0 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O BGX [0,0,0,0,0,0|3,0,1]=4 1 B9R1.41 Cc1ccsc1C(=O)O 60P [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 c1c(ncs1)C(=O)O TZO [1,0,0,0,0,0|2,0,1]=4 3 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [1,0,0,0,0,0|1,0,0]=2 4 B8R1.7 c1cc(oc1)C(=O)O FOA [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 c1cc(sc1)C(=O)O C21 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.11 Cn1cccc1CN 278 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.11 Cn1cncc1C=O 280 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.59 Cn1cc(cc1C(=O)O)N PYB [0,1,0,0,0,0|1,0,0]=2 10 B10R1.59 Cn1cc(nc1C(=O)O)N IMT [0,1,0,0,0,0|2,0,0]=3 11 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,0,0,0,0,1|3,0,0]=4 12 B10R1.61 CC(=O)c1ccccc1N VNJ [0,0,0,0,0,1|2,0,0]=3 13 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,0,0,0,0,1|2,0,0]=3 14 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,0,0,0,0,1|3,0,0]=4 15 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,0,0,0,0,1|3,0,0]=4 16 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,0,0,0,0,1|3,0,0]=4 17 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,0,0,0,0,1|3,0,0]=4 18 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,0,0,0,0,1|3,0,0]=4 20 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,0,0,0,0,1|3,0,0]=4 22 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,0,0,0,0,1|3,0,0]=4 23 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,0,0,0,0,1|3,0,0]=4 24 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,0,0,0,0,1|2,0,0]=3 25 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,0,0,0,0,1|2,0,0]=3 26 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [0,0,0,0,0,1|3,0,0]=4 27 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,0,0,0,0,1|3,0,0]=4 28 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,0,0,0,0,1|3,0,0]=4 30 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,0,0,0,0,1|3,0,0]=4 31 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,0,0,0,0,1|3,0,0]=4 32 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,0,0,0,0,1|3,0,0]=4 33 B7R0.15 C/C=C(/C(=O)O)\NC MDH [1,0,1,0,0,0|1,0,1]=4 34 B7R1.1 CCc1[nH]ccn1 2EZ [2,0,0,0,0,0|1,0,1]=4 35 B7R1.1 c1cc(oc1)C=O FU2 [2,0,0,0,0,0|1,0,0]=3 36 B7R1.1 c1csc(n1)C=O KTH [2,0,0,0,0,0|1,0,1]=4 37 B7R1.4 CN1C=CNC1=S MMZ [2,0,0,0,0,0|1,1,0]=4 38 B7R1.4 Cc1[nH+]ccn1C DMI [2,0,0,0,0,0|1,0,0]=3 39 B7R1.4 Cc1csc[n+]1C DTI [2,0,0,0,0,0|1,0,1]=4 40 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,1,1,0,0,0|2,0,0]=4 41 B9R1.11 COC(=O)c1cccs1 54D [1,1,0,0,0,0|1,0,0]=3 42 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.35 c1c(coc1C(=O)O)N PJ7 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.35 c1cc(oc1C(=O)O)Br 14J [1,1,0,0,0,0|2,0,0]=4 46 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [1,1,0,0,0,0|2,0,0]=4 47 B9R1.33 CNCc1nccn1C 4AS [1,1,0,0,0,0|1,0,1]=4 48 B11R1.53 COc1ccccc1C(=O)O 71F [0,1,0,0,0,1|2,0,0]=4 49 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.222 CNC(=O)c1ccccc1I N1M [0,1,0,0,0,1|2,0,0]=4 52 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [0,1,0,0,0,1|2,0,0]=4 53 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [0,1,0,0,0,1|1,0,0]=3 54 B11R1.23 Cc1cccc(c1)C(=O)NN 45L [0,1,0,0,0,1|2,0,0]=4 55 B11R1.266 COc1cccc(c1)C(=O)N 3MB [0,1,0,0,0,1|2,0,0]=4 56 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [0,1,0,0,0,1|2,0,0]=4 57 B11R1.50 N=C(/c1cc(cn1C)CN)\N 01O [0,2,0,0,0,0|2,0,0]=4 58 B11R1.473 N=C(/c1ccc(n1C)CN)\N 01Q [0,2,0,0,0,0|2,0,0]=4 59 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,1,1,0,0|1,0,1]=4 60 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,0,0,1,0,1|1,0,0]=3 61 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,0,0,0,0,2|2,0,0]=4