0 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(c1[nH]c2ccccc2n1)N A2Z00059915 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 c1c2c(cncn2)sc1C(=O)O A2Z00050293 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 A2Z00096437 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A2Z00080071 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)N A2Z00009577 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.32 c1cc2c(cc([nH]2)CO)nc1 A2Z00096517 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.32 c1ccc2c(c1)[nH]c(n2)NN A2Z00009299 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.32 c1ccc2c(c1)cc(o2)CCl A2Z00096052 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.32 c1ccc2c(c1)cc(o2)CO A2Z00096099 [1,0,0,0,0,0|1,0,1]=3 14 B14R2.450 CC(=O)c1c(c2ccccc2s1)O A2Z00098473 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.450 Cc1c2ccccc2oc1C(=O)O A2Z00017253 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.450 Cn1c2ccccc2cc1C(=O)O A2Z00096774 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)NN A2Z00085516 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Cl A2Z00068889 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O A2Z00050164 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.4529 Cc1ccn2cc(nc2c1)C(=O)O A2Z00087065 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br A2Z00047194 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br A2Z00050224 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.4529 c1cc2c(cc1Br)CC(C2)C(=O)O A2Z00050223 [0,1,0,0,0,0|1,0,2]=4 24 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A2Z00086999 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.4529 c1cc2nc(cn2cc1F)C(=O)O A2Z00069894 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.7969 Cc1cccc2n1cc(n2)C(=O)O A2Z00068729 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.7969 c1c2c(c(ncn2)Cl)sc1C(=O)O A2Z00096672 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.7969 c1cc(c2nc(cn2c1)C(=O)O)O A2Z00069846 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.7969 c1cc2c(cc(o2)C(=O)O)c(c1)Br A2Z00050225 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O A2Z00074005 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,0,1,0,0,0|1,0,2]=4 32 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,0,1,0,0,0|1,0,0]=2 33 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,0,1,0,0,0|1,0,2]=4 34 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [0,0,1,0,0,0|0,0,2]=3 36 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,0,1,0,0,0|1,0,0]=2 40 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,0,1,0,0,0|1,0,0]=2 41 B12R2.252 c1c[nH]c2c1oc(c2)C(=O)O A2Z00050330 [0,0,0,0,1,0|2,0,0]=3 42 B12R2.252 c1c[nH]c2c1sc(c2)C(=O)O A2Z00050312 [0,0,0,0,1,0|2,0,0]=3 43 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O A2Z00096184 [0,0,0,0,1,0|1,0,0]=2 44 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O A2Z00096205 [0,0,0,0,1,0|1,0,0]=2 45 B14R2.768 c1ccc2c(c1)[nH]c(n2)NC(=N)N A2Z00074920 [0,0,0,0,0,1|3,0,0]=4 46 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O A2Z00047195 [0,0,0,0,0,1|0,0,0]=1 47 B14R2.768 c1ccc2c(c1)cc(o2)CC(=O)O A2Z00070485 [0,0,0,0,0,1|1,0,0]=2 48 B14R2.768 c1ccn2cc(nc2c1)CC(=O)O A2Z00068689 [0,0,0,0,0,1|1,0,1]=3 49 B14R2.781 CC(=O)c1ccc2ccccc2c1 A2Z00093569 [0,0,0,0,0,1|2,0,0]=3 50 B14R2.781 c1cc2ccc(nc2nc1)C(=O)O A2Z00009583 [0,0,0,0,0,1|1,0,1]=3 51 B14R2.781 c1ccc2c(c1)cc(nn2)C(=O)O A2Z00049201 [0,0,0,0,0,1|0,0,1]=2 52 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A2Z00097406 [0,0,0,0,0,1|0,0,1]=2 53 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O A2Z00097506 [0,0,0,0,0,1|1,0,0]=2 54 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [1,0,1,0,0,0|0,0,1]=3 58 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [1,0,1,0,0,0|1,0,0]=3 59 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [2,0,0,0,0,0|1,0,1]=4 60 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [2,0,0,0,0,0|2,0,0]=4 61 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [2,0,0,0,0,0|2,0,0]=4 62 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\C(=O)O A2Z00046437 [0,1,1,0,0,0|1,0,0]=3 63 B13R1.133 C\C(=C/c1ccc(cc1)F)\C(=O)O A2Z00094053 