0 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 207a_100000742409_100000261162 [0,0,0,0,0,0|2,0,1]=3 1 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 2230a_200000416717_100000754308 [0,0,0,0,0,0|2,0,1]=3 2 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 270004a_100000742409_100000261162 [0,0,0,0,0,0|2,0,1]=3 3 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 34a_200000416717_100000754308 [0,0,0,0,0,0|2,0,1]=3 4 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)N 2230a_200000416717_100000750626 [0,0,0,0,0,0|2,0,1]=3 5 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)N 34a_200000416717_100000750626 [0,0,0,0,0,0|2,0,1]=3 6 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)[O-] 34a_200000416717_100009813499 [0,0,0,0,0,0|1,0,2]=3 7 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCC[N+](C)(C)C 2230a_200000416717_100016990835 [0,0,0,0,0,0|3,1,0]=4 8 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCC[N+](C)(C)C 34a_200000416717_100016990835 [0,0,0,0,0,0|3,1,0]=4 9 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCC[Si](O)(O)O 207a_100000066040_100000261162 [0,0,0,0,0,0|1,0,1]=2 10 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCNS(=O)(=O)C 207a_100000752411_100000261162 [0,0,0,0,0,0|3,0,1]=4 11 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCNS(=O)(=O)C 2230a_200000416717_100000754112 [0,0,0,0,0,0|3,0,1]=4 12 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCNS(=O)(=O)C 270004a_100000752411_100000261162 [0,0,0,0,0,0|3,0,1]=4 13 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCOS(=O)(=O)C 2230a_200000416717_200000036756 [0,0,0,0,0,0|3,0,1]=4 14 B24R1.16391 CCCCCCCCOc1ccc(cc1)CNCCOS(=O)(=O)C 34a_200000416717_200000036756 [0,0,0,0,0,0|3,0,1]=4 15 B23R1.76 CCCCCCCCOc1ccc(cc1)CNC/C=C/B(O)O 2230a_200000416717_100016262062 [1,0,0,0,0,0|1,0,2]=4 16 B23R1.76 CCCCCCCCOc1ccc(cc1)CNC/C=C/B(O)O 34a_200000416717_100016262062 [1,0,0,0,0,0|1,0,2]=4 17 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)C 34a_200000416717_100000685027 [1,0,0,0,0,0|2,0,0]=3 18 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)N 34a_200000416717_100102525003 [1,0,0,0,0,0|2,0,0]=3 19 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCC(C)O 2230a_200000416717_200000718107 [1,0,0,0,0,0|2,0,0]=3 20 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCC(C)O 34a_200000416717_200000718107 [1,0,0,0,0,0|2,0,0]=3 21 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCN(C)C 207a_102531767803_100000261162 [1,0,0,0,0,0|2,1,0]=4 22 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCN(C)C 270004a_102531767803_100000261162 [1,0,0,0,0,0|2,1,0]=4 23 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)C 207a_200000753449_100000261162 [1,0,0,0,0,0|2,0,0]=3 24 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCCS(=O)C 270004a_200000753449_100000261162 [1,0,0,0,0,0|2,0,0]=3 25 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCNC(=O)C 207a_100000209853_100000261162 [1,0,0,0,0,0|3,0,0]=4 26 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCNC(=O)C 2230a_200000416717_100000189650 [1,0,0,0,0,0|3,0,0]=4 27 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCNC(=O)N 207a_100020590234_100000261162 [1,0,0,0,0,0|3,0,0]=4 28 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCNC(=O)N 2230a_200000416717_200000034859 [1,0,0,0,0,0|3,0,0]=4 29 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCOC(=O)C 