0 B13R2.435 B(c1cc2ccccc2s1)(O)O MIX-0093 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O MIX-0614 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.435 c1ccn2cc(nc2c1)C(=O)O 2IP-0002 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.435 c1cnc2nc(cn2c1)C(=O)O MIX-0587 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.435 c1cnc2nc(nn2c1)C(=O)O MIX-0589 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl MIX-0400 [0,1,0,0,0,0|1,0,0]=2 6 B14R2.3129 CC(C)(C)c1cc2ccccc2[nH]1 MIX-0640 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O ICA-0044 [0,1,0,0,0,0|0,0,0]=1 8 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)O ICA-0082 [0,1,0,0,0,0|0,0,0]=1 9 B14R2.4529 Cc1ccc2nc(cn2c1)C(=O)O 2IP-0010 [0,1,0,0,0,0|1,0,1]=3 10 B14R2.4529 Cc1ccn2cc(nc2c1)C(=O)O 2IP-0009 [0,1,0,0,0,0|1,0,1]=3 11 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br ICA-0072 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl ICA-0073 [0,1,0,0,0,0|0,0,0]=1 13 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F ICA-0079 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)I ICA-0114 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Cl MIX-0565 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)F MIX-0556 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O ICA-0027 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.4529 c1cc2c(cc1N)cc(s2)C(=O)O MIX-0602 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.4529 c1cc2nc(cn2cc1Br)C(=O)O 2IP-0007 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.4529 c1cc2nc(cn2cc1Cl)C(=O)O 2IP-0003 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)O ICA-0043 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)O ICA-0081 [0,1,0,0,0,0|0,0,0]=1 23 B14R2.7969 Cc1cccc2n1cc(n2)C(=O)O 2IP-0015 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.7969 Cc1cccn2c1nc(c2)C(=O)O 2IP-0008 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br ICA-0071 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl ICA-0074 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F ICA-0075 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O ICA-0015 [0,1,0,0,0,0|0,0,0]=1 29 B14R2.7969 c1cc2cc([nH]c2c(c1)F)C(=O)O ICA-0017 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.125 Cc1ccccc1\C=C\C(=O)O MIX-0402 [0,0,1,0,0,0|1,0,0]=2 31 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F MIX-0419 [0,0,1,0,0,0|1,0,0]=2 32 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O ICA-0171 [0,0,0,0,1,0|1,0,0]=2 33 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O ICA-0170 [0,0,0,0,1,0|1,0,0]=2 34 B12R2.252 c1csc2c1sc(c2)C(=O)O MIX-0117 [0,0,0,0,1,0|2,0,0]=3 35 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O MIX-0068 [0,0,0,0,0,1|1,0,2]=4 36 B13R1.90 CCc1ccccc1\C=C\C(=O)O MIX-0417 [0,1,1,0,0,0|1,0,0]=3 37 B13R1.150 Cc1cccc(c1C)\C=C\C(=O)O MIX-0420 [0,1,1,0,0,0|1,0,0]=3 38 B13R1.164 Cc1ccc(c(c1)Br)\C=C\C(=O)O MIX-0418 [0,1,1,0,0,0|1,0,0]=3 39 B13R1.164 c1cc(c(cc1F)F)\C=C\C(=O)O MIX-0406 [0,1,1,0,0,0|1,0,0]=3 40 B13R1.893 c1cc(c(cc1Br)\C=C\C(=O)O)F MIX-0401 [0,1,1,0,0,0|1,0,0]=3 41 B13R2.400 Cc1cc2c(o1)cc([nH]2)C(=O)O ICA-0172 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.400 Cc1cc2c(s1)cc([nH]2)C(=O)O ICA-0182 [0,1,0,0,1,0|1,0,0]=3 43 B13R2.531 COC(=O)c1cc2c([nH]1)cco2 