0 B24R3.415242 CC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb1661874 [0,0,0,0,0,0|3,0,0]=3 1 B24R3.415242 NC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb1551209 [0,0,0,0,0,0|3,0,0]=3 2 B24R3.415242 OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1232085 [0,0,0,0,0,0|0,0,0]=0 3 B24R3.415242 OC(=O)CSc1[n][n](-c2ccccc2)[n+]([n]1)-c3ccccc3 Amb24179250 [0,0,0,0,0,0|4,0,0]=4 4 B24R3.415242 OC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb15740753 [0,0,0,0,0,0|2,0,0]=2 5 B24R3.415242 OC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb1794426 [0,0,0,0,0,0|2,0,0]=2 6 B24R3.415242 OC(=O)CSc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1196995 [0,0,0,0,0,0|1,0,0]=1 7 B23R3.65179 C=CCSc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1865625 [1,0,0,0,0,0|2,0,0]=3 8 B23R3.65179 CCOCc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb22452027 [1,0,0,0,0,0|2,0,1]=4 9 B23R3.65179 N#CCSc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1215079 [1,0,0,0,0,0|2,0,1]=4 10 B23R3.65179 OCCNc1nc(c(s1)c2ccccc2)c3ccccc3 Amb1540964 [1,0,0,0,0,0|1,1,1]=4 11 B25R3.135537 CNC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Amb15705579 [0,1,0,0,0,0|1,0,0]=2 12 B25R3.135537 CNC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb2267239 [0,1,0,0,0,0|3,0,0]=4 13 B25R3.135537 COC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb1190165 [0,1,0,0,0,0|2,0,0]=3 14 B25R3.135537 COC(=O)CSc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1168026 [0,1,0,0,0,0|1,0,0]=2 15 B25R3.135537 OCC(O)CSc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb21978171 [0,1,0,0,0,0|1,0,2]=4 16 B25R3.2066118 NC(=O)C(Sc1nc(c([nH]1)c2ccccc2)c3ccccc3)C Amb136966 [0,1,0,0,0,0|3,0,0]=4 17 B25R3.2066118 OC(=O)C(Sc1nc(c([nH]1)c2ccccc2)c3ccccc3)C Amb1049327 [0,1,0,0,0,0|2,0,0]=3 18 B25R3.2951977 OC(=O)CCN1N=C(c2ccccc2)N(C1=S)c3ccccc3 Amb20662150 [0,1,0,0,0,0|3,0,0]=4 19 B23R2.470525 OC(=O)CCCO[C@@H](c1ccccc1)C(=O)c2ccccc2 Amb24182035 [0,0,1,0,0,0|1,0,2]=4 20 B25R3.27440 NC(=O)CSc1nnc(c(n1)c2ccccc2)c3ccccc3 Amb1035029 [0,0,0,0,0,1|3,0,0]=4 21 B25R3.3953635 CN(C)CCNc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb24105742 [0,0,0,0,0,1|3,0,0]=4 22 B25R3.3953635 CN(C)CCSc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb21977792 [0,0,0,0,0,1|3,0,0]=4 23 B25R3.3953635 NC(=O)CCSc1[nH]c(c([n]1)-c2ccccc2)-c3ccccc3 Amb20749431 [0,0,0,0,0,1|2,0,0]=3 24 B25R3.3953635 NC(=O)CCSc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb20749167 [0,0,0,0,0,1|1,0,0]=2 25 B25R3.3953635 OC(=O)CCSc1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb1056358 [0,0,0,0,0,1|1,0,0]=2 26 B22R3.25997 NCCc1nc(c(s1)c2ccccc2)c3ccccc3 Amb1971425 [2,0,0,0,0,0|1,1,0]=4 27 B24R3.78645 CN(CCO)c1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb24105743 [1,1,0,0,0,0|1,0,1]=4 28 B26R3.1446 COC(=O)CSc1nnc(c(n1)c2ccccc2)c3ccccc3 Amb1234624 [0,1,0,0,0,1|2,0,0]=4 29 B26R3.8379720 [O-]P([O-])(=O)CNCc1[n]c(c(o1)-c2ccccc2)-c3ccccc3 Amb22461024 [0,1,0,0,0,1|1,0,1]=4 30 B26R3.1877037 CNC(=O)C(Sc1nc(c(o1)c2ccccc2)c3ccccc3)C Amb13967831 [0,2,0,0,0,0|2,0,0]=4 31 B26R3.5058727 CCNC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Amb16126070 [0,2,0,0,0,0|1,0,0]=3 32 B26R3.5058727 CCNC(=O)CSc1nc(c(o1)c2ccccc2)c3ccccc3 Amb1168008 [0,2,0,0,0,0|2,0,0]=4 33 B26R3.5058727 CONC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Amb10197412 [0,2,0,0,0,0|0,0,0]=2 34 B22R2.150198 OC(=O)CNC(=O)\C(=C\c1ccccc1)\c2ccccc2 Amb23440580 [0,0,1,0,1,0|1,0,1]=4 35 B22R3.35697 OC(=O)c1cc(n(n1)c2ccccc2)c3ccccc3 Amb1980831 [0,0,0,0,2,0|2,0,0]=4 36 B22R3.35697 OC(=O)c1nc(c([nH]1)c2ccccc2)c3ccccc3 Amb17065416 [0,0,0,0,2,0|1,0,0]=3 37 B22R3.35697 OC(=O)c1nc(n(c1)c2ccccc2)c3ccccc3 Amb17543742 [0,0,0,0,2,0|2,0,0]=4 38 B22R3.35697 OC(=O)c1nc(n(n1)c2ccccc2)c3ccccc3 Amb1208295 [0,0,0,0,2,0|2,0,0]=4 39 B24R3.23344 OC(=O)CCc1c[n]([n]c1-c2ccccc2)-c3ccccc3 Amb20672023 [0,0,0,0,1,1|2,0,0]=4 40 B24R3.1231410 OC(=O)CCn1cnc(c1c2ccccc2)c3ccccc3 Amb1217804 [0,0,0,0,1,1|1,0,0]=3 41 B26R3.94736 CC(=O)CCSc1nnc(c(n1)c2ccccc2)c3ccccc3 Amb1680293 [0,0,0,0,0,2|2,0,0]=4 42 B26R3.94736 NC(=O)CCSc1[n]c(c([n][n]1)-c2ccccc2)-c3ccccc3 Amb20748853 [0,0,0,0,0,2|2,0,0]=4