34a_200000416717_100009814007 [1,0,0,0,0,0|3,0,0]=4 30 B23R1.76 CCCCCCCCOc1ccc(cc1)CNCCOC(=O)N 34a_200000416717_200011214921 [1,0,0,0,0,0|3,0,0]=4 31 B23R1.76 CCCCCCCCOc1ccc(cc1)NCCCCB(O)O 2230a_200000292040_200009817182 [1,0,0,0,0,0|3,0,0]=4 32 B23R1.76 CCCCCCCCOc1ccc(cc1)NCCCCB(O)O 34a_200000292040_200009817182 [1,0,0,0,0,0|3,0,0]=4 33 B23R1.76 CCCCCCCCOc1ccc(cc1)NCCCCB(O)O 7a_200000292040_200009817182 [1,0,0,0,0,0|3,0,0]=4 34 B23R1.76 CCCCCCCCOc1ccc(cc1)OCCCCB(O)O 34a_100000261350_200009817182 [1,0,0,0,0,0|3,0,0]=4 35 B23R1.76 CCCCCCCCOc1ccc(cc1)OCCCCB(O)O 7a_100000261350_200009817182 [1,0,0,0,0,0|3,0,0]=4 36 B23R1.76 CCCCCCCCOc1ccc(cc1)SCCCCB(O)O 62a_200009817182_100103168737 [1,0,0,0,0,0|3,0,0]=4 37 B23R1.19699 CCCCCCCCc1ccc(cc1)CNCCCS(=O)(=O)C 2230a_200010007124_100000754308 [1,0,0,0,0,0|2,0,1]=4 38 B23R1.19699 CCCCCCCCc1ccc(cc1)CNCCCS(=O)(=O)C 34a_200010007124_100000754308 [1,0,0,0,0,0|2,0,1]=4 39 B23R1.19699 CCCCCCCCc1ccc(cc1)CNCCCS(=O)(=O)N 2230a_200010007124_100000750626 [1,0,0,0,0,0|2,0,1]=4 40 B23R1.19699 CCCCCCCCc1ccc(cc1)CNCCCS(=O)(=O)N 34a_200010007124_100000750626 [1,0,0,0,0,0|2,0,1]=4 41 B23R1.19699 CCCCCCCCc1ccc(cc1)CNCCCS(=O)(=O)[O-] 34a_200010007124_100009813499 [1,0,0,0,0,0|1,0,2]=4 42 B23R1.19699 CCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 207a_100000742409_100000189358 [1,0,0,0,0,0|2,0,1]=4 43 B23R1.19699 CCCCCCCOc1ccc(cc1)CNCCCS(=O)(=O)C 270004a_100000742409_100000189358 [1,0,0,0,0,0|2,0,1]=4 44 B23R1.19699 CCCCCCCOc1ccc(cc1)CNCCC[Si](O)(O)O 207a_100000066040_100000189358 [1,0,0,0,0,0|1,0,1]=3 45 B25R1.14304 CCCCCCCCOc1ccc(cc1)C(C)NCCCS(=O)(=O)C 269862a_100000742409_100000637910 [0,1,0,0,0,0|2,0,1]=4 46 B25R1.14376 CCCCCCCCOc1ccc(cc1)CNCC(O)CS(=O)(=O)[O-] 34a_200000416717_100016993520 [0,1,0,0,0,0|1,0,2]=4 47 B25R2.376104 CCCCCCCCOc1ccc(cc1)CN2CCCC(C2)(C)O 26a_100000695535_100000261350 [0,0,0,1,0,0|3,0,0]=4 48 B25R2.376104 CCCCCCCCOc1ccc(cc1)CN2CCCC(C2)(C)O 270004a_100000695535_100000261162 [0,0,0,1,0,0|3,0,0]=4 49 B25R2.376157 CCCCCCCCOc1ccc(cc1)CNC2CCS(=O)(=O)C2 207a_100000683523_100000261162 [0,0,0,1,0,0|2,0,1]=4 50 B25R2.376157 CCCCCCCCOc1ccc(cc1)CNC2CCS(=O)(=O)C2 270004a_100000683523_100000261162 [0,0,0,1,0,0|2,0,1]=4 51 B25R2.9924833 CCCCCCCCOc1ccc(cc1)CNC[C@H]2C[C@@](C2)(C)O 207a_100015257651_100000261162 [0,0,0,1,0,0|3,0,0]=4 52 B25R2.9924833 CCCCCCCCOc1ccc(cc1)CNC[C@H]2C[C@@](C2)(C)O 270004a_100015257651_100000261162 [0,0,0,1,0,0|3,0,0]=4 53 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCC(C)(C)O 207a_100000707701_100000261162 [0,0,0,0,1,0|3,0,0]=4 54 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCC(C)(C)O 2230a_200000416717_100000702414 [0,0,0,0,1,0|3,0,0]=4 55 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCC(C)(C)O 270004a_100000707701_100000261162 [0,0,0,0,1,0|3,0,0]=4 56 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCC(C)(C)O 34a_200000416717_100000702414 [0,0,0,0,1,0|3,0,0]=4 57 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)C 207a_100000740961_100000261162 [0,0,0,0,1,0|2,0,1]=4 58 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)C 2230a_200000416717_100000731031 [0,0,0,0,1,0|2,0,1]=4 59 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)C 270004a_100000740961_100000261162 [0,0,0,0,1,0|2,0,1]=4 60 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)C 34a_200000416717_100000731031 [0,0,0,0,1,0|2,0,1]=4 61 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)N 207a_100000738205_100000261162 [0,0,0,0,1,0|2,0,1]=4 62 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)N 270004a_100000738205_100000261162 [0,0,0,0,1,0|2,0,1]=4 63 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)[O-] 2230a_200000416717_100000737633 [0,0,0,0,1,0|1,0,2]=4 64 B23R1.17696 CCCCCCCCOc1ccc(cc1)CNCCS(=O)(=O)[O-] 34a_200000416717_100000762736 [0,0,0,0,1,0|1,0,2]=4 65 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)C 2230a_200000292040_100000754308 [0,0,0,0,1,0|2,0,1]=4 66 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)C 34a_200000292040_100000754308 [0,0,0,0,1,0|2,0,1]=4 67 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)C 7a_200000292040_100000754308 [0,0,0,0,1,0|2,0,1]=4 68 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)N 2230a_200000292040_100000750626 [0,0,0,0,1,0|2,0,1]=4 69 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)N 34a_200000292040_100000750626 [0,0,0,0,1,0|2,0,1]=4 70 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)N 7a_200000292040_100000750626 [0,0,0,0,1,0|2,0,1]=4 71 B23R1.17696 CCCCCCCCOc1ccc(cc1)NCCCS(=O)(=O)[O-] 34a_200000292040_100009813499 [0,0,0,0,1,0|1,0,2]=4 72 B22R1.147 C#CCCCNCc1ccc(cc1)OCCCCCCCC 207a_100000718082_100000261162 [2,0,0,0,0,0|2,0,0]=4 73 B22R1.147 C#CCCCNCc1ccc(cc1)OCCCCCCCC 2230a_200000416717_100000731252 [2,0,0,0,0,0|2,0,0]=4 74 B22R1.147 C#CCCCNCc1ccc(cc1)OCCCCCCCC 270004a_100000718082_100000261162 [2,0,0,0,0,0|2,0,0]=4 75 B22R1.147 C#CCCCNCc1ccc(cc1)OCCCCCCCC 34a_200000416717_100000695029 [2,0,0,0,0,0|2,0,0]=4 76 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCC#N 2230a_200000416717_100000687738 [2,0,0,0,0,0|2,0,0]=4 77 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCC=O 2230a_200000416717_200011292268 [2,0,0,0,0,0|1,0,0]=3 78 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCCO 207a_100000750430_100000261162 [2,0,0,0,0,0|1,0,0]=3 79 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCCO 2230a_200000416717_100000210776 [2,0,0,0,0,0|1,0,0]=3 80 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCCO 270004a_100000750430_100000261162 [2,0,0,0,0,0|1,0,0]=3 81 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCCO 34a_200000416717_100011216708 [2,0,0,0,0,0|1,0,0]=3 82 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCOC 207a_100150723488_100000261162 [2,0,0,0,0,0|2,0,0]=4 83 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCOC 2230a_200000416717_100000740836 [2,0,0,0,0,0|2,0,0]=4 84 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCOC 270004a_100150723488_100000261162 [2,0,0,0,0,0|2,0,0]=4 85 B22R1.147 CCCCCCCCOc1ccc(cc1)CNCCCOC 34a_200000416717_100000740836 [2,0,0,0,0,0|2,0,0]=4 86 B22R1.260 CCCCCCCCc1ccc(cc1)CNCCCC(=O)N 34a_200010007124_100102525003 [2,0,0,0,0,0|2,0,0]=4 87 B22R1.260 CCCCCCCCc1ccc(cc1)CNCCCC(C)O 2230a_200010007124_200000718107 [2,0,0,0,0,0|2,0,0]=4 88 B22R1.260 CCCCCCCCc1ccc(cc1)CNCCCC(C)O 34a_200010007124_200000718107 [2,0,0,0,0,0|2,0,0]=4 89 B22R1.260 CCCCCCCOc1ccc(cc1)CNCCCS(=O)C 207a_200000753449_100000189358 [2,0,0,0,0,0|2,0,0]=4 90 B22R1.260 CCCCCCCOc1ccc(cc1)CNCCCS(=O)C 270004a_200000753449_100000189358 [2,0,0,0,0,0|2,0,0]=4 91 B22R1.80840 CCCCCCCc1ccc(cc1)CNCCC[Si](O)(O)O 207a_100000066040_100009998032 [2,0,0,0,0,0|1,0,1]=4 92 B22R1.80840 CCCCCCOc1ccc(cc1)CNCCC[Si](O)(O)O 