0 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,0|2,0,1]=4 19 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 c1cc(cnc1)CN 0YC [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 c1cc(cnc1)CO PYF [1,0,0,0,0,0|1,0,2]=4 26 B8R1.2 c1cc(cnc1)CS PY2 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 c1ccnc(c1)CN APY [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,1,0,0,0,0|2,0,0]=3 32 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [0,1,0,0,0,0|2,0,0]=3 42 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,0|2,0,0]=3 43 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,0|2,0,1]=4 44 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,0|2,0,0]=3 45 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,1,0,0,0,0|3,0,0]=4 47 B10R1.28 CS(=O)(=O)c1ccccc1 SML [0,1,0,0,0,0|3,0,0]=4 48 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.61 CC(=O)c1ccccc1N VNJ [0,1,0,0,0,0|2,0,0]=3 50 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,1,0,0,0,0|3,0,0]=4 51 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [0,1,0,0,0,0|3,0,0]=4 52 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,1,0,0,0,0|2,0,0]=3 53 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,1,0,0,0,0|2,0,0]=3 54 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,1,0,0,0,0|3,0,0]=4 55 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,1,0,0,0,0|3,0,0]=4 58 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,1,0,0,0,0|3,0,0]=4 60 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,1,0,0,0,0|3,0,0]=4 61 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,1,0,0,0,0|2,0,0]=3 62 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,1,0,0,0,0|2,0,0]=3 63 B10R1.113 c1c(cncc1Br)C(=O)N BRT [0,1,0,0,0,0|2,0,0]=3 64 B10R1.113 c1c(cncc1O)C(=O)O 5HN [0,1,0,0,0,0|2,0,0]=3 65 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,1,0,0,0,0|3,0,0]=4 66 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,1,0,0,0,0|3,0,0]=4 67 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,1,0,0,0,0|3,0,0]=4 68 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,1,0,0,0,0|3,0,0]=4 69 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,1,0,0,0,0|3,0,0]=4 70 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,1,0,0,0,0|2,0,0]=3 71 B8R1.7 N=C(/c1ccsc1)\N TP5 [0,0,0,0,1,0|3,0,0]=4 72 B8R1.7 c1c(ncs1)C(=O)O TZO [0,0,0,0,1,0|2,0,0]=3 73 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,0,1,0|1,0,1]=3 74 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,1,0|2,0,0]=3 75 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,1,0|2,0,0]=3 76 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,0,0,0,1,0|3,0,0]=4 77 B8R1.7 c1ncn(n1)C(=[NH2+])N TZC [0,0,0,0,1,0|3,0,0]=4 78 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,0,1|3,0,0]=4 80 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,0,1|3,0,0]=4 81 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|2,0,0]=4 82 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|1,0,0]=3 83 B7R1.3 Cc1ccnnc1 DKG [2,0,0,0,0,0|2,0,0]=4 84 B7R1.3 c1cc(cnc1)O 71A [2,0,0,0,0,0|1,0,1]=4 85 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|1,1,0]=4 86 B9R1.1 c1cc(ccc1C=O)O HBA [1,1,0,0,0,0|2,0,0]=4 87 B9R1.8 c1cc(cnc1)CCN 45X [1,1,0,0,0,0|1,0,1]=4 88 B9R1.8 c1ccc(cc1)CC=O HY1 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.8 c1ccc(cc1)NC=O FAN [1,1,0,0,0,0|2,0,0]=4 90 B9R1.15 c1ccc(c(c1)C=O)O NK [1,1,0,0,0,0|2,0,0]=4 91 B9R1.11 COC(=O)c1cccs1 54D [0,1,0,0,1,0|1,0,0]=3 92 B9R1.11 COC(=O)c1cn[nH]n1 T45 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,1,0,0,1,0|2,0,0]=4 94 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,1,0,0,1,0|1,0,1]=4 95 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,1,0,0,1,0|2,0,0]=4 100 B9R1.41 Cc1ccsc1C(=O)O 60P [0,1,0,0,1,0|2,0,0]=4 101 B9R1.41 c1(c(non1)O)C(=O)O OXQ [0,1,0,0,1,0|2,0,0]=4 102 B9R1.41 c1(c(nsn1)O)C(=O)O GBD [0,1,0,0,1,0|2,0,0]=4 103 B9R1.41 c1[nH]c(c(n1)C(=O)N)N 5AC [0,1,0,0,1,0|1,0,1]=4 104 B9R1.41 c1c(c(no1)O)C(=O)O GAG [0,1,0,0,1,0|2,0,0]=4 105 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,0,1|2,0,0]=4 106 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,0,1|2,0,0]=4 107 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,0,0,0,1|2,0,0]=4 108 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [0,2,0,0,0,0|2,0,0]=4 109 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [0,2,0,0,0,0|2,0,0]=4 110 B11R1.22 COC(=O)c1ccc(cc1)O MPB [0,2,0,0,0,0|2,0,0]=4 111 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,2,0,0,0,0|2,0,0]=4 112 B11R1.16 CCCC(=O)c1cccnc1 PBO [0,2,0,0,0,0|1,0,0]=3 113 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.222 CNC(=O)c1ccccc1I N1M [0,2,0,0,0,0|2,0,0]=4 116 B11R1.53 CC(C)c1c(nccn1)OC IPZ [0,2,0,0,0,0|1,0,1]=4 117 B9R1.5 N=C\1/C=CC=COC1=O 2X7 [0,0,1,1,0,0|2,0,0]=4 118 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,1,0,1,0,0|2,0,0]=4 119 B11R2.1 c1cnc2c(n1)c(cs2)N SVN [0,1,0,1,0,0|1,0,1]=4 120 B7R1.1 CCc1[nH]ccn1 2EZ [1,0,0,0,1,0|0,0,2]=4 121 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,0,1,0|1,0,0]=3 122 B7R1.1 c1csc(n1)C=O KTH [1,0,0,0,1,0|1,0,0]=3 123 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,2|2,0,0]=4