0 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O CHEBI:28869 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.7724 Cc1cc(c2ccccc2c1O)O CHEBI:6746 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O CHEBI:59054 [0,0,0,0,0,0|1,0,1]=2 3 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl CHEBI:28160 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O CHEBI:44401 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.32 Cc1ccc2ccccc2c1C CHEBI:34052 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 c1ccc2c(c1)ccc(c2O)O CHEBI:17435 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.328 Cc1cc(c2ccccc2c1)C CHEBI:48614 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [1,0,0,0,0,0|0,0,2]=3 10 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=N)[nH]2 CHEBI:85558 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [1,0,0,0,0,0|0,0,0]=1 12 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)[O-] CHEBI:77858 [1,0,0,0,0,0|1,0,1]=3 14 B13R2.371 Cc1ccc(c2c1cccc2)C CHEBI:48609 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O CHEBI:27418 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.371 c1ccc2c(c1)c(ccc2O)O CHEBI:34063 [1,0,0,0,0,0|2,0,0]=3 17 B15R2.9032 c1ccc2c(c1)c(=O)c(=O)c(=O)c2=O CHEBI:78854 [0,1,0,0,0,0|2,0,1]=4 18 B15R2.13626 Cc1c(cc(c2c1occc2=O)O)O CHEBI:67363 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.13627 c1cc2c(cc(c(c2c(c1)O)O)O)O CHEBI:133723 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.107 CC(=O)OC(=O)c1ccccc1 CHEBI:36633 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N CHEBI:39416 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.283 c1ccc(c(c1)C(=O)O)NC=O CHEBI:36575 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.283 c1ccc(c(c1)C(=O)[O-])NC=O CHEBI:18410 [1,0,1,0,0,0|1,0,1]=4 24 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [2,0,0,0,0,0|1,0,1]=4 26 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [2,0,0,0,0,0|0,0,0]=2 27 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [2,0,0,0,0,0|1,0,0]=3 28 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [2,0,0,0,0,0|0,0,2]=4 29 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [2,0,0,0,0,0|1,0,1]=4 31 B12R2.1081 Cc1cccc2c1cccc2 CHEBI:50717 [2,0,0,0,0,0|1,0,0]=3 32 B12R2.1081 Cc1cccc2c1nccc2 CHEBI:48984 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.1081 Cc1ccnc2c1cccc2 CHEBI:48983 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.1081 [B]c1cccc2c1cccc2 CHEBI:38991 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.1081 c1cc2c(cccn2)c(c1)O CHEBI:48993 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.1081 c1cc2cccnc2c(c1)O CHEBI:48981 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.1081 c1ccc2c(c1)c(=O)cco2 CHEBI:72013 [2,0,0,0,0,0|1,0,1]=4 38 B12R2.1081 c1ccc2c(c1)c(ccn2)O CHEBI:15815 [2,0,0,0,0,0|0,0,1]=3 39 B12R2.1081 c1ccc2c(c1)cccc2N CHEBI:50450 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 c1ccc2c(c1)cccc2O CHEBI:10319 [2,0,0,0,0,0|1,0,0]=3 41 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O CHEBI:28091 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.28480 c1cc2cc(cc(c2c(c1)O)O)O CHEBI:18393 [1,1,0,0,0,0|1,0,1]=4 43 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N CHEBI:51771 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O CHEBI:17224 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.1131 c1ccc2c(c1)c(cc[n+]2[O-])NO CHEBI:28469 [1,1,0,0,0,0|1,0,1]=4 46 B16R2.23331 c1ccc2c(c1)c(cc(c2O)C(=O)O)O CHEBI:18094 [0,2,0,0,0,0|2,0,0]=4 47 B16R2.23331 c1ccc2c(c1)c(cc(c2O)C(=O)[O-])O CHEBI:11173 [0,2,0,0,0,0|2,0,0]=4 48 B14R2.25733 CC(=O)n1cc(c2c1cccc2)O CHEBI:15363 [0,0,1,1,0,0|0,0,2]=4 49 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [1,0,0,0,1,0|2,0,0]=4 50 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O CHEBI:78877 [1,0,0,0,1,0|0,0,2]=4 51 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O CHEBI:38817 [1,0,0,0,1,0|1,0,1]=4 52 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CHEBI:36605 [1,0,0,0,1,0|1,0,1]=4 53 B12R2.2028 c1ccc2c(c1)C(=O)OI2O CHEBI:52699 [1,0,0,0,1,0|2,0,0]=4 54 B12R2.2028 c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [1,0,0,0,1,0|1,0,1]=4