0 B7R1.1 CCc1[nH]ccn1 2EZ [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 c1c([nH]cn1)CO MZ0 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 c1c(n[nH]n1)CO TA5 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 c1cc(oc1)C=O FU2 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.1 c1cnc([nH]1)CO BVG [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 c1csc(n1)C=O KTH [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 c1cscc1CN BVC [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 C1=CNC(=S)N1 MZY [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 C[n+]1ccsc1 3MT [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 Cc1[nH]ccn1 2MZ [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 Cc1c[nH]cn1 4MZ [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 Cc1c[nH]nc1 4PZ [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 Cn1cc[nH+]c1 1MZ [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 Cn1cccc1 MR3 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 c1c(nc[nH]1)Br ES3 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 c1cn[nH]c1N 3AX [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 c1cnc([nH]1)Cl 5KX [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 c1cnc([nH]1)N 2AI [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 c1csc(n1)N AMT [1,0,0,0,0,0|2,1,0]=4 20 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,1,0,0,0,0|2,0,1]=4 21 B8R1.7 c1cc(oc1)C(=O)O FOA [0,1,0,0,0,0|1,0,1]=3 22 B8R1.7 c1cc(sc1)C(=O)O C21 [0,1,0,0,0,0|1,1,1]=4 23 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,1,0,0,0,0|2,1,0]=4 24 B8R1.8 c1c(nc[nH]1)CCN HSM [0,1,0,0,0,0|2,0,0]=3 25 B8R1.8 c1cc(oc1)CCN 56T [0,1,0,0,0,0|0,0,0]=1 26 B8R1.8 c1cc(sc1)\C=N/O JZ5 [0,1,0,0,0,0|1,1,1]=4 27 B8R1.8 c1cnn(c1)CCO 1DU [0,1,0,0,0,0|2,0,0]=3 28 B8R1.11 C1=CO[C@H]([C@@H]1O)CO R2G [0,1,0,0,0,0|1,0,2]=4 29 B8R1.11 Cc1ccsc1CN 02T [0,1,0,0,0,0|1,1,0]=3 30 B8R1.11 Cn1cccc1CN 278 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 CCC(=O)OCC CA1 [0,0,1,0,0,0|1,0,2]=4 32 B8R1.2 B1(C=CC=CN1)CC 6OQ [0,0,0,0,0,1|2,0,0]=3 33 B8R1.2 B1C=CC=CN1CC B24 [0,0,0,0,0,1|2,0,0]=3 34 B8R1.2 C=Cc1ccccc1 SYN [0,0,0,0,0,1|1,0,2]=4 35 B8R1.2 CCc1ccccc1 N2B [0,0,0,0,0,1|1,0,0]=2 36 B8R1.2 CCc1ccccc1 PYJ [0,0,0,0,0,1|1,0,0]=2 37 B8R1.2 CNc1ccccc1 1MR [0,0,0,0,0,1|2,0,0]=3 38 B8R1.2 COc1cccnc1 282 [0,0,0,0,0,1|2,0,0]=3 39 B8R1.2 CSc1ccccc1 16R [0,0,0,0,0,1|2,0,0]=3 40 B8R1.2 c1cc(cnc1)CN 0YC [0,0,0,0,0,1|2,0,0]=3 41 B8R1.2 c1cc(cnc1)CO PYF [0,0,0,0,0,1|2,0,0]=3 42 B8R1.2 