0 B12R1.125 Cc1ccccc1\C=C\C(=O)O MIX-0402 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F MIX-0419 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.90 CCc1ccccc1\C=C\C(=O)O MIX-0417 [0,1,0,0,0,0|1,0,0]=2 3 B13R1.150 Cc1cccc(c1C)\C=C\C(=O)O MIX-0420 [0,1,0,0,0,0|1,0,0]=2 4 B13R1.164 Cc1ccc(c(c1)Br)\C=C\C(=O)O MIX-0418 [0,1,0,0,0,0|1,0,0]=2 5 B13R1.164 c1cc(c(cc1F)F)\C=C\C(=O)O MIX-0406 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br BAA-0004 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.893 c1cc(c(cc1Br)\C=C\C(=O)O)F MIX-0401 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.435 B(c1cc2ccccc2s1)(O)O MIX-0093 [0,0,0,1,0,0|1,1,1]=4 9 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O MIX-0614 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.435 c1ccn2cc(nc2c1)C(=O)O 2IP-0002 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.435 c1cnc2nc(cn2c1)C(=O)O MIX-0587 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O MIX-0409 [1,1,0,0,0,0|0,0,0]=2 13 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F MIX-0405 [1,1,0,0,0,0|0,0,0]=2 14 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O MIX-0421 [1,1,0,0,0,0|0,0,0]=2 15 B12R1.226 c1cc(cc(c1)I)\C=C\C(=O)O MIX-0829 [1,1,0,0,0,0|0,0,0]=2 16 B12R1.124 Cc1ccccc1C(C(=O)O)N AAA-0046 [0,1,0,0,1,0|1,0,1]=4 17 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br AAA-0030 [0,1,0,0,1,0|1,0,1]=4 18 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AAA-0034 [0,1,0,0,1,0|1,0,1]=4 19 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)F AAA-0036 [0,1,0,0,1,0|1,0,1]=4 20 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C PAA-0004 [0,1,0,0,1,0|1,0,1]=4 21 B12R1.127 Cc1ccc(c(c1)CC(=O)O)Cl PAA-0179 [0,1,0,0,1,0|1,0,1]=4 22 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O PAA-0003 [0,1,0,0,1,0|1,0,1]=4 23 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O PAA-0228 [0,1,0,0,1,0|1,0,1]=4 24 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O PAA-0230 [0,1,0,0,1,0|1,0,1]=4 25 B14R1.482 CCOc1ccccc1\C=C\C(=O)O MIX-0403 [0,2,0,0,0,0|0,0,0]=2 26 B12R2.1081 c1cc2c(cccn2)c(c1)Br MIX-0103 [1,0,0,1,0,0|2,0,0]=4 27 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O ICA-0171 [0,0,0,1,1,0|2,0,0]=4 28 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O ICA-0170 [0,0,0,1,1,0|2,0,0]=4 29 B12R2.252 c1csc2c1sc(c2)C(=O)O MIX-0117 [0,0,0,1,1,0|1,1,0]=4 30 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O MIX-0068 [0,0,0,1,0,1|0,0,2]=4 31 B14R2.2 c1ccc2c(c1)c(c[nH]2)CC(=O)O MIX-0562 [0,1,0,1,0,0|1,0,1]=4 32 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl MIX-0400 [0,1,0,1,0,0|0,1,0]=3 33 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)O ICA-0043 [0,1,0,1,0,0|1,0,0]=3 34 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)O ICA-0081 [0,1,0,1,0,0|1,0,0]=3 35 B14R2.7969 Cc1cccc2n1cc(n2)C(=O)O 2IP-0015 [0,1,0,1,0,0|2,0,0]=4 36 B14R2.7969 Cc1cccn2c1nc(c2)C(=O)O 2IP-0008 [0,1,0,1,0,0|2,0,0]=4 37 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br ICA-0071 [0,1,0,1,0,0|1,0,0]=3 38 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl ICA-0074 [0,1,0,1,0,0|1,0,0]=3 39 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F ICA-0075 [0,1,0,1,0,0|1,0,0]=3 40 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O ICA-0015 [0,1,0,1,0,0|1,0,0]=3 41 B14R2.7969 c1cc2cc([nH]c2c(c1)F)C(=O)O ICA-0017 [0,1,0,1,0,0|1,0,0]=3 42 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O ICA-0044 [0,1,0,1,0,0|1,0,0]=3 43 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)O ICA-0082 [0,1,0,1,0,0|1,0,0]=3 44 B14R2.4529 Cc1ccc2nc(cn2c1)C(=O)O 2IP-0010 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.4529 Cc1ccn2cc(nc2c1)C(=O)O 2IP-0009 [0,1,0,1,0,0|2,0,0]=4 46 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br ICA-0072 [0,1,0,1,0,0|1,0,0]=3 47 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl ICA-0073 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F ICA-0079 [0,1,0,1,0,0|1,0,0]=3 49 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)I ICA-0114 [0,1,0,1,0,0|1,0,0]=3 50 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Cl MIX-0565 [0,1,0,1,0,0|0,1,0]=3 51 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)F MIX-0556 [0,1,0,1,0,0|0,1,0]=3 52 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O ICA-0027 [0,1,0,1,0,0|1,0,0]=3 53 B14R2.4529 c1cc2c(cc1N)cc(s2)C(=O)O MIX-0602 [0,1,0,1,0,0|0,1,0]=3 54 B14R2.4529 c1cc2nc(cn2cc1Br)C(=O)O 2IP-0007 [0,1,0,1,0,0|2,0,0]=4 55 B14R2.4529 c1cc2nc(cn2cc1Cl)C(=O)O 2IP-0003 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.66 c1cc(sc1)\C=C\C(=O)O MIX-0404 [1,0,0,0,1,0|1,0,0]=3