0 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCCCCC(=O)O 6NA [0,0,0,0,0,0|0,0,4]=4 2 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|0,0,3]=4 4 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|0,0,3]=4 5 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|1,0,2]=4 6 B8R0.8 C(CC(=O)C(=O)O)C=O DO4 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.8 CO/C=C\[C@@H](C(=O)O)N AMB [0,1,0,0,0,0|1,0,1]=3 8 B8R0.8 CSCCC(=O)C(=O)O KMT [0,1,0,0,0,0|1,0,2]=4 9 B8R0.8 N=C(/CCSC)\C(=O)O 0XD [0,1,0,0,0,0|1,0,2]=4 10 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,1,0,0,0,0|1,0,2]=4 11 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,1,0,0,0,0|0,0,2]=3 12 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|1,0,2]=4 13 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,1,0,0,0,0|1,0,1]=3 14 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,1,0,0,0,0|1,0,2]=4 15 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,1,0,0,0,0|0,0,3]=4 16 B8R1.4 C1=C(NC(=O)N=C1)N CYT [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 C1=CNC(=O)NC1=O URA [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 C1=CNC(=S)NC1=O TUL [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 CC1=CC(=S)NC=C1 4H2 [0,0,0,1,0,0|2,1,0]=4 20 B8R1.4 Cc1cccc(c1)O CRS [0,0,0,1,0,0|1,0,0]=2 21 B8R1.4 Cc1cccc(c1)S M3T [0,0,0,1,0,0|1,1,0]=3 22 B8R1.4 Cc1cccc(n1)N 71M [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 Cc1ccnc(c1)N BVF [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 c1cc(cc(c1)Br)O B3R [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 c1cc(cc(c1)Cl)O 3CH [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 c1cc(cc(c1)O)O RCO [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 c1cc(nc(c1)N)N 26D [0,0,0,1,0,0|3,0,0]=4 28 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,0,0,1,0,0|0,0,2]=3 29 B8R1.7 c1c(ncs1)C(=O)O TZO [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,1,0,0|1,0,1]=3 31 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,1,0,0|1,0,0]=2 32 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,0,0,1,0,0|2,0,1]=4 34 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,0]=2 35 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,2]=4 36 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,1,0,0,0,0|0,0,0]=2 41 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [1,1,0,0,0,0|0,0,2]=4 42 B7R0.5 C=CC[C@H](C(=O)O)N DYL [1,1,0,0,0,0|0,0,2]=4 43 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|0,0,2]=4 44 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,1,0,0,0,0|1,0,0]=3 45 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [1,1,0,0,0,0|1,0,0]=3 46 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [1,1,0,0,0,0|1,0,0]=3 47 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [1,1,0,0,0,0|1,0,1]=4 48 B7R0.6 CC(=O)CCC(=O)O SHF [1,1,0,0,0,0|0,0,2]=4 49 B7R0.6 CC(=O)NCC(=O)O AAC [1,1,0,0,0,0|1,0,1]=4 50 B9R0.6 COC\C(=C(/C(=O)O)\N)\S BB7 