c1cc(cnc1)CS PY2 [0,0,0,0,0,1|2,0,0]=3 43 B8R1.2 c1ccc(cc1)C=O HBX [0,0,0,0,0,1|2,0,1]=4 44 B8R1.2 c1ccc(cc1)CCl 9CL [0,0,0,0,0,1|2,0,0]=3 45 B8R1.2 c1ccc(cc1)CN ABN [0,0,0,0,0,1|2,0,0]=3 46 B8R1.2 c1ccc(cc1)CO 010 [0,0,0,0,0,1|2,0,0]=3 47 B8R1.2 c1ccc(cc1)N=O NBE [0,0,0,0,0,1|3,0,0]=4 48 B8R1.2 c1ccc(cc1)NN PHZ [0,0,0,0,0,1|3,0,0]=4 49 B8R1.2 c1ccc(cc1)[As]=O PA0 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 c1ccnc(c1)CN APY [0,0,0,0,0,1|2,0,0]=3 51 B8R1.2 c1cnccc1CN NNW [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 c1cnccc1CO PY7 [0,0,0,0,0,1|2,0,0]=3 53 B5R0.1 CC=CC(=O)O BEO [1,0,1,0,0,0|1,0,1]=4 54 B5R0.2 C(=CC=O)C=O 2FU [1,0,1,0,0,0|1,0,1]=4 55 B5R0.2 CCC/C=N\O BXO [1,0,1,0,0,0|1,0,1]=4 56 B5R1.1 c1c[nH+]c[nH]1 IMD [2,0,0,0,0,0|2,0,0]=4 57 B5R1.1 c1c[nH]nc1 PZO [2,0,0,0,0,0|2,0,0]=4 58 B5R1.1 c1cscn1 LOM [2,0,0,0,0,0|1,1,0]=4 59 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,1,1,0,0,0|1,0,1]=4 60 B7R1.2 Cc1c[nH+]c(s1)N 25T [1,1,0,0,0,0|1,1,0]=4 61 B7R1.2 Cc1cc(no1)N M3I [1,1,0,0,0,0|1,0,0]=3 62 B7R1.2 Cc1cc(on1)N MIO [1,1,0,0,0,0|2,0,0]=4 63 B7R1.2 Cc1csc(n1)N 24T [1,1,0,0,0,0|2,0,0]=4 64 B7R1.4 Cc1[nH+]ccn1C DMI [1,1,0,0,0,0|2,0,0]=4 65 B7R1.4 Cc1csc[n+]1C DTI [1,1,0,0,0,0|2,0,0]=4 66 B9R1.1 CCc1ccc(cc1)O ETY [0,1,0,0,0,1|1,0,0]=3 67 B9R1.1 COc1ccc(cc1)Br BOP [0,1,0,0,0,1|2,0,0]=4 68 B9R1.1 COc1ccc(cc1)O 4KS [0,1,0,0,0,1|2,0,0]=4 69 B9R1.1 CSc1ccc(cc1)N 4JM [0,1,0,0,0,1|2,0,0]=4 70 B9R1.1 C[n+]1ccc(cc1)CN NNK [0,1,0,0,0,1|2,0,0]=4 71 B9R1.1 Cc1ccc(cc1)CN 02N [0,1,0,0,0,1|2,0,0]=4 72 B9R1.1 c1cc(ccc1CN)Br PZH [0,1,0,0,0,1|2,0,0]=4 73 B9R1.1 c1cc(ccc1CN)Cl C2B [0,1,0,0,0,1|2,0,0]=4 74 B9R1.1 c1cc(ccc1CN)N 4ZY [0,1,0,0,0,1|2,0,0]=4 75 B9R1.1 c1cc(ccc1CO)Br BRB [0,1,0,0,0,1|2,0,0]=4 76 B9R1.1 c1cc(ccc1CO)Cl 4JL [0,1,0,0,0,1|2,0,0]=4 77 B9R1.1 c1cc(ccc1C[NH3+])F FBA [0,1,0,0,0,1|2,0,0]=4 78 B9R1.2 C[n+]1cccc(c1)CN NNJ [0,1,0,0,0,1|2,0,0]=4 79 B9R1.2 Cc1cccc(c1)CN ZF0 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.2 c1cc(cc(c1)Br)CN 4JH [0,1,0,0,0,1|2,0,0]=4 81 B9R1.2 c1cc(cc(c1)Cl)CN C2A [0,1,0,0,0,1|2,0,0]=4 82 B9R1.2 c1cc(cc(c1)F)CN ZDV [0,1,0,0,0,1|2,0,0]=4 83 B9R1.2 c1cc(cc(c1)I)CO IOB [0,1,0,0,0,1|2,0,0]=4 84 B9R1.2 c1cc(cc(c1)N)CN DBP [0,1,0,0,0,1|2,0,0]=4 85 B9R1.2 c1cc(cc(c1)O)CO 3HY [0,1,0,0,0,1|2,0,0]=4 86 B9R1.2 c1cc(nc(c1)Br)CO 4HU [0,1,0,0,0,1|2,0,0]=4 87 B9R1.2 c1cnc(cc1Cl)CN NNY [0,1,0,0,0,1|2,0,0]=4 88 B9R1.2 c1cnc(cc1Cl)CO HM3 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.6 CC(=O)c1ccccc1 AC0 [0,1,0,0,0,1|1,0,1]=4 90 