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,1,1,0,0,0|0,0,2]=4 65 B13R1.148 C\C(=C/c1cccc(c1)Cl)\C(=O)O A2Z00046436 [0,1,1,0,0,0|1,0,0]=3 66 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O A2Z00096319 [0,1,1,0,0,0|0,0,2]=4 67 B13R1.202 C\C(=C/c1ccccc1Cl)\C(=O)O A2Z00046435 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.202 C\C(=C/c1ccccc1F)\C(=O)O A2Z00094052 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl A2Z00094135 [0,1,1,0,0,0|0,0,2]=4 70 B13R1.418 CC\C(=C/c1ccccc1)\C(=O)O A2Z00046440 [0,1,1,0,0,0|1,0,0]=3 71 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O A2Z00034698 [0,1,1,0,0,0|0,0,1]=3 72 B13R1.90 C=Cc1ccccc1OCC(=O)O A2Z00049615 [0,1,1,0,0,0|1,0,1]=4 73 B13R1.90 COc1ccccc1\C=C\C(=O)O A2Z00096545 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O A2Z00038418 [0,1,1,0,0,0|1,0,0]=3 75 B13R1.3787 c1cc(c(c(c1)Cl)\C=C\C(=O)O)Cl A2Z00080123 [0,1,1,0,0,0|1,0,0]=3 76 B13R2.43 Cc1ccc2cc(oc2c1)C=O A2Z00050165 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.43 c1cc(cc2c1cc([nH]2)C=O)F A2Z00050318 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.531 COC(=O)c1cc2c([nH]1)cco2 A2Z00096224 [0,1,0,0,1,0|1,0,0]=3 79 B15R2.629 c1ccc2c(c1)CN(C2=O)CC(=O)O A2Z00087094 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.7252 Cc1ccn2cc(nc2c1)CC(=O)O A2Z00068690 [0,1,0,0,0,1|1,0,1]=4 81 B15R2.7252 c1cc2nc(cn2cc1Cl)CC(=O)O A2Z00068692 [0,1,0,0,0,1|1,0,1]=4 82 B15R2.7252 c1cc2nc(cn2cc1F)CC(=O)O A2Z00070391 [0,1,0,0,0,1|1,0,1]=4 83 B15R2.13461 Cc1cccn2c1nc(c2)CC(=O)O A2Z00068691 [0,1,0,0,0,1|1,0,1]=4 84 B15R2.627 CC1=C(CCc2c1cccc2)C(=O)O A2Z00096198 [0,1,0,0,0,1|1,0,0]=3 85 B15R2.627 c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O A2Z00057488 [0,1,0,0,0,1|0,0,0]=2 86 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O A2Z00076430 [0,1,0,0,0,1|1,0,0]=3 87 B15R2.1601 COC(=O)c1ccc2cnccc2c1 A2Z00097670 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.7180 c1cc(nc2c1cc(cc2)F)C(=O)O A2Z00062233 [0,1,0,0,0,1|0,0,1]=3 89 B15R2.14951 c1ccc2c(c1)CC(CC2=O)C(=O)O A2Z00049482 [0,1,0,0,0,1|1,0,1]=4 90 B15R2.1592 COC(=O)c1c(c2ccccc2[nH]1)N A2Z00095020 [0,2,0,0,0,0|0,0,0]=2 91 B15R2.1592 Cn1c2ccccc2cc1C(CO)O A2Z00096714 [0,2,0,0,0,0|0,0,2]=4 92 B15R2.4190 c1ccn2c(c1)nc(c2C=O)C(=O)O A2Z00068770 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.7203 Cc1ccc2c(c1)c(c([nH]2)C(=O)O)C A2Z00096255 [0,2,0,0,0,0|0,0,0]=2 94 B15R2.13463 Cn1c2cccc(c2cc1C(=O)O)Cl A2Z00087372 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.14758 Cn1c2ccc(cc2cc1C(=O)O)Cl A2Z00087369 [0,2,0,0,0,0|0,0,0]=2 96 B15R2.1356 CCOC(=O)c1cc2c([nH]1)cccn2 A2Z00096468 [0,2,0,0,0,0|1,0,0]=3 97 B15R2.1356 CCOC(=O)c1cc2ccccc2o1 A2Z00096131 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 A2Z00069286 [0,2,0,0,0,0|1,0,1]=4 99 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)F A2Z00096135 [0,2,0,0,0,0|0,0,0]=2 100 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)O A2Z00096200 [0,2,0,0,0,0|0,0,0]=2 101 B15R2.1590 Cc1ccc2cc(oc2c1)C(=O)OC A2Z00096560 [0,2,0,0,0,0|1,0,0]=3 102 B15R2.4834 CC(=O)c1cc2cc(ccc2o1)OC A2Z00097865 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O A2Z00095917 [0,2,0,0,0,0|0,0,0]=2 104 B15R2.4834 COc1ccc2cc(sc2c1)C(=O)O A2Z00087388 [0,2,0,0,0,0|1,0,0]=3 105 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O A2Z00061877 [0,0,1,1,0,0|1,0,1]=4 107 B13R2.72 c1ccc2c(c1)c(sn2)C(=O)O A2Z00049616 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O A2Z00050187 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=O)O A2Z00087359 [0,0,1,1,0,0|2,0,0]=4 110 B11R1.35 C\C(=C/c1cccs1)\C(=O)O A2Z00046433 [0,0,1,0,1,0|2,0,0]=4 111 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,0,1,0,1,0|1,0,1]=4 112 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,0,1,0,1,0|1,0,1]=4 113 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [1,0,0,0,0,1|2,0,0]=4 114 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [1,0,0,0,0,1|0,0,1]=3 115 B15R2.1660 c1cc2c([nH]c(n2)CCC(=O)O)nc1 A2Z00070506 [0,0,0,0,0,2|2,0,0]=4 116 B15R2.1660 c1ccc2c(c1)nc(s2)CCC(=O)O A2Z00087554 [0,0,0,0,0,2|1,0,1]=4 117 B15R2.1660 c1ccc2c(c1)nc(s2)SCC(=O)O A2Z00050868 [0,0,0,0,0,2|1,0,1]=4 118 B15R2.1237 c1ccc2c(c1)CCCC(N2)C(=O)O A2Z00050278 [0,0,0,0,0,2|0,0,2]=4