0 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1c(=O)[nH]c(=O)[nH]n1 CHEBI:102328 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O CHEBI:17821 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.69 Cc1c[nH]c(=O)nc1N CHEBI:27551 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.69 Cc1ccc(c(c1)N)C CHEBI:518305 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1ccc(cc1N)N CHEBI:34237 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cn1ccc(=O)[nH]c1=O CHEBI:69445 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Br CHEBI:20552 [0,0,0,0,0,0|1,1,1]=3 9 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Cl CHEBI:60762 [0,0,0,0,0,0|1,1,1]=3 10 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F CHEBI:46345 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)I CHEBI:43636 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)O CHEBI:29115 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.69 c1c(c(nc(=O)[nH]1)N)F CHEBI:5100 [0,0,0,0,0,0|0,0,2]=2 14 B9R1.69 c1cc(c(cc1Cl)N)Cl CHEBI:34245 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.69 c1cc(c(cc1N)N)N CHEBI:29148 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 c1cc(c(cc1O)N)O CHEBI:13769 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.4 c1c(=O)[nH]c(=O)[nH]n1 CHEBI:53745 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.4 c1c[nH]c(=O)[nH]c1=O CHEBI:17568 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.4 c1c[nH]c(=O)nc1N CHEBI:16040 [1,0,0,0,0,0|0,0,2]=3 26 B8R1.4 c1c[nH]c(=S)[nH]c1=O CHEBI:348530 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.4 c1cnc(cc1N)N CHEBI:51599 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.4 c1cnc(nc1O)N CHEBI:55502 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.4 c1nc([nH]c(=O)n1)N CHEBI:72474 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.4 c1nc(nc(n1)N)N CHEBI:38071 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.5 Cc1ccccc1N CHEBI:66892 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.5 c1ccc(c(c1)F)F CHEBI:38583 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 c1cncc(c1I)N CHEBI:132363 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 c1cncc(c1O)O CHEBI:29053 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.22 C1(=O)C(=O)NC(=O)NC1=O CHEBI:76451 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.22 Cc1c(nc(nc1N)N)C CHEBI:38287 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.22 c1(c([nH]c(=O)[nH]c1=O)O)O CHEBI:132197 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.25 Cc1ncc(c(n1)N)CN CHEBI:44549 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.25 Cc1ncc(c(n1)N)CO CHEBI:16892 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.25 Cc1ncc(c(n1)N)C[NH3+] CHEBI:63416 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)C=O CHEBI:80961 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO CHEBI:16964 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.25 c1c(c(nc(=O)[nH]1)N)C=O CHEBI:76794 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.25 c1c(c(nc(=O)[nH]1)N)CO CHEBI:76792 [0,1,0,0,0,0|1,0,2]=4 52 B10R1.118 Cc1cn(c(=O)[nH]c1=O)C CHEBI:74765 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.118 c1c(c(=O)[nH]c(c1Cl)Cl)Cl CHEBI:83490 [0,1,0,0,0,0|2,1,0]=4 54 B10R1.119 Cc1c[nH]c(=O)n(c1=O)C CHEBI:74766 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.18 C1(=O)C(=O)NC(=O)N1 CHEBI:74661 [0,0,0,0,1,0|2,0,1]=4 57 B7R1.3 Cc1ccccn1 CHEBI:50415 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 Cc1cccnc1 CHEBI:39922 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.3 Cc1ccncc1 CHEBI:32547 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.3 c1c(cncn1)N CHEBI:38619 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [2,0,0,0,0,0|1,1,0]=4 62 B7R1.3 c1cc(cnc1)O CHEBI:87440 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.3 c1ccc(cc1)F CHEBI:5115 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.3 c1ccc(cc1)N CHEBI:17296 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.3 c1ccnc(c1)O CHEBI:16540 [2,0,0,0,0,0|1,0,1]=4 68 B7R1.3 c1ccnc(c1)S CHEBI:45223 [2,0,0,0,0,0|1,1,0]=4 69 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.3 c1cnc(nc1)N CHEBI:38618 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.3 c1cnc(nc1)O CHEBI:53577 [2,0,0,0,0,0|0,0,2]=4 72 B7R1.3 c1cnc(nc1)S CHEBI:53576 [2,0,0,0,0,0|0,1,1]=4 73 B7R1.3 c1cnccc1Br CHEBI:51576 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.3 c1cnccc1N CHEBI:34385 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.3 c1cnccc1O CHEBI:87614 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.3 c1cncnc1N CHEBI:38616 [2,0,0,0,0,0|0,0,1]=3 77 B9R1.2 CNc1cc[nH]c(=O)n1 CHEBI:21839 [1,1,0,0,0,0|0,0,2]=4 78 B9R1.2 COc1nccc(n1)N CHEBI:70854 [1,1,0,0,0,0|0,0,2]=4 79 B9R1.3 Cn1c(=O)cc[nH]c1=O CHEBI:74732 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.3 Cn1c(ccnc1=O)N CHEBI:39992 [1,1,0,0,0,0|0,0,0]=2 81 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 CHEBI:74733 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.34 c1c(nc(nc1N)N)N CHEBI:39857 [1,1,0,0,0,0|1,0,1]=4 83 B7R1.2 C1=CC(=O)NC1=O CHEBI:16072 [1,0,0,0,1,0|2,0,0]=4