0 B13R2.435 B(c1cc2ccccc2s1)(O)O BZB [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 c1cc2cc(sc2nc1)C(=[NH2+])N ESP [0,0,0,0,0,0|4,0,0]=4 2 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,0,0,0,0,0|1,0,2]=3 3 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(F)F 56U [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,0,0,0,0,0|0,0,0]=0 6 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,0,0,0,0,0|3,0,0]=3 8 B12R2.32 CNc1[nH]c2ccccc2n1 1M2 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO XIY [1,0,0,0,0,0|1,0,1]=3 10 B12R2.32 c1ccc2c(c1)[nH]c(n2)CS 2XO [1,0,0,0,0,0|1,1,1]=4 11 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O 38U [0,1,0,0,0,0|1,0,0]=2 12 B14R2.3129 c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N EVE [0,1,0,0,0,0|2,0,1]=4 13 B14R2.3129 c1ccc2c(c1)cc(o2)S(=O)(=O)N EVD [0,1,0,0,0,0|2,0,1]=4 14 B14R2.3129 c1ccc2c(c1)cc(s2)S(=O)(=O)N 03T [0,1,0,0,0,0|2,0,1]=4 15 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY [0,1,0,0,0,0|0,0,0]=1 16 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)O 4BL [0,1,0,0,0,0|0,0,0]=1 17 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU [0,1,0,0,0,0|0,0,0]=1 18 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O UNJ [0,1,0,0,0,0|1,0,0]=2 19 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB [0,1,0,0,0,0|0,0,0]=1 20 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O FIC [0,1,0,0,0,0|0,0,0]=1 21 B14R2.7969 c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I ESI [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,0,1,0,0,0|1,0,2]=4 23 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,0,1,0,0,0|1,0,2]=4 24 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,0,1,0,0,0|1,0,0]=2 25 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [0,0,1,0,0,0|1,0,2]=4 26 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,0,1,0,0,0|0,0,0]=1 27 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,0,1,0,0,0|1,0,1]=3 28 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,0,1,0,0,0|1,0,1]=3 29 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,0,1,0,0,0|1,0,2]=4 30 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,0,1,0,0,0|0,0,2]=3 32 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,0,1,0,0,0|0,0,2]=3 33 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,0,1,0,0,0|1,0,2]=4 34 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,0,1,0,0,0|1,0,2]=4 35 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,0,1,0,0,0|1,0,2]=4 36 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,0,1,0,0,0|0,0,3]=4 37 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,0,1,0,0,0|0,0,2]=3 39 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,0,1,0,0,0|1,0,2]=4 40 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,0,1,0,0,0|1,0,0]=2 41 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,0,1,0,0,0|1,0,2]=4 42 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,0,1,0,0,0|1,0,0]=2 43 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])O P7Y [0,0,1,0,0,0|2,0,1]=4 44 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O 4P5 [0,0,0,0,1,0|1,0,0]=2 45 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O 4WL [0,0,0,0,1,0|1,0,0]=2 46 B12R2.252 c1csc2c1cc([nH]2)C(=O)O 4ZA [0,0,0,0,1,0|1,0,0]=2 47 B12R2.252 c1csc2c1sc(c2)C(=O)O NUK [0,0,0,0,1,0|2,0,0]=3 48 B14R2.768 CC(=O)\N=C/1\Nc2ccccc2S1 UUD [0,0,0,0,0,1|2,0,0]=3 49 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O 2FX [0,0,0,0,0,1|1,0,0]=2 50 B14R2.781 N=C(/c1ccc2ccccc2c1)\N 2UP [0,0,0,0,0,1|3,0,0]=4 51 B14R2.781 c1ccc2c(c1)CCN(C2)C(=O)O 1X1 [0,0,0,0,0,1|2,0,1]=4 52 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O DI8 [0,0,0,0,0,1|0,0,2]=3 53 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N [0,0,0,0,0,1|1,0,2]=4 54 B14R2.781 c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD [0,0,0,0,0,1|1,0,2]=4 55 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O Q3C [0,0,0,0,0,1|0,0,1]=2 56 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QNC [0,0,0,0,0,1|0,0,1]=2 57 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QND [0,0,0,0,0,1|0,0,1]=2 58 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QUI [0,0,0,0,0,1|0,0,1]=2 59 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QX [0,0,0,0,0,1|0,0,1]=2 60 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O FIV [0,0,0,0,0,1|1,0,0]=2 61 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O 4K8 [0,0,0,0,0,1|0,0,1]=2 62 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,0,1,0,0,0|0,0,2]=4 63 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,1,0,0,0|0,0,0]=2 64 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,1,0,0,0|0,0,2]=4 65 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,1,0,0,0|1,0,1]=4 66 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,1,0,0,0|1,0,1]=4 67 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,1,0,0,0|1,0,1]=4 68 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,1,0,0,0|1,0,0]=3 69 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,0,1,0,0,0|1,0,1]=4 70 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,1,0,0,0|1,0,0]=3 71 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [2,0,0,0,0,0|0,0,1]=3 72 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [2,0,0,0,0,0|2,0,0]=4 73 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH [0,1,1,0,0,0|0,0,2]=4 74 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,1,1,0,0,0|1,0,1]=4 75 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,1,1,0,0,0|1,0,1]=4 76 