MIX-0593 [0,1,0,0,1,0|1,0,0]=3 44 B13R2.531 COC(=O)c1cc2c([nH]1)ccs2 MIX-0595 [0,1,0,0,1,0|1,0,0]=3 45 B15R2.1592 COC(=O)c1c(n2ccccc2n1)F 7727 [0,2,0,0,0,0|1,0,1]=4 46 B15R2.4190 c1ccc2c(c1)c(c([nH]2)C(=O)O)C=O MIX-0893 [0,2,0,0,0,0|0,0,0]=2 47 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)N MIX-0590 [0,2,0,0,0,0|1,0,0]=3 48 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)N MIX-0590 [0,2,0,0,0,0|1,0,0]=3 49 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)Br MIX-0183 [0,2,0,0,0,0|0,0,0]=2 50 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)Cl MIX-0098 [0,2,0,0,0,0|0,0,0]=2 51 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)F MIX-0065 [0,2,0,0,0,0|0,0,0]=2 52 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)I MIX-0571 [0,2,0,0,0,0|0,0,0]=2 53 B15R2.1590 Cc1ccc2cc([nH]c2c1)C(=O)OC MIX-0323 [0,2,0,0,0,0|0,0,0]=2 54 B15R2.1590 c1cc(cc2c1cc(s2)C(=O)O[K])Cl MIX-0565 [0,2,0,0,0,0|1,0,0]=3 55 B15R2.1590 c1cc2c(cc1N)cc(s2)C(=O)O[K] MIX-0602 [0,2,0,0,0,0|1,0,0]=3 56 B15R2.1598 COC(=O)c1cc2c([nH]1)cccc2Br MIX-0025 [0,2,0,0,0,0|0,0,0]=2 57 B15R2.1598 COC(=O)c1cc2c([nH]1)cccc2Cl MIX-0026 [0,2,0,0,0,0|0,0,0]=2 58 B15R2.1598 COC(=O)c1cc2c([nH]1)cccc2F MIX-0424 [0,2,0,0,0,0|0,0,0]=2 59 B15R2.1598 Cc1cccc2c1cc([nH]2)C(=O)OC MIX-0042 [0,2,0,0,0,0|0,0,0]=2 60 B15R2.4834 CCc1ccc2c(c1)cc([nH]2)C(=O)O ICA-0030 [0,2,0,0,0,0|0,0,0]=2 61 B15R2.4834 CCc1ccc2cc([nH]c2c1)C(=O)O ICA-0085 [0,2,0,0,0,0|0,0,0]=2 62 B15R2.4834 COc1ccc2cc([nH]c2c1)C(=O)O ICA-0062 [0,2,0,0,0,0|0,0,0]=2 63 B15R2.4834 CSc1ccc2cc([nH]c2c1)C(=O)O ICA-0066 [0,2,0,0,0,0|0,0,0]=2 64 B15R2.7254 Cc1c(ccc2c1[nH]c(c2)C(=O)O)Cl ICA-0021 [0,2,0,0,0,0|0,0,0]=2 65 B15R2.7254 Cc1ccc2cc([nH]c2c1C)C(=O)O ICA-0002 [0,2,0,0,0,0|0,0,0]=2 66 B15R2.7254 c1cc(c(c2c1[nH]c(c2)C(=O)O)Cl)Cl ICA-0057 [0,2,0,0,0,0|0,0,0]=2 67 B15R2.7254 c1cc(c(c2c1cc([nH]2)C(=O)O)Cl)Cl ICA-0001 [0,2,0,0,0,0|0,0,0]=2 68 B15R2.15633 Cc1cc(c2c(c1)cc([nH]2)C(=O)O)C ICA-0006 [0,2,0,0,0,0|0,0,0]=2 69 B15R2.15633 Cc1cc(c2cc([nH]c2c1)C(=O)O)C ICA-0020 [0,2,0,0,0,0|0,0,0]=2 70 B15R2.15633 Cc1cc(cc2c1[nH]c(c2)C(=O)O)Cl ICA-0151 [0,2,0,0,0,0|0,0,0]=2 71 B15R2.15633 Cc1cc2cc([nH]c2c(c1)Br)C(=O)O ICA-0012 [0,2,0,0,0,0|0,0,0]=2 72 B15R2.15633 c1c(cc(c2c1[nH]c(c2)C(=O)O)Cl)F ICA-0176 [0,2,0,0,0,0|0,0,0]=2 73 B15R2.15633 c1c(cc(c2c1[nH]c(c2)C(=O)O)F)Cl ICA-0130 [0,2,0,0,0,0|0,0,0]=2 74 B15R2.15633 c1c(cc(c2c1[nH]c(c2)C(=O)O)F)F ICA-0137 [0,2,0,0,0,0|0,0,0]=2 75 B15R2.15633 c1c(cn2cc(nc2c1Br)C(=O)O)Br 2IP-0005 [0,2,0,0,0,0|1,0,1]=4 76 B15R2.15633 c1c2cc([nH]c2c(cc1Br)Cl)C(=O)O ICA-0023 [0,2,0,0,0,0|0,0,0]=2 77 B15R2.15633 c1c2cc([nH]c2c(cc1Cl)Br)C(=O)O ICA-0184 [0,2,0,0,0,0|0,0,0]=2 78 B15R2.15633 c1c2cc([nH]c2c(cc1Cl)Cl)C(=O)O ICA-0004 [0,2,0,0,0,0|0,0,0]=2 79 B15R2.15633 c1c2cc([nH]c2c(cc1Cl)F)C(=O)O ICA-0028 [0,2,0,0,0,0|0,0,0]=2 80 B15R2.14566 Cc1ccc(c2c1[nH]c(c2)C(=O)O)Cl ICA-0038 [0,2,0,0,0,0|0,0,0]=2 81 B15R2.14566 Cc1ccc(c2c1cc([nH]2)C(=O)O)C ICA-0009 [0,2,0,0,0,0|0,0,0]=2 82 B15R2.14566 c1cc(c2c(c1Cl)cc([nH]2)C(=O)O)Cl ICA-0042 [0,2,0,0,0,0|0,0,0]=2 83 B15R2.20824 CCc1cccc2c1[nH]c(c2)C(=O)O ICA-0016 [0,2,0,0,0,0|0,0,0]=2 84 B15R2.20824 COc1cccc2c1cc([nH]2)C(=O)O ICA-0059 [0,2,0,0,0,0|0,0,0]=2 85 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O IZA-0002 [0,0,1,1,0,0|1,0,1]=4