0 B9R1.15 CC1=C(CN)C=CC=C1 AP-770/40653937 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=CC=CN=C1C#N AN-584/42118739 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 CCC1=C(C)C=CN=C1 AO-801/41077436 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CNC1=C(Cl)N=CC=C1 AC-907/34117030 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 COC1=C(Cl)N=CN=C1 AN-584/42206186 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.15 N#CC1=C(Br)C=CC=N1 AC-907/34104040 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 N#CC1=C(Br)N=CC=C1 AC-907/25004481 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 N#CC1=CC=CN=C1N AF-399/40963073 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 NC1=C(C=O)C=CC=N1 AA-516/30054004 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 OCC1=C(O)C=CC=N1 AJ-333/25006072 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 COC1=NC=CC=N1 AC-907/25004440 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.2 COC1=NN=CC=N1 AE-842/32231045 [1,0,0,0,0,0|1,1,0]=3 12 B8R1.2 CSC1=NN=CC=N1 AC-907/34115025 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 N#CC1=CN=CC=C1 AC-907/25014098 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.5 BrC1=C(Br)N=CC=C1 AC-907/25004341 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.5 CC1=C(Br)N=CC=C1 AC-907/30003020 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.5 CC1=C(O)N=CC=N1 AC-907/34116029 [1,0,0,0,0,0|0,1,0]=2 18 B8R1.5 CC1=CC=CC=[N+]1C AC-907/25004712 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 CC1=NC=CC=C1Br AN-584/43273903 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.5 CC1=NC=CC=C1O AQ-344/40575762 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.5 CN1C=CC=NC1=O AC-907/30003031 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.5 ClC1=C(Br)C=CC=N1 AC-907/25004333 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.5 ClC1=C(Cl)N=CC=C1 AF-834/25002667 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.5 ClC1=C(I)C=CC=N1 AJ-333/25006075 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.5 NC1=C(Br)C=CC=N1 AC-907/34116001 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.5 NC1=C(Br)N=CC=C1 AC-907/25004397 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.5 NC1=C(Cl)N=CC=C1 AC-907/25014052 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.5 NC1=C(O)N=CC=C1 AE-641/00363028 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.5 NC1=CC=CN=C1N AC-907/25014077 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.5 NC1=NC=CC=C1Cl AF-399/40963070 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.5 OC1=C(Br)N=CC=C1 AC-907/30002046 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.5 OC1=C(Cl)C=CC=N1 AC-907/34115049 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.5 OC1=C(I)N=CC=C1 AC-907/30003006 [1,0,0,0,0,0|2,1,0]=4 34 B8R1.5 OC1=C(O)N=CC=C1 AC-907/25014062 [1,0,0,0,0,0|2,1,0]=4 35 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [0,1,0,0,0,0|2,1,0]=4 36 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [0,1,0,0,0,0|2,1,0]=4 38 B10R1.20 CNC1=NC=CN=C1C#N AQ-917/41583898 [0,1,0,0,0,0|1,0,1]=3 39 B10R1.20 COC1=C(C#N)N=CC=N1 AQ-917/42753965 [0,1,0,0,0,0|0,1,1]=3 40 B10R1.20 N#CC1=C(C#N)N=CC=N1 AE-017/30096020 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.25 CC1=CN=C(C#N)C(C)=C1 AN-584/43363398 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.25 CNC1=C(Br)N=C(Br)C=C1 AC-907/25004523 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.25 COC1=C(Br)N=C(C)C=C1 AN-584/11435654 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.25 COC1=CC=C(C)N=C1Cl AN-584/43303032 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.25 COC1=CC=C(C)N=C1I AN-584/43294057 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.25 COC1=CC=C(C)N=C1N AP-501/43408348 [0,1,0,0,0,0|2,1,0]=4 47 B10R1.61 CC1=NC=CC=C1C(=O)O AO-801/41077423 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.61 NC1=NC=CN=C1C(=O)O AB-323/25048525 [0,1,0,0,0,0|3,0,0]=4 49 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.11 CN1C=CN=C1CCl AC-907/25004454 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.11 CN1C=CN=C1CO AE-848/30896059 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.11 COC1=NON=C1N AG-205/25005622 [0,0,0,0,1,0|2,1,0]=4 53 B7R1.3 IC1=CN=CC=C1 AC-907/30003005 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.3 NC1=CC=CC=N1 AC-907/25014346 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.3 NC1=CN=CC=C1 AC-907/25014070 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.3 NC1=CN=CC=N1 AC-907/25014024 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.3 NC1=NN=CC=N1 AO-040/25080001 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 OC1=CC=CC=N1 AC-907/25014059 [2,0,0,0,0,0|1,1,0]=4 59 B7R1.3 OC1=CN=CC=C1 AC-907/25014060 [2,0,0,0,0,0|1,1,0]=4 60 B7R1.3 OC1=CN=CC=N1 AC-907/25004286 [2,0,0,0,0,0|0,1,0]=3 61 B7R1.3 [O-]C1=CN=CC=N1 AC-907/25004285 [2,0,0,0,0,0|0,1,0]=3 62 B9R1.1 CCC1=CC=C(C)N=C1 AC-907/25014214 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 COC1=CC=C(Br)C=N1 AC-907/25004518 [1,1,0,0,0,0|1,1,0]=4 64 B9R1.1 COC1=CC=C(N)C=N1 AO-080/40859930 [1,1,0,0,0,0|1,1,0]=4 65 B9R1.2 CNC1=CC=CC(Cl)=N1 AC-907/25004545 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 CNC1=NC(Br)=CC=C1 AN-584/43416474 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 COC1=CC(Br)=CN=C1 AC-907/25004516 [1,1,0,0,0,0|1,1,0]=4 68 B9R1.2 COC1=CC(Cl)=CN=C1 AN-584/42206185 [1,1,0,0,0,0|1,1,0]=4 69 B9R1.2 CSC1=NC=CC(C)=N1 AR-527/42979548 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.2 CSC1=NC=CC(O)=N1 AB-323/25048187 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 CSC1=NN=CC(N)=N1 AC-907/25004304 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.6 CN(C)C1=CN=CC=C1 AF-807/00322051 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.6 NC(=O)C1=NC=CN=C1 AC-907/25014068 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [1,1,0,0,0,0|1,1,0]=4 77 B9R1.8 ClCSC1=NC=CC=N1 AF-399/25108085 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.8 N#CSC1=CN=CC=N1 AC-907/34115041 [1,1,0,0,0,0|0,0,1]=3 79 B9R1.69 CC1=C(Br)C=C(Br)C=N1 AC-907/25004503 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.69 CC1=C(Br)C=CC(N)=N1 AC-907/30003055 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.69 CC1=C(Br)N=CC(Br)=C1 AC-907/30003010 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.69 CC1=C(N)N=CC(Br)=C1 AC-907/30003004 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.69 CC1=CC(C)=C(Br)N=C1 AC-907/25004664 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.69 CC1=CC=C(C)C(C)=N1 AO-801/41077394 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.69 CC1=NC(C)=C(Br)C=C1 AC-907/34118035 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.69 CC1=NC(C)=C(N)C=C1 AJ-333/36120002 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.14 CSC1=C[Se]C=C1SC AI-942/25034291 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.27 CCN1C(Cl)=CN=C1C AC-907/25014142 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.33 CC1=NC=CN1CCO AG-777/43491538 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.33 CSCC1=C(C)NC=N1 AL-398/25017025 [0,1,0,0,1,0|0,0,1]=3 91 B11R1.222 COC(=O)C1=C(N)N=CC=N1 AB-323/25048520 [0,2,0,0,0,0|1,1,0]=4 92 B11R1.37 CSC1=NC(C)=CC=C1C#N AM-807/25099028 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.53 CSC1=NC=CC=C1C(=O)O AJ-333/25022068 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.277 CC1=NC(C)=C(C)N=C1C=O AR-690/43422895 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.464 CSC1=C(C)C=C(N)C=C1C AE-562/43460656 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.1 CNC1=NC=CS1 AN-584/41682965 [1,0,0,0,1,0|2,0,0]=4 97 B7R1.4 CC1=C(C)NC=N1 AC-907/34124054 [1,0,0,0,1,0|0,0,1]=3 98 B7R1.4 CC1=CC=NN1C AC-907/34116052 [1,0,0,0,1,0|1,0,0]=3 99 B7R1.4 CN1C=CN=C1I AG-777/25006424 [1,0,0,0,1,0|2,0,0]=4 100 B7R1.4 CN1C=CN=C1N AE-848/31013002 [1,0,0,0,1,0|2,0,0]=4