0 B11R1.40 CSC(=S)CN1=CC=CC=C1 AA-516/25012082 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 AN-068/40184273 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.49 CNC(=S)NC1=CC=C(Cl)C=C1 AE-641/30147009 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.50 CNC(=O)OC1=CC=CC(Cl)=C1 AL-398/40365468 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.18 CN1C2=CC=CC=C2N=C1S AF-615/00097040 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.18 OC1C2=CC=CC=C2CC1Br AP-406/41269981 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@H]1Cl AC-082/25006749 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [0,0,0,0,1,0|1,0,1]=3 19 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AE-562/43286955 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 AI-942/25034561 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.157 CN(C)CC1=CC=CC(I)=C1 AE-562/43460444 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.157 NC(=O)CC1=CC=CC(F)=C1 AE-562/43460575 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.509 CC(C)(C)OC1=CN=CC=C1 AC-907/25004950 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 AP-065/40324499 [0,1,0,0,1,0|1,0,1]=4 29 B11R1.222 CNC(=O)C1=CC=CC=C1N AQ-360/40271990 [0,1,0,0,1,0|1,0,1]=4 30 B13R1.11 CCC(C)NC(C)C1=CC=CC=C1 AK-823/41252324 [0,1,0,0,0,1|1,0,0]=3 31 B13R1.351 CC(C)[C@H](C)NCC1=CC=CC=C1 AK-823/11404369 [0,1,0,0,0,1|1,0,0]=3 32 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 AD-266/40897092 [0,2,0,0,0,0|2,0,0]=4 33 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O AQ-917/42754496 [0,2,0,0,0,0|2,0,0]=4 34 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AE-641/30396016 [1,0,0,1,0,0|1,0,1]=4 35 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [1,0,0,1,0,0|1,0,1]=4 36 B11R2.40 NC1(C2=CC=CC=C2)CC1 AR-527/42979546 [0,0,0,1,1,0|2,0,0]=4 37 B13R2.57 OCC1CC2=CC=CC=C2CN1 AE-641/40197878 [0,0,0,1,0,1|2,0,0]=4 38 B13R2.31 O=C1CC([Se]C2=CC=CC=C2)N1 AK-564/25068015 [0,1,0,1,0,0|1,0,1]=4 39 B13R2.135 CCC1C2=C(C=CC=C2)NC1C AE-562/43459274 [0,1,0,1,0,0|2,0,0]=4 40 B13R2.3085 CN1C(=O)C(O)C2=C1C=CC=C2 AP-123/40171998 [0,1,0,1,0,0|1,0,1]=4 41 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 AQ-917/42754024 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.6 CN(C)C1=CC=NC=C1 AR-360/40355729 [1,0,0,0,1,0|2,0,0]=4 43 B9R1.6 CN(C)C1=CN=CC=C1 AF-807/00322051 [1,0,0,0,1,0|2,0,0]=4 44 B9R1.6 N=C(N)C1=CC=CC=C1 AE-641/30119009 [1,0,0,0,1,0|1,0,1]=4 45 B9R1.6 NC(=S)C1=CC=CC=C1 AO-840/40187641 [1,0,0,0,1,0|1,0,1]=4 46 B9R1.13 CN(C)C=C1C=CC=C1 AO-840/40768031 [1,0,0,0,1,0|1,0,1]=4 47 B13R1.718 CCC(C)NCCC1=CC=CC=C1 AK-823/41252327 [0,0,0,0,0,2|1,0,0]=3