0 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25643 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25644 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O PI-25821 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F PI-21216 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O PI-27890 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)N)O PI-27366 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-12967 [0,0,0,0,0,0|0,0,0]=0 8 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-44569 [0,0,0,0,0,0|0,0,0]=0 9 B14R1.686 CC1=C(C=C(C=C1)CC(C(=O)O)N)C PI-33681 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.686 CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O PI-48177 [0,0,0,0,0,0|1,0,0]=1 11 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(O)=O PI-38725 [0,0,0,0,0,0|0,0,0]=0 12 B14R1.686 N[C@@H](CC1=CC(Br)=C(C=C1)O)C(O)=O PI-37231 [0,0,0,0,0,0|1,0,0]=1 13 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N PI-18843 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [1,0,0,0,0,0|1,0,0]=2 22 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [1,0,0,0,0,0|0,0,0]=1 25 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [1,0,0,0,0,0|1,0,0]=2 26 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [1,0,0,0,0,0|1,0,0]=2 27 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [1,0,0,0,0,0|1,0,0]=2 29 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [1,0,0,0,0,0|1,0,0]=2 30 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [1,0,0,0,0,0|1,0,0]=2 31 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [1,0,0,0,0,0|0,0,0]=1 32 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [1,0,0,0,0,0|1,0,0]=2 34 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [1,0,0,0,0,0|0,0,0]=1 35 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [1,0,0,0,0,0|1,0,0]=2 36 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [1,0,0,0,0,0|1,0,0]=2 38 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [1,0,0,0,0,0|1,0,0]=2 39 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [1,0,0,0,0,0|1,0,0]=2 40 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [1,0,0,0,0,0|1,0,0]=2 41 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [1,0,0,0,0,0|1,0,0]=2 42 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [1,0,0,0,0,0|1,0,0]=2 43 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [1,0,0,0,0,0|1,0,0]=2 44 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [1,0,0,0,0,0|1,0,0]=2 45 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [1,0,0,0,0,0|0,0,0]=1 46 B13R1.511 C1=CC(=C(C=C1OCC(=O)O)Cl)Cl PI-50534 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [1,0,0,0,0,0|3,0,0]=4 48 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [1,0,0,0,0,0|0,0,0]=1 49 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [1,0,0,0,0,0|2,0,0]=3 50 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [1,0,0,0,0,0|0,0,2]=3 51 B15R1.890 OC(=O)[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 PI-12337 [0,1,0,0,0,0|0,0,0]=1 52 B15R1.5521 COC(=O)C(CC1=CC(=C(C=C1)O)I)N PI-31946 [0,1,0,0,0,0|1,0,0]=2 53 B15R1.8394 C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N PI-27369 [0,1,0,0,0,0|0,0,0]=1 54 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N PI-12959 [0,1,0,0,0,0|0,0,0]=1 55 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N PI-15356 [0,1,0,0,0,0|0,0,0]=1 56 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N PI-16176 [0,1,0,0,0,0|1,0,0]=2 57 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N PI-50426 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)F)F PI-16855 [0,0,0,0,1,0|3,0,0]=4 59 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O PI-27202 [0,0,0,0,1,0|1,0,0]=2 60 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [2,0,0,0,0,0|0,0,2]=4 61 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [2,0,0,0,0,0|0,0,0]=2 72 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [2,0,0,0,0,0|1,0,0]=3 73 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [2,0,0,0,0,0|0,0,2]=4 77 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [2,0,0,0,0,0|1,0,0]=3 78 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [2,0,0,0,0,0|1,0,0]=3 79 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [2,0,0,0,0,0|1,0,0]=3 80 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [2,0,0,0,0,0|1,0,0]=3 83 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [2,0,0,0,0,0|1,0,1]=4 84 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [2,0,0,0,0,0|2,0,0]=4 85 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [2,0,0,0,0,0|0,0,0]=2 86 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [2,0,0,0,0,0|1,0,0]=3 87 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [2,0,0,0,0,0|1,0,0]=3 88 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [2,0,0,0,0,0|1,0,0]=3 90 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [2,0,0,0,0,0|1,0,0]=3 91 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [2,0,0,0,0,0|1,0,0]=3 92 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [2,0,0,0,0,0|2,0,0]=4 