0 B11R1.53 CNc1cccnc1[N+](=O)[O-] CSC011381840 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 CNc1ncccc1[N+](=O)[O-] CSC000197359 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.283 CCNc1ncccc1[N+](=O)[O-] CSC000156583 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.283 CCOc1cccnc1[N+](=O)[O-] CSC000006494 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.283 CCSc1ccccc1C(=O)N CSC000019821 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.39 CCn1nccc1[N+](=O)[O-] CSC000054878 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,0,0,0,0,1|2,0,0]=3 23 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,0,0,0,0,1|3,0,0]=4 24 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.41 CCNc1ncccc1OC CSC011290862 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.222 CNC(=O)c1nccnc1N CSC000025198 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.222 NNC(=O)c1nccnc1N CSC000012858 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.59 CCn1nccc1C(=O)NC CSC015326349 [0,1,0,0,1,0|1,0,0]=3 38 B11R1.59 CCn1nccc1C(=O)NN CSC000080381 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.59 CCn1nccc1C(=O)OC CSC012185918 [0,1,0,0,1,0|1,0,0]=3 40 B11R1.59 COC(=O)c1sccc1OC CSC011218578 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.471 CCn1ncc(c1C(=O)N)Cl CSC046195626 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.51 CCc1cc(ccc1NC(=O)C)Br CSC011218123 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.91 CCC(=O)Nc1ccccc1CC CSC000154702 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.91 CCc1ccccc1NC(=O)NC CSC011237242 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.380 CCCc1ccccc1NC(=O)C CSC011253081 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.380 CCOc1ccccc1NC(=O)C CSC000152242 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.589 CC(C)c1ccccc1NC(=O)C CSC000155373 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.2135 CCc1cccc(c1NC(=O)C)C CSC000153986 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.141 CCOc1ccc(cc1C(=O)C)Br CSC000173016 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.141 CCOc1ccc(cc1C(=O)C)F CSC000173015 [0,2,0,0,0,0|2,0,0]=4 51 B13R1.356 CCOc1cc(ccc1C(=O)C)C CSC000241638 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.356 CCOc1cc(ccc1C(=O)C)F CSC011802305 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.382 CCSc1ccccc1C(=O)NC CSC000019822 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.572 CCCOc1ccccc1C(=O)C CSC000173325 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.57 CCc1nccn1CC(=O)C CSC011473204 [0,0,1,1,0,0|0,0,2]=4 57 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,0,0,1,0,1|2,0,0]=4 58 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [1,0,0,0,1,0|2,0,0]=4 59 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [1,0,0,0,1,0|2,0,0]=4