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF [0,1,1,0,0,0|0,0,2]=4 77 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 [0,1,1,0,0,0|0,0,2]=4 78 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F PFF [0,1,1,0,0,0|0,0,2]=4 79 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I PHI [0,1,1,0,0,0|0,0,2]=4 80 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HOX [0,1,1,0,0,0|0,0,2]=4 81 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR [0,1,1,0,0,0|0,0,2]=4 82 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH [0,1,1,0,0,0|0,0,2]=4 83 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH [0,1,1,0,0,0|0,0,2]=4 84 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I IOY [0,1,1,0,0,0|0,0,2]=4 85 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O DTY [0,1,1,0,0,0|0,0,2]=4 86 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,1,1,0,0,0|1,0,0]=3 87 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,1,1,0,0,0|1,0,0]=3 88 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,1,1,0,0,0|0,0,2]=4 89 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N APD [0,1,1,0,0,0|0,0,2]=4 90 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV [0,1,1,0,0,0|0,0,2]=4 91 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL [0,1,1,0,0,0|0,0,2]=4 92 B13R1.148 c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S [0,1,1,0,0,0|0,0,2]=4 93 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP [0,1,1,0,0,0|0,0,2]=4 94 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY [0,1,1,0,0,0|0,0,2]=4 95 B13R1.152 C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H [0,1,1,0,0,0|0,0,2]=4 96 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,1,1,0,0,0|1,0,1]=4 97 B13R1.152 c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O BB8 [0,1,1,0,0,0|0,0,2]=4 98 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O H14 [0,1,1,0,0,0|0,0,2]=4 99 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU [0,1,1,0,0,0|0,0,2]=4 100 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 [0,1,1,0,0,0|0,0,2]=4 101 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O MEA [0,1,1,0,0,0|0,0,2]=4 102 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O ZAE [0,1,1,0,0,0|0,0,2]=4 103 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,1,1,0,0,0|0,0,2]=4 104 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O 5OO [0,1,1,0,0,0|1,0,0]=3 105 B13R1.164 c1cc(c(cc1O)O)/C=C/C(=O)O SN1 [0,1,1,0,0,0|1,0,0]=3 106 B13R1.201 c1ccc(c(c1)C(=O)CC(=O)O)N 61M [0,1,1,0,0,0|0,0,1]=3 107 B13R2.400 c1c2cc(sc2[nH]c1C(=O)O)Cl 5LA [0,1,0,0,1,0|1,0,0]=3 108 B15R2.627 c1ccc2c(c1)c(c(nn2)C(=O)N)N 4RU [0,1,0,0,0,1|1,0,1]=4 109 B15R2.627 c1ccc2c(c1)ccc(c2Br)C(=O)O 27B [0,1,0,0,0,1|1,0,0]=3 110 B15R2.627 c1ccc2c(c1)ccc(c2O)C(=O)O 1HN [0,1,0,0,0,1|1,0,0]=3 111 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)O HQU [0,1,0,0,0,1|0,0,1]=3 112 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O NAS [0,1,0,0,0,1|2,0,0]=4 113 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)O KYA [0,1,0,0,0,1|0,0,1]=3 114 B15R2.16121 c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O 2C2 [0,1,0,0,0,1|1,0,1]=4 115 B15R2.61353 c1cc2ccc(nc2c(c1)O)C(=O)N 0FK [0,1,0,0,0,1|1,0,1]=4 116 B15R2.61353 c1cc2ccc(nc2c(c1)O)C(=O)O 8HC [0,1,0,0,0,1|0,0,1]=3 117 B15R2.1592 c1ccc2c(c1)c(c(s2)C(=O)NO)Cl KMY [0,2,0,0,0,0|1,0,0]=3 118 B15R2.14758 Cn1c2ccc(cc2cc1C(=O)O)Br R2N [0,2,0,0,0,0|0,0,0]=2 119 B15R2.14758 c1cc2c(cc1Cl)sc(c2Cl)C(=O)O 0F1 [0,2,0,0,0,0|1,0,0]=3 120 B15R2.14758 c1cc2c(cc1F)sc(c2Cl)C(=O)O 3R4 [0,2,0,0,0,0|1,0,0]=3 121 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,0,1,1,0,0|2,0,0]=4 122 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,0,1,1,0,0|2,0,0]=4 123 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,0,1,1,0,0|1,0,0]=3 124 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,0,1,1,0,0|2,0,0]=4 125 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,0,1,1,0,0|2,0,0]=4 126 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O ICO [0,0,1,1,0,0|2,0,0]=4 127 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O 1F1 [0,0,1,1,0,0|2,0,0]=4 128 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O 4ZV [0,0,1,1,0,0|2,0,0]=4 129 B13R2.5569 c1cc2ccoc2c(c1)C(=O)O AKH [0,0,1,1,0,0|2,0,0]=4 130 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,0,1,0,1,0|0,0,2]=4 131 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,0,1,0,1,0|1,0,0]=3 132 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,0,1,0,1,0|0,0,1]=3 133 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,1,0,1,0|1,0,1]=4 134 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,0,1,0,1,0|0,0,1]=3 135 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,0,1,0,1,0|0,0,1]=3 136 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,1,0,1,0|1,0,1]=4 137 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,0,1,0,1,0|1,0,1]=4 138 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,0,1,0,1,0|1,0,1]=4 139 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB [0,0,1,0,0,1|0,0,2]=4 140 B13R1.348 c1ccc(cc1)C[C@H](N)NC(=O)O APE [0,0,1,0,0,1|0,0,2]=4 141 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N HPE [0,0,1,0,0,1|0,0,2]=4 142 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N HMF [0,0,1,0,0,1|0,0,2]=4 143 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [1,0,0,0,0,1|1,0,1]=4 144 B15R2.1660 c1ccc2c(c1)[nH]c(n2)CCC(=O)O 4BX [0,0,0,0,0,2|1,0,0]=3 145 B15R2.1660 c1ccc2c(c1)cc(s2)CCC(=O)O 0OB [0,0,0,0,0,2|1,0,0]=3 146 B15R2.1668 CC(=O)Nc1cc2ccccc2nc1 691 [0,0,0,0,0,2|1,0,1]=4