0 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 AQ-917/42754009 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.112 N#CCC1=CC=C2C=CC=CC2=C1 AC-907/25014298 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.112 N#CC[N+]1=CC2=CC=CC=C2C=C1 AQ-405/42300537 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [1,0,0,0,0,0|0,0,0]=1 5 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [1,0,0,0,0,0|0,1,0]=2 6 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 AH-034/11364159 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 AE-477/25037015 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.57 OCC1=CNC2=C(C=CC=C2)N1 AE-641/25069029 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.352 BrCCOC1=CC=C2C=CC=CC2=C1 AE-641/30196045 [0,1,0,0,0,0|0,0,0]=1 10 B15R2.352 OCC#CC1=CN=C2C=CC=CC2=C1 AN-919/40843343 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.886 CCOC1=CC(Br)=C2C=CC=CC2=N1 AC-907/25005114 [0,1,0,0,0,0|1,0,0]=2 12 B15R2.888 ClCCC1=CC2=CC=CC=C2N=C1Cl AN-829/25073011 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 AG-205/06748049 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.1601 CSC(=S)C1=CC2=CC=CC=C2C=C1 AB-131/25126017 [0,1,0,0,0,0|2,0,0]=3 15 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 AN-068/40771566 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.2220 CCOC1=NC=C2C=CC=CC2=C1Cl AC-907/25005116 [0,1,0,0,0,0|1,0,0]=2 17 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 AQ-918/42745346 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.42 CCOC(=O)\C=N\C1=CC=CC=C1 AB-321/43115237 [0,0,1,0,0,0|2,0,0]=3 19 B13R2.1 NCCC1=CNC2=CC=CC=C12 AE-848/30735051 [0,0,0,0,1,0|3,0,0]=4 20 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 AE-641/00387012 [0,0,0,0,1,0|2,1,0]=4 21 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [1,0,1,0,0,0|1,0,1]=4 22 B12R2.24 BrC1=CC2=CC=CC=[N+]2C=C1 AQ-405/42300594 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [2,0,0,0,0,0|2,0,0]=4 24 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AG-205/12083031 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 AC-907/25014225 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-907/25004858 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 CC1=CC2=CC=CN=C2C=C1 AC-907/25014269 [2,0,0,0,0,0|1,0,0]=3 28 B12R2.24 C[N+]1=CC2=CC=CN=C2C=C1 AC-907/34120060 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 FC1=CC2=NC=CC=C2C=C1 AF-753/00317059 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.24 NC1=CC2=CC=CN=C2C=C1 AC-907/25014243 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 NC1=CN=C2C=CC=CC2=C1 AH-034/32464043 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [2,0,0,0,0,0|1,0,1]=4 35 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [2,0,0,0,0,0|0,0,0]=2 37 B12R2.24 OC1=CC2=CC=CN=C2C=C1 AC-907/25014237 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.24 OC1=CC=[N+]2C=CC=CC2=C1 AN-584/43493900 [2,0,0,0,0,0|1,0,0]=3 39 B12R2.24 OC1=CN=C2C=CC=CC2=C1 AE-907/30839031 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AB-323/25048501 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [2,0,0,0,0,0|0,1,0]=3 42 B12R2.24 [O-][N+]1=CC2=C(C=CC=C2)C=C1 AC-907/25014238 [2,0,0,0,0,0|1,0,1]=4 43 B14R2.92 N#CC1=C(N)C2=C(C=CC=C2)C=C1 AE-562/43287003 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.92 O=CC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/03232057 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AB-131/42300975 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.134 COC1=CC2=C[N+]([O-])=CC=C2C=C1 AP-406/41885695 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.781 BrC(Br)C1=CC=C2C=CC=CC2=N1 AC-907/25004986 [1,1,0,0,0,0|2,0,0]=4 48 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 AC-907/25014303 [1,1,0,0,0,0|0,0,1]=3 49 B14R2.781 C[C@H](N)C1=CC=C2C=CC=CC2=C1 AI-942/25034862 [1,1,0,0,0,0|0,0,0]=2 50 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 AE-508/40228340 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 AE-562/43461399 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)N1 AE-848/33831006 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.1019 O=C1C=C(CO)OC2=C1C=CC=C2 AK-928/14102004 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.1128 OCC1=C(Cl)N=C2C=CC=CC2=C1 AE-641/00425011 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1I AP-065/43441418 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=C1 AB-131/42300931 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 AR-683/40724488 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.95 CCC(=O)C1=CNC2=C1C=CC=C2 AH-357/02184028 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.6400 CCOC1=CC2=C(C=C1)NC(S)=N2 AN-829/25059001 [0,1,0,0,1,0|2,0,0]=4 60 B16R2.477 O=C(O)CCC1=CC=C2C=CC=CC2=C1 AE-641/02440045 [0,2,0,0,0,0|1,0,1]=4 61 B16R2.477 O=C(O)COC1=CC=C2C=CC=CC2=C1 AC-907/25014305 [0,2,0,0,0,0|0,0,1]=3 62 B16R2.2942 BrCCOC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/30106060 [0,2,0,0,0,0|0,0,0]=2 63 B16R2.83538 CC(=O)NC1=CC=C2C=CC=CC2=C1Br AG-205/04555023 [0,2,0,0,0,0|1,0,1]=4 64 B14R2.7150 CSCC1=CC=CC2=CC=CC=C21 AQ-917/42754694 [0,0,1,1,0,0|2,0,0]=4 65 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 AQ-917/40233986 [0,0,1,1,0,0|2,0,0]=4 66 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 AC-082/25006734 [0,0,0,1,1,0|2,0,0]=4 67 B16R3.17392 O=C1CCC2=CC=C3C=CC=CC3=C12 AE-641/02440048 [0,1,0,1,0,0|1,0,1]=4 68 B16R3.2754 O=C1C2=C(C=CC=C2)NC3=C1CCO3 AH-262/01744042 [0,1,0,1,0,0|1,0,0]=3 69 B16R3.2754 O=C1C2=CC=CC=C2OC3=C1CCC3 AO-800/41069599 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 AE-641/01658056 [1,0,0,0,1,0|2,0,0]=4 71 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 AN-068/25067013 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [1,0,0,0,1,0|1,0,0]=3 73 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [1,0,0,0,1,0|1,0,0]=3