207a_100000066040_100000182703 [2,0,0,0,0,0|1,0,1]=4 93 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)NC 207a_100000740002_100000261162 [1,1,0,0,0,0|2,0,0]=4 94 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)NC 2230a_200000416717_100000741757 [1,1,0,0,0,0|2,0,0]=4 95 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)NC 270004a_100000740002_100000261162 [1,1,0,0,0,0|2,0,0]=4 96 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)NC 34a_200000416717_100000741757 [1,1,0,0,0,0|2,0,0]=4 97 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)OC 2230a_200000416717_100011218270 [1,1,0,0,0,0|1,0,0]=3 98 B24R1.16375 CCCCCCCCOc1ccc(cc1)CNCCCC(=O)OC 34a_200000416717_100000742333 [1,1,0,0,0,0|1,0,0]=3 99 B24R1.16434 CCCCCCCCOc1ccc(cc1)C(C)NCCCC(=O)N 269862a_100000739312_100000637910 [1,1,0,0,0,0|2,0,0]=4 100 B24R2.10141 CCCCCCCCOc1ccc(cc1)CN2CCCC(C2)O 26a_100000211013_100000261350 [1,0,0,1,0,0|2,0,0]=4 101 B24R2.10141 CCCCCCCCOc1ccc(cc1)CN2CCCC(C2)O 270004a_100000211013_100000261162 [1,0,0,1,0,0|2,0,0]=4 102 B24R2.10149 CCCCCCCCOc1ccc(cc1)CNC2CCC(C2)O 270004a_200000416717_100012614533 [1,0,0,1,0,0|2,0,0]=4 103 B24R2.10149 CCCCCCCCOc1ccc(cc1)CNC2COC(=O)O2 34a_200000416717_100000032252 [1,0,0,1,0,0|2,0,0]=4 104 B24R2.10149 CCCCCCCCOc1ccc(cc1)CN[C@H]2CC[C@H](C2)O 207a_100015195300_100000261162 [1,0,0,1,0,0|2,0,0]=4 105 B24R2.10149 CCCCCCCCOc1ccc(cc1)CN[C@H]2CC[C@H](C2)O 270004a_100015195300_100000261162 [1,0,0,1,0,0|2,0,0]=4 106 B24R2.310460 CCCCCCCCOc1ccc(cc1)CNCC2CC(=O)C2 2230a_200000416717_100009874392 [1,0,0,1,0,0|2,0,0]=4 107 B24R2.310460 CCCCCCCCOc1ccc(cc1)CNCC2CC(C2)O 207a_100016992100_100000261162 [1,0,0,1,0,0|2,0,0]=4 108 B24R2.310460 CCCCCCCCOc1ccc(cc1)CNCC2CC(C2)O 270004a_100016992100_100000261162 [1,0,0,1,0,0|2,0,0]=4 109 B24R2.310533 CCCCCCCCOc1ccc(cc1)CNCCCC2CO2 2230a_200000416717_100000733510 [1,0,0,1,0,0|2,0,0]=4 110 B24R2.310533 CCCCCCCCOc1ccc(cc1)CNCCCC2CO2 34a_200000416717_100000733510 [1,0,0,1,0,0|2,0,0]=4 111 B24R2.6487042 O[Si](O)(O)CCCNCc1ccc(cc1)OCC2CCCCC2 207a_100000066040_100000191186 [1,0,0,1,0,0|1,0,1]=4 112 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(=O)N 207a_100000740010_100000261162 [1,0,0,0,1,0|2,0,0]=4 113 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(=O)N 2230a_200000416717_100000744528 [1,0,0,0,1,0|2,0,0]=4 114 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(=O)N 34a_200000416717_100000731001 [1,0,0,0,1,0|2,0,0]=4 115 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(C)O 207a_200000755665_100000261162 [1,0,0,0,1,0|2,0,0]=4 116 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(C)O 2230a_200000416717_100012276601 [1,0,0,0,1,0|2,0,0]=4 117 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(C)O 270004a_200000755665_100000261162 [1,0,0,0,1,0|2,0,0]=4 118 B22R1.144 CCCCCCCCOc1ccc(cc1)CNCCC(C)O 34a_200000416717_100012276601 [1,0,0,0,1,0|2,0,0]=4 119 B22R1.144 CCCCCCCCOc1ccc(cc1)NCCCC(=O)N 34a_200000292040_100102525003 [1,0,0,0,1,0|2,0,0]=4 120 B22R1.144 CCCCCCCCOc1ccc(cc1)NCCCC(=O)N 7a_200000292040_100102525003 [1,0,0,0,1,0|2,0,0]=4 121 B24R1.29 CCCCCCCCOc1ccc(cc1)CNCCCNC(=O)C 207a_100000736810_100000261162 [1,0,0,0,0,1|2,0,0]=4 122 B24R1.29 CCCCCCCCOc1ccc(cc1)CNCCCNC(=O)C 270004a_100000736810_100000261162 [1,0,0,0,0,1|2,0,0]=4 123 B24R1.29 CCCCCCCCOc1ccc(cc1)CNCCCOC(=O)C 34a_200000416717_100000042594 [1,0,0,0,0,1|2,0,0]=4