0 B13R1.42 CCOC(=O)\C=N\C1=CC=CC=C1 AB-321/43115237 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [1,0,0,0,0,0|1,0,1]=3 2 B12R1.27 NNC(=O)\C=C\C1=CC=CN=C1 AO-289/42804217 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=N1 AC-907/34127018 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 AE-562/43460398 [0,1,0,0,0,0|2,0,1]=4 5 B14R2.21 O=C1C=COC(C2=CC=CC=C2)=C1 AO-801/40198759 [0,0,0,1,0,0|2,0,1]=4 6 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 AQ-917/42754009 [0,0,0,1,0,0|3,0,0]=4 7 B14R2.203 CC1=CC=C2C=CC=CC2=C1CCl AB-131/40897096 [0,0,0,1,0,0|3,0,0]=4 8 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [0,0,0,0,1,0|1,0,1]=3 9 B12R1.32 CCOC(=O)C[N+]1=NC=CC=C1 AQ-405/41473609 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.32 CCOC(=O)NC1=NC=CC=C1 AC-907/25004804 [0,0,0,0,1,0|2,0,0]=3 11 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 AE-641/00386063 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [2,0,0,0,0,0|0,0,2]=4 13 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AA-516/30131001 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 AF-961/00496050 [2,0,0,0,0,0|1,0,1]=4 17 B13R1.337 CS(=O)\C=C\C=C\C1=CC=CC=C1 AK-823/41252409 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 AE-562/12222058 [1,1,0,0,0,0|0,0,2]=4 19 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AB-131/40027014 [1,1,0,0,0,0|0,0,0]=2 20 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 AG-205/06379040 [1,1,0,0,0,0|0,0,0]=2 21 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 AG-690/03019022 [1,1,0,0,0,0|0,0,0]=2 22 B13R1.14 NNC(=O)\C=C\C1=CC=C(O)C=C1 AO-289/42804179 [1,1,0,0,0,0|2,0,0]=4 23 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [1,1,0,0,0,0|0,0,2]=4 24 B13R1.351 CN(C)C(=O)\C=C\C1=CC=CC=C1 AE-641/00363013 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.528 COC(=O)C#CC1=C(Cl)C=CC=C1 AE-562/12222054 [1,1,0,0,0,0|0,0,2]=4 26 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 AO-080/43342877 [0,1,0,0,1,0|0,0,1]=3 27 B13R1.19 CCOC(=S)NC1=CC=C(C)C=C1 AE-562/43458328 [0,1,0,0,1,0|1,1,0]=4 28 B13R1.20 CCOC(=O)CC1=CC=CC(C)=N1 AC-907/43099645 [0,1,0,0,1,0|1,0,1]=4 29 B13R1.20 CCOC(=S)NC1=CC(C)=CC=C1 AE-562/43458329 [0,1,0,0,1,0|1,1,0]=4 30 B13R1.47 CCOC(=O)C(Br)C1=CC=NC=C1 AN-584/43416477 [0,1,0,0,1,0|1,0,1]=4 31 B13R1.348 CC(O)CC(=O)NC1=CC=CC=C1 AO-435/42299917 [0,1,0,0,1,0|2,0,0]=4 32 B13R1.470 CCOC(=O)CN1C=CC=CC1=O AE-641/00175010 [0,1,0,0,1,0|1,0,1]=4 33 B13R1.470 CCOC(=O)C[N+]1=CC=CC=C1C AC-907/30063027 [0,1,0,0,1,0|1,0,1]=4 34 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 AO-310/25058001 [0,1,0,0,0,1|0,0,2]=4 35 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(O)C=C1 AN-584/43416475 [0,2,0,0,0,0|0,0,1]=3 36 B15R1.24 CCOC(=O)CC(=O)C1=CC(O)=CC=C1 AN-584/43507462 [0,2,0,0,0,0|0,0,1]=3 37 B15R1.807 CCOC(=O)CS(=O)(=O)C1=CC=CC=C1 AF-731/00081030 [0,2,0,0,0,0|1,0,1]=4 38 B15R1.49 CCOC(=O)C(=O)NC1=CC(Cl)=CC=C1 AG-690/15438541 [0,2,0,0,0,0|1,0,0]=3 39 B15R1.48 CCOC(=O)C(N)CC1=CC=C(O)C=C1 AE-641/02458038 [0,2,0,0,0,0|0,0,2]=4 40 B15R1.791 CCOC(=O)COC1=CC=C(Cl)C=C1Br AO-365/14392001 [0,2,0,0,0,0|1,0,1]=4 41 B15R1.793 CCOC(=O)CNC1=CC=C(OC)C=C1 AN-584/14544007 [0,2,0,0,0,0|1,0,1]=4 42 B15R1.488 CCN(CC)C(=O)\C=C\C1=CC=CC=C1 AD-266/13254035 [0,2,0,0,0,0|1,0,0]=3 43 B13R2.1613 CC[N+]1=C2C=CC=CC2=NC=C1 AC-907/25005043 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AI-031/31962041 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.10 O=C1C=C(C2=CC=CC=N2)CS1 AI-942/42302134 [1,0,0,1,0,0|1,1,0]=4 46 B13R2.10 O=C1C=[N+](C2=CC=CC=C2)[N-]O1 AB-131/25126030 [1,0,0,1,0,0|2,0,0]=4 47 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 AC-907/34123035 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 AO-840/40233519 [1,0,0,1,0,0|1,0,0]=3 49 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 AK-830/25033058 [1,0,0,1,0,0|2,0,0]=4 50 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1N AC-907/25005040 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [1,0,0,1,0,0|1,0,0]=3 53 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [1,0,0,1,0,0|1,1,0]=4 54 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 AR-438/40240582 [0,0,0,1,1,0|2,0,0]=4 55 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 AN-068/14539028 [0,0,0,1,0,1|0,0,0]=2 56 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 AE-848/00900039 [0,0,0,1,0,1|0,0,2]=4 57 B15R2.886 CCOC1=CC(Br)=C2C=CC=CC2=N1 AC-907/25005114 [0,1,0,1,0,0|1,0,0]=3 58 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 AQ-918/42745346 [0,1,0,1,0,0|1,0,0]=3 59 B15R2.38 O=C1NCCC\C1=C/C2=CC=CC=C2 AR-527/43363311 [0,1,0,1,0,0|1,0,0]=3 60 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 AF-966/00545036 [0,1,0,1,0,0|0,0,0]=2 61 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 AI-204/31692003 [0,1,0,1,0,0|1,0,0]=3 62 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 AK-249/36420010 [0,1,0,1,0,0|1,0,0]=3 63 B15R2.352 BrCCOC1=CC=C2C=CC=CC2=C1 AE-641/30196045 [0,1,0,1,0,0|1,0,0]=3 64 B15R2.2220 CCOC1=NC=C2C=CC=CC2=C1Cl AC-907/25005116 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.25 COC(=O)\C=C\C1=CC=CS1 AE-562/40245922 [1,0,0,0,1,0|1,0,0]=3 66 B11R1.40 COC(=O)NC1=CC=NC=C1 AN-584/40385585 [1,0,0,0,1,0|2,0,0]=4 67 B11R1.16 CCOC(=O)C1=CN=CN=C1 AN-584/41417189 [0,0,0,0,2,0|2,0,0]=4 68 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [0,0,0,0,2,0|2,0,0]=4 69 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [0,0,0,0,2,0|1,1,0]=4