0 B10R1.119 Cc1c(c(=O)ccn1C)O CHEBI:68554 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.119 Cc1ccc(c(c1C)C)C CHEBI:38997 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.119 Cn1c(=O)c(c(cn1)N)Cl CHEBI:83480 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.119 Cn1ccc(=O)n(c1=O)C CHEBI:74763 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.119 c1cc(c(c(c1Cl)O)O)Cl CHEBI:28318 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.119 c1cc(c(c(c1Cl)O)[O-])Cl CHEBI:77767 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.119 c1cc(c(c(c1O)O)Cl)Cl CHEBI:90882 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.3 Cc1c(cccc1N)N CHEBI:76288 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.3 Cc1cccc(c1C)C CHEBI:34037 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.3 Cc1cccc(c1N)C CHEBI:28738 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.3 Cc1cccc(c1O)O CHEBI:18404 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.3 Cn1c(=O)cc[nH]c1=O CHEBI:74732 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.3 c1cc(c(c(c1)Br)O)Br CHEBI:19391 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.3 c1cc(c(c(c1)Cl)O)Cl CHEBI:28457 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.3 c1cc(c(c(c1)Cl)O)O CHEBI:27715 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.3 c1cc(c(c(c1)F)O)O CHEBI:39876 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.3 c1cc(c(c(c1)O)O)O CHEBI:16164 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.69 Cc1cc(ccc1N)N CHEBI:53619 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 Cc1cc(ccc1N)O CHEBI:55546 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.69 Cc1cc(ccc1O)Cl CHEBI:1800 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 Cc1cc(ccc1O)O CHEBI:133842 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.69 Cc1ccc(c(c1)C)C CHEBI:34039 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.69 Cc1ccc(c(c1)C)N CHEBI:27840 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 Cc1ccc(c(c1)N)C CHEBI:518305 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 Cc1ccc(c(c1)O)O CHEBI:17254 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.69 Cc1ccc(cc1C)N CHEBI:39901 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.69 Cc1ccc(cc1Cl)N CHEBI:37824 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.69 Cc1ccc(cc1N)N CHEBI:34237 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 Cn1ccc(=O)[nH]c1=O CHEBI:69445 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.69 Cn1ccc(nc1=O)N CHEBI:39624 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 c1cc(c(cc1Cl)O)Cl CHEBI:27929 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 c1cc(c(cc1Cl)O)N CHEBI:75051 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 c1cc(c(cc1Cl)O)O CHEBI:27772 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.69 c1cc(c(cc1O)O)O CHEBI:16971 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CHEBI:46691 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.32 Cc1cc(c(c(c1C)C)C)C CHEBI:38998 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.278 Cc1c(cnc(c1O)C)CO CHEBI:65083 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.4 c1c[nH]c(=O)[nH]c1=O CHEBI:17568 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.4 c1c[nH]c(=S)[nH]c1=O CHEBI:348530 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 c1cc(cc(c1)Cl)O CHEBI:38855 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 c1cc(cc(c1)I)O CHEBI:33439 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 c1cc(cc(c1)O)O CHEBI:27810 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 Cc1cccc[n+]1[O-] CHEBI:35578 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.5 Cc1ccccc1C CHEBI:28063 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.5 Cc1ccccc1I CHEBI:39813 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 Cc1ccccc1N CHEBI:66892 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 Cc1ccccc1O CHEBI:28054 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [2,0,0,0,0,0|0,0,0]=2 57 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 c1ccc(c(c1)O)Cl CHEBI:47083 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 c1ccc(c(c1)O)I CHEBI:16706 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 c1ccc(c(c1)O)O CHEBI:18135 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.5 c1ccc(c(c1)O)[O-] CHEBI:50524 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.5 c1ccn(c(=S)c1)O CHEBI:36578 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 c1cncc(c1O)O CHEBI:29053 [2,0,0,0,0,0|0,0,2]=4 65 B8R1.5 c1cocc(c1=O)Br CHEBI:52506 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.2 CCc1cccc(c1O)O CHEBI:16572 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.2 COc1cccc(c1O)I CHEBI:31084 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.2 Cc1cccc(c1O)C=O CHEBI:20110 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.2 c1cc(c(c(c1)O)O)C=O CHEBI:50197 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.22 Cc1c(cc(cc1O)O)O CHEBI:19336 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.22 Cc1cc(c(c(c1)O)C)C CHEBI:38570 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.22 Cc1cc(cc(c1C)C)O CHEBI:38896 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.22 Cc1cc(cc(c1O)O)Cl CHEBI:28288 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.22 Cc1cc(cc(c1O)O)O CHEBI:17185 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.22 c1(c([nH]c(=O)[nH]c1=O)O)O CHEBI:132197 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 Cc1cc(ccc1SC)O CHEBI:38681 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.118 CC1=CC(=O)C(=CC1=O)O CHEBI:81667 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.118 CC1=CC(=O)C(=CC1=O)[O-] CHEBI:88190 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.118 Cc1cc(c(cc1C)C)C CHEBI:38978 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.118 Cc1cn(c(=O)[nH]c1=O)C CHEBI:74765 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.50 CC1=C(C(=O)CO1)O CHEBI:74456 [1,0,0,0,1,0|1,0,1]=4