93 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [2,0,0,0,0,0|0,0,2]=4 94 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [2,0,0,0,0,0|0,0,0]=2 95 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [2,0,0,0,0,0|1,0,0]=3 96 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [2,0,0,0,0,0|1,0,0]=3 98 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [2,0,0,0,0,0|1,0,0]=3 99 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [2,0,0,0,0,0|1,0,1]=4 100 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43553 [1,1,0,0,0,0|1,0,0]=3 101 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43704 [1,1,0,0,0,0|1,0,0]=3 102 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N PI-28493 [1,1,0,0,0,0|0,0,0]=2 103 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-16294 [1,1,0,0,0,0|0,0,0]=2 104 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-28013 [1,1,0,0,0,0|0,0,0]=2 105 B14R1.134 CC(C(=O)OC)OC1=CC=C(C=C1)O PI-21898 [1,1,0,0,0,0|2,0,0]=4 106 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [1,1,0,0,0,0|1,0,0]=3 107 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [1,1,0,0,0,0|0,0,0]=2 108 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [1,1,0,0,0,0|0,0,0]=2 109 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [1,1,0,0,0,0|0,0,0]=2 110 B14R1.134 NNC(=O)[C@@H](N)Cc1ccc(O)cc1 PI-27899 [1,1,0,0,0,0|1,0,0]=3 111 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43403 [1,1,0,0,0,0|1,0,0]=3 112 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43414 [1,1,0,0,0,0|1,0,0]=3 113 B14R1.6049 C1=CC(=C(C=C1F)F)CC(C(=O)O)N PI-21213 [1,1,0,0,0,0|1,0,0]=3 114 B14R1.7626 Oc1ccc(cc1)C[C@](C(=O)O)(N)C PI-14969 [1,1,0,0,0,0|0,0,0]=2 115 B14R1.75 C1=CC(=CC(=C1)CC(C(=O)O)N)C#N PI-43703 [1,1,0,0,0,0|1,0,0]=3 116 B14R1.75 C1=CC(=CC(=C1)CC(C(=O)O)N)C#N PI-43819 [1,1,0,0,0,0|1,0,0]=3 117 B14R1.4257 C1=C(C=C(C=C1F)F)CC(C(=O)O)N PI-21217 [1,1,0,0,0,0|1,0,0]=3 118 B14R1.4404 CC(CC1=CC(=CC=C1)O)(C(=O)O)N PI-27805 [1,1,0,0,0,0|0,0,0]=2 119 B14R1.4474 C1=CC(=C(C=C1F)CC(C(=O)O)N)F PI-21214 [1,1,0,0,0,0|1,0,0]=3 120 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [1,1,0,0,0,0|1,0,0]=3 121 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [1,1,0,0,0,0|0,0,0]=2 122 B14R1.42 COc1cc(\C=C/C(=O)O)ccc1O PI-10204 [1,1,0,0,0,0|0,0,2]=4 123 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O PI-38381 [1,1,0,0,0,0|0,0,2]=4 124 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O PI-25650 [1,1,0,0,0,0|0,0,2]=4 125 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,0,0,1,0|1,0,0]=3 126 B14R1.3652 COc1ccc(cc1O)C(C(=O)O)O PI-27527 [0,1,0,0,1,0|1,0,0]=3 127 B16R1.11361 C1=C(C(=CC(=C1F)F)F)CC(CC(=O)O)N PI-43233 [0,1,0,0,0,1|2,0,0]=4 128 B16R1.94545 NN[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O PI-12949 [0,2,0,0,0,0|0,0,0]=2 129 B16R1.94545 NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C PI-14764 [0,2,0,0,0,0|0,0,0]=2 130 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC PI-28638 [0,2,0,0,0,0|0,0,0]=2 131 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC PI-43736 [0,2,0,0,0,0|0,0,0]=2 132 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [1,0,0,1,0,0|0,0,2]=4 133 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [1,0,0,0,1,0|1,0,0]=3 134 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [1,0,0,0,1,0|1,0,0]=3 135 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [1,0,0,0,1,0|1,0,0]=3 136 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [1,0,0,0,1,0|1,0,0]=3 137 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [1,0,0,0,1,0|1,0,0]=3 138 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [1,0,0,0,1,0|1,0,0]=3 139 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [1,0,0,0,1,0|0,0,0]=2 140 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [1,0,0,0,1,0|2,0,0]=4 141 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [1,0,0,0,1,0|2,0,0]=4 143 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [1,0,0,0,1,0|2,0,0]=4 144 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [1,0,0,0,1,0|1,0,0]=3 145 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [1,0,0,0,1,0|0,0,0]=2 146 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [1,0,0,0,1,0|2,0,0]=4 147 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [1,0,0,0,1,0|1,0,0]=3 149 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [1,0,0,0,1,0|2,0,0]=4 150 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [1,0,0,0,1,0|2,0,0]=4 151 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [1,0,0,0,1,0|2,0,0]=4 152 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [1,0,0,0,1,0|2,0,0]=4 153 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [1,0,0,0,1,0|1,0,1]=4 154 B14R1.679 O=C(O)[C@@H](N)CCC1=CC=C(O)C=C1 PI-37070 [1,0,0,0,0,1|0,0,0]=2 155 B14R1.698 C1=CC(=CC=C1CC(CC(=O)O)N)Br PI-43741 [1,0,0,0,0,1|1,0,0]=3 156 B14R1.698 CC1=CC=C(C=C1)CC(CC(=O)O)N PI-26220 [1,0,0,0,0,1|1,0,0]=3 157 B14R1.698 OC(=O)C[C@@H](N)Cc1ccc(Cl)cc1 PI-26505 [1,0,0,0,0,1|1,0,0]=3