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,2,0,0,0,0|0,0,2]=4 52 B9R0.47 C(=C\C(=O)C(=O)O)/C=C/O 6UN [0,2,0,0,0,0|0,0,1]=3 53 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O 2VS [0,2,0,0,0,0|0,0,1]=3 54 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/N 6OD [0,2,0,0,0,0|0,0,1]=3 55 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/O 6OH [0,2,0,0,0,0|0,0,1]=3 56 B9R0.47 C(CN)\C=C\[C@@H](C(=O)O)N LYH [0,2,0,0,0,0|0,0,2]=4 57 B9R0.47 C(\C=C\C=C(\C(=O)O)/O)O 6OA [0,2,0,0,0,0|0,0,0]=2 58 B9R0.47 N=C(\C\C=C/C=O)/C(=O)O 2XP [0,2,0,0,0,0|1,0,0]=3 59 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,2,0,0,0,0|0,0,0]=2 60 B9R0.55 C(=C\C(=O)O)\C=C/C(=O)O CCU [0,2,0,0,0,0|0,0,1]=3 61 B9R0.7 C(=C(\C(=O)O)/N)/NC(=O)N UAL [0,2,0,0,0,0|2,0,0]=4 62 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,1]=4 63 B7R1.3 Cc1ccccc1 MBN [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 c1cc(cnc1)O 71A [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 c1cc[nH+]c(c1)N 2AP [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 c1ccc(cc1)Cl 8CL [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 c1ccc(cc1)I PIH [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 c1ccc(cc1)N ANL [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 c1ccc(cc1)O IPH [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 c1ccc(cc1)S BT6 [1,0,0,1,0,0|1,1,0]=4 71 B7R1.3 c1ccc(cc1)[Hg] PHG [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 c1ccnc(c1)S PYS [1,0,0,1,0,0|1,1,0]=4 73 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.1 c1csc(n1)C=O KTH [1,0,0,1,0,0|2,0,0]=4 75 B9R1.13 C1N=CC(=N1)CC(=O)O IZC [0,1,0,1,0,0|1,0,1]=4 76 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,1,0,1,0,0|1,0,0]=3 77 B9R1.34 Cc1cc(cc(c1)O)C ERH [0,1,0,1,0,0|1,0,0]=3 78 B9R1.34 Cc1cc(nc(c1)N)C 71L [0,1,0,1,0,0|2,0,0]=4 79 B9R1.34 Cc1cc(nc(n1)O)O 6MU [0,1,0,1,0,0|2,0,0]=4 80 B9R1.34 c1c(cc(cc1O)O)O 13X [0,1,0,1,0,0|2,0,0]=4 81 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O BGX [0,1,0,1,0,0|0,0,2]=4 82 B9R1.41 Cc1ccsc1C(=O)O 60P [0,1,0,1,0,0|0,0,0]=2 83 B9R1.41 c1c(c(no1)O)C(=O)O GAG [0,1,0,1,0,0|2,0,0]=4 84 B9R1.1 C=Cc1ccc(cc1)O 4VP [0,1,0,1,0,0|1,0,1]=4 85 B9R1.1 CCc1ccc(cc1)O ETY [0,1,0,1,0,0|1,0,1]=4 86 B9R1.1 COc1ccc(cc1)O 4KS [0,1,0,1,0,0|2,0,0]=4 87 B9R1.1 c1cc(ccc1C=O)O HBA [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 Cc1cccc(c1)C#N 2HT [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 Cc1cccc(c1)CN ZF0 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.2 c1cc(cc(c1)Br)CN 4JH [0,1,0,1,0,0|2,0,0]=4 91 B9R1.2 c1cc(cc(c1)Cl)CN C2A [0,1,0,1,0,0|2,0,0]=4 92 B9R1.2 c1cc(cc(c1)F)CN ZDV [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 c1cc(cc(c1)I)CO IOB [0,1,0,1,0,0|2,0,0]=4 94 B9R1.2 c1cc(cc(c1)N)CN DBP [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 c1cc(cc(c1)O)CO 3HY [0,1,0,1,0,0|1,0,0]=3 96 B9R1.2 c1cc(nc(c1)Br)CO 4HU [0,1,0,1,0,0|2,0,0]=4 97 B9R1.3 CC1=C(C(=S)C=CO1)O TM4 [0,1,0,1,0,0|1,1,0]=4 