0 B12R2.612 B1(c2ccc(cc2CO1)F)O CHEBI:77942 [0,0,0,0,0,0|3,1,0]=4 1 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [1,0,0,0,0,0|2,0,1]=4 3 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [1,0,0,0,0,0|1,0,2]=4 5 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [1,0,0,0,0,0|1,0,1]=3 6 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [1,0,0,0,0,0|2,0,1]=4 7 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [1,0,0,0,0,0|1,0,2]=4 9 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [1,0,0,0,0,0|1,0,2]=4 11 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [1,0,0,0,0,0|1,0,0]=2 13 B11R2.36 C1=CC(=O)C=C2C1=CC=N2 CHEBI:51633 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.36 Cc1ccc2c(c1)nn[nH]2 CHEBI:83455 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,0,1,0,0,0|2,0,0]=3 21 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,0,1,0,0,0|3,0,0]=4 24 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O CHEBI:34466 [0,0,0,0,0,1|2,1,0]=4 25 B13R2.3683 c1cc(nc2c1cc(cc2)O)Cl CHEBI:48489 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.3683 c1cc(nc2c1cc(cc2)O)O CHEBI:48490 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.5179 c1cc2cc(ccc2c(c1)O)O CHEBI:42040 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [1,0,1,0,0,0|1,1,0]=4 31 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [1,0,1,0,0,0|1,0,0]=3 32 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [1,0,1,0,0,0|1,1,0]=4 33 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [1,0,1,0,0,0|1,0,1]=4 37 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,0,1,0,0,0|0,0,2]=4 38 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.25 c1cc(c(cc1Cl)Cl)CO CHEBI:48220 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [1,0,1,0,0,0|2,0,0]=4 54 B10R2.7 c1c2c(cn[nH]2)ncn1 CHEBI:50092 [2,0,0,0,0,0|2,0,0]=4 55 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [2,0,0,0,0,0|2,0,0]=4 56 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [2,0,0,0,0,0|2,0,0]=4 57 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [2,0,0,0,0,0|2,0,0]=4 58 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [2,0,0,0,0,0|2,0,0]=4 59 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [2,0,0,0,0,0|1,0,1]=4 60 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [2,0,0,0,0,0|1,0,0]=3 61 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [2,0,0,0,0,0|2,0,0]=4 62 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [2,0,0,0,0,0|1,0,0]=3 63 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [2,0,0,0,0,0|0,0,2]=4 64 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [2,0,0,0,0,0|1,0,0]=3 65 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [2,0,0,0,0,0|2,0,0]=4 66 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [2,0,0,0,0,0|2,0,0]=4 67 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [2,0,0,0,0,0|0,0,0]=2 68 B10R2.7 c1ccc2c(c1)cno2 CHEBI:51554 [2,0,0,0,0,0|1,0,0]=3 69 B10R2.7 c1ccc2c(c1)con2 CHEBI:51555 [2,0,0,0,0,0|1,0,1]=4 70 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [2,0,0,0,0,0|1,0,1]=4 71 B10R2.7 c1ccc2cocc2c1 CHEBI:35261 [2,0,0,0,0,0|2,0,0]=4 72 B10R2.7 c1ccc2cscc2c1 CHEBI:36953 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.893 Cc1ccc(c(c1O)N)C(=O)O CHEBI:16116 [0,1,1,0,0,0|2,0,0]=4 74 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O CHEBI:28238 [1,1,0,0,0,0|1,0,1]=4 75 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [1,1,0,0,0,0|1,0,0]=3 77 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [1,1,0,0,0,0|1,0,1]=4 79 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [1,1,0,0,0,0|1,0,1]=4 80 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [1,1,0,0,0,0|1,0,0]=3 81 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)O CHEBI:90247 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.100 c1c[nH]c2=CC(=O)C(=O)C=c21 CHEBI:27406 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O CHEBI:27404 [1,1,0,0,0,0|2,0,0]=4