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,1,0,0,0,1|1,0,0]=3 91 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,1,0,0,0,1|1,0,0]=3 92 B9R1.6 C[C@H](c1ccccc1)N QSC [0,1,0,0,0,1|1,0,0]=3 93 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,1,0,0,0,1|1,0,0]=3 94 B9R1.8 CCCc1ccccc1 3H0 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.8 CCO[C@@H]1CCC=CO1 JZ7 [0,1,0,0,0,1|0,0,2]=4 96 B9R1.8 CCOc1ccccc1 16Q [0,1,0,0,0,1|1,0,0]=3 97 B9R1.8 CCSc1ccccc1 16M [0,1,0,0,0,1|1,0,0]=3 98 B9R1.8 CNCc1ccccc1 271 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.8 CSCc1ccccc1 PTF [0,1,0,0,0,1|1,0,0]=3 100 B9R1.8 c1cc(cnc1)CCN 45X [0,1,0,0,0,1|1,0,0]=3 101 B9R1.8 c1ccc(cc1)CC=O HY1 [0,1,0,0,0,1|1,0,1]=4 102 B9R1.8 c1ccc(cc1)CCCl CEE [0,1,0,0,0,1|1,0,0]=3 103 B9R1.8 c1ccc(cc1)CCO PEL [0,1,0,0,0,1|1,0,0]=3 104 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [0,1,0,0,0,1|1,0,0]=3 105 B9R1.8 c1ccc(cc1)CNN BZZ [0,1,0,0,0,1|2,0,0]=4 106 B9R1.8 c1ccc(cc1)CON OBZ [0,1,0,0,0,1|2,0,0]=4 107 B9R1.15 CCc1ccccc1O JZ1 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.15 COc1ccccc1O JZ3 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.15 C[n+]1ccccc1CN NNZ [0,1,0,0,0,1|2,0,0]=4 110 B9R1.15 Cc1ccccc1CN KNN [0,1,0,0,0,1|2,0,0]=4 111 B9R1.15 c1ccc(c(c1)CN)Cl 02R [0,1,0,0,0,1|2,0,0]=4 112 B9R1.15 c1ccc(c(c1)CO)Br 4HR [0,1,0,0,0,1|2,0,0]=4 113 B9R1.15 c1ccc(c(c1)CO)N SOA [0,1,0,0,0,1|2,0,0]=4 114 B9R1.15 c1ccc(c(c1)CO)O SA9 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.15 c1ccc(c(c1)CS)I IBZ [0,1,0,0,0,1|2,0,0]=4 116 B9R1.15 c1cncc(c1Cl)CN NNU [0,1,0,0,0,1|2,0,0]=4 117 B9R1.21 c1cc(oc1CO)C=O FUX [0,2,0,0,0,0|1,0,0]=3 118 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,2,0,0,0,0|1,0,1]=4 119 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,2,0,0,0,0|1,0,1]=4 120 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,2,0,0,0,0|1,0,1]=4 121 B9R1.11 CC[C@@H](C)c1nccs1 TZL [0,2,0,0,0,0|1,1,0]=4 122 B9R1.11 COC(=O)c1cccs1 54D [0,2,0,0,0,0|0,1,1]=4 123 B9R1.19 c1cc(oc1)S(=O)(=O)N EVG [0,2,0,0,0,0|2,0,0]=4 124 B9R1.12 c1cc(oc1)C\N=C/S 31E [0,2,0,0,0,0|0,0,1]=3 125 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,2,0,0,0,0|0,1,1]=4 126 B9R1.33 CNCc1nccn1C 4AS [0,2,0,0,0,0|2,0,0]=4 127 B9R1.33 Cc1c(scn1)CCO TZE [0,2,0,0,0,0|1,1,0]=4 128 B9R1.27 CCN1C(=O)C=CC1=O NEQ [0,2,0,0,0,0|2,0,0]=4 129 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,1,1,0,0|0,0,2]=4 130 B7R1.3 c1cc(cnc1)O 71A [0,0,1,1,0,0|1,0,1]=4 131 B7R1.3 c1ccc(cc1)O IPH [0,0,1,1,0,0|0,0,2]=4