98 B9R1.3 CC1=CC=CC(=S)N1O 6MH [0,1,0,1,0,0|0,1,0]=3 99 B9R1.3 CC1=CC=CN(C1=S)O 3MH [0,1,0,1,0,0|1,1,0]=4 100 B9R1.3 Cc1cccc(c1N)Cl 2CM [0,1,0,1,0,0|2,0,0]=4 101 B9R1.3 Cc1cccc(c1N)N 2C9 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.3 Cc1cccc(c1O)C 2MY [0,1,0,1,0,0|1,0,0]=3 103 B9R1.3 Cc1cccc(c1O)O MBD [0,1,0,1,0,0|0,0,1]=3 104 B9R1.3 c1cc(c(c(c1)Cl)Cl)O 5JF [0,1,0,1,0,0|2,0,0]=4 105 B9R1.3 c1cc(c(c(c1)Cl)O)O 3CE [0,1,0,1,0,0|1,0,1]=4 106 B9R1.3 c1cc(c(c(c1)F)O)F FFP [0,1,0,1,0,0|2,0,0]=4 107 B9R1.3 c1cc(c(c(c1)F)O)O 3FA [0,1,0,1,0,0|1,0,1]=4 108 B9R1.3 c1cc(c(c(c1)O)O)O PYG [0,1,0,1,0,0|1,0,1]=4 109 B9R1.5 C1=CC=C(C(=O)C=C1)O 0TR [0,1,0,1,0,0|0,0,1]=3 110 B9R1.5 N=C\1/C=CC=COC1=O 2X7 [0,1,0,1,0,0|0,0,1]=3 111 B9R1.11 COC(=O)c1cccs1 54D [0,1,0,1,0,0|1,0,0]=3 112 B9R1.21 c1cc(oc1CO)C=O FUX [0,1,0,1,0,0|1,0,1]=4 113 B9R1.6 CC(=O)c1ccccc1 AC0 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,1,0,1,0,0|1,0,1]=4 115 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,1,0,1,0,0|0,0,1]=3 116 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,1,0,1,0,0|1,0,1]=4 117 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,1,0,1,0,0|0,0,1]=3 118 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,1,0,1,0,0|0,0,1]=3 119 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,1,0,1,0,0|0,0,1]=3 121 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,1,0,1,0,0|2,0,0]=4 122 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,1,0,1,0,0|1,0,0]=3 123 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,1,0,1,0,0|2,0,0]=4 124 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,1,0,1,0,0|0,0,0]=2 126 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,1,0,1,0,0|1,0,0]=3 129 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,1,0,1,0,0|2,0,0]=4 130 B9R1.69 CC1=CC(=O)N(C=C1)O 4HO [0,1,0,1,0,0|2,0,0]=4 131 B9R1.69 CC1=CN(C(=S)C=C1)O 5MH [0,1,0,1,0,0|2,0,0]=4 132 B9R1.69 Cc1c(ccc(n1)N)Br 4JO [0,1,0,1,0,0|2,0,0]=4 133 B9R1.69 Cc1cc(ccc1Cl)O 43M [0,1,0,1,0,0|1,0,0]=3 134 B9R1.69 Cc1cc(ccc1O)N 4ZE [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 Cc1ccc(c(c1)C)C XBZ [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 Cc1ccc(c(c1)C)N 51S [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 Cc1ccc(c(c1)N)C XYD [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 Cc1ccc(c(c1)N)O 2AC [0,1,0,1,0,0|2,0,0]=4 139 B9R1.69 Cc1ccc(c(c1)O)O MCT [0,1,0,1,0,0|1,0,0]=3 140 B9R1.69 Cc1ccc(c(c1)S)O HT4 [0,1,0,1,0,0|1,1,0]=4 141 B9R1.69 Cc1ccc(c(c1)S)S TLD [0,1,0,1,0,0|1,1,0]=4 142 B9R1.69 Cc1ccc(cc1C)N 34A [0,1,0,1,0,0|2,0,0]=4 143 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,1,0,0|1,0,0]=3 144 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [0,1,0,1,0,0|2,0,0]=4 146 B9R1.69 c1cc(c(cc1F)O)O 3N8 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.69 c1cc(c(cc1O)Cl)Cl 5JD [0,1,0,1,0,0|2,0,0]=4 148 B9R1.69 c1cc(c(cc1O)O)O HQN [0,1,0,1,0,0|2,0,0]=4 149 B9R1.69 c1cc(c(cc1O)O)S TH0 [0,1,0,1,0,0|2,0,0]=4