 O=C(NC1CCCc2c1cccc2)NCc3ccccc3 Amb13974621 [0,0,1,0,0,1|1,0,0]=3 207 B23R3.3783 O=C(NC1CCCc2c1cccc2)\C=C\c3ccccc3 Amb1543469 [0,0,1,0,0,1|2,0,0]=4 208 B23R3.3783 O=C(NC1CCCc2ccccc21)NCc3cccc[n]3 Amb21774920 [0,0,1,0,0,1|2,0,0]=4 209 B23R3.3783 O=C(NC1CCCc2ccccc21)OCc3ccccc3 Amb25376044 [0,0,1,0,0,1|2,0,0]=4 210 B23R3.3783 O=C(NC1CCOc2c1cccc2)NCc3ccccc3 Amb16018651 [0,0,1,0,0,1|2,0,0]=4 211 B23R3.3783 O=C(NC1CNCc2ccccc21)NCc3ccccc3 Amb25810511 [0,0,1,0,0,1|2,0,0]=4 212 B23R3.3783 S=C(NC1CCCc2c1cccc2)NCc3ccccc3 Amb1641513 [0,0,1,0,0,1|1,0,0]=3 213 B23R3.938629 O=C(Nc1ccc[n]c1)NCC2CCCc3ccccc32 Amb21259528 [0,0,1,0,0,1|2,0,0]=4 214 B23R3.939383 O=C(NC1CCCOc2c1cccc2)Nc3ccncc3 Amb11207167 [0,0,1,0,0,1|2,0,0]=4 215 B23R3.91154 CCOC(CNc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23906470 [0,0,1,0,0,1|1,0,0]=3 216 B23R3.91154 OCCC(CNc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23775544 [0,0,1,0,0,1|1,0,0]=3 217 B23R3.91154 OCCC(CNc1[n]c2ccccc2[s]1)c3ccccc3 Amb23668363 [0,0,1,0,0,1|2,0,0]=4 218 B23R3.91154 OCCC(CNc1[n]c2ccccc2o1)c3ccccc3 Amb23668374 [0,0,1,0,0,1|2,0,0]=4 219 B23R3.91353 OCC[C@@H](Nc1ccc2ccccc2[n]1)c3ccccc3 Amb23670687 [0,0,1,0,0,1|2,0,0]=4 220 B23R3.421212 CCOc1ccccc1CCNc2[n]c3ccccc3o2 Amb23625531 [0,0,1,0,0,1|2,0,0]=4 221 B23R3.421212 CCOc1ccccc1\C=N\Nc2nc3c([nH]2)cccc3 Amb1062170 [0,0,1,0,0,1|1,0,1]=4 222 B23R3.1021739 COC(CNc1[nH]c2ccccc2[n]1)c3ccccc3Cl Amb23776207 [0,0,1,0,0,1|2,0,0]=4 223 B23R3.1974307 C(CCNc1ccccc1)Nc2ccc3ccccc3[n]2 Amb23895473 [0,0,1,0,0,1|2,0,0]=4 224 B23R3.1974307 C(CCSc1ccccc1)Nc2c[n]c3ccccc3[n]2 Amb21227732 [0,0,1,0,0,1|1,0,1]=4 225 B23R3.3869082 C(CCCNc1[nH]c2ccccc2[n]1)Nc3cccc[n]3 Amb23775108 [0,0,1,0,0,1|1,0,0]=3 226 B23R3.3869082 C(CCc1[nH]c2ccccc2[n]1)NCCc3ccccc3 Amb23554893 [0,0,1,0,0,1|1,0,0]=3 227 B23R3.3869082 C(COCCNc1[nH]c2ccccc2[n]1)c3ccccc3 Amb23775463 [0,0,1,0,0,1|0,0,0]=2 228 B23R3.3869082 C(COc1ccccc1)CCSc2nc3c([nH]2)cccc3 Amb1097011 [0,0,1,0,0,1|1,0,0]=3 229 B23R3.3869082 C(COc1ccccc1)CSCc2nc3c([nH]2)cccc3 Amb1555044 [0,0,1,0,0,1|2,0,0]=4 230 B23R3.27290673 COc1ccccc1C(C)CNc2[nH]c3ccccc3[n]2 Amb23775124 [0,0,1,0,0,1|1,0,0]=3 231 B23R3.27290673 COc1ccccc1\C(=N\Nc2nc3c([nH]2)cccc3)\C Amb2259189 [0,0,1,0,0,1|1,0,1]=4 232 B25R4.1701907 c1ccc2c(c1)N(CCNc3nc4c(o3)cccc4)CCC2 Amb15755765 [0,0,0,0,0,2|2,0,0]=4