0 B10R1.17 Cl\C=C\C[N+]1=CC=CC=C1 AO-840/42718062 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 N#CC[N+]1=CC=CC=C1 AA-516/25012031 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 O\N=C\C1=NC=CC=C1 AQ-405/40177765 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 C=CCOC1=CC=C(O)C=C1 AK-087/42718133 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AC-907/25014239 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.17 CC1=C(OCCN)C=CC=C1 AE-641/00657056 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.17 N#CCNC1=CC=CC=C1N AC-907/25004797 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.24 CCCOC1=NC(N)=CC=C1 AC-907/34120018 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.40 COC(=O)NC1=CC=NC=C1 AN-584/40385585 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 CSC(=S)CN1=CC=CC=C1 AA-516/25012082 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.91 N=C(N)SCC1=CC=CC=C1 AC-907/25004812 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [0,1,0,0,0,0|3,0,0]=4 21 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [0,0,0,1,0,0|2,0,1]=4 22 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.2 COC1=NC=CC=N1 AC-907/25004440 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-907/25004667 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 O\N=C\C1=CC=C(O)C=C1 AF-753/00286030 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 NC1=C(\C=N\O)C=CC=C1 AA-516/30035028 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.10 CCOC1=CC(Br)=CN=C1 AC-907/25004452 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.10 CCOC1=CC(N)=CC=N1 AC-907/34119014 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CCOC1=CC=NC(Br)=C1 AC-907/25004669 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 CCOC1=CC=NC(Cl)=C1 AC-907/25004672 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CCOC1=CC=NC(N)=C1 AC-907/34124050 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 CCOC1=CN=CC(O)=C1 AE-842/00015017 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCOC1=NC(Br)=CC=C1 AC-907/25005382 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.15 COC(=O)C1=CN=CC=C1 AC-907/25014170 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 AA-516/30035027 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 AE-562/43460369 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AE-641/00345037 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AQ-358/40179730 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.267 CCCCOC1=C(Cl)C=CC=N1 AC-907/25004944 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.371 COC(=O)NC1=C(O)C=CC=C1 AJ-087/25124002 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 AE-562/43460511 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AE-562/43460517 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AJ-087/41885649 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 AE-641/00196031 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AN-651/40987637 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.8 ClCCCNCC1=CC=CC=C1 AN-584/43416476 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,2,0,0,0,0|0,0,1]=3 66 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AJ-087/40299913 [0,2,0,0,0,0|2,0,0]=4 68 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.24 O=C1C[N+]2=C(C=CC=C2)CO1 AQ-405/42300539 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.2 C1=CC=C([S+]2CCCC2)N=C1 AN-967/25120017 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AB-131/40347218 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.1081 OC1=CC=CC2=C1NCCC2 AF-399/25108090 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 AE-848/00220058 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.18 OC1C2=CC=CC=C2CC1Br AP-406/41269981 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@H]1Cl AC-082/25006749 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.8 OCCC1=NC=CN1 AR-527/43293965 [1,0,0,0,1,0|2,0,0]=4