0 B6R1.2 C[n+]1ccsc1 3MT [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Cc1[nH]ccn1 2MZ [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Cc1c[nH]cn1 4MZ [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 Cc1c[nH]nc1 4PZ [0,0,0,0,0,0|0,0,0]=0 4 B6R1.2 Cc1cc[nH]c1 5MP [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 Cn1cc[nH+]c1 1MZ [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 Cn1cccc1 MR3 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 c1[nH]nc(n1)N 3TR [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 c1c(cn[nH]1)Br BYZ [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 c1c(cn[nH]1)Cl JZ6 [0,0,0,0,0,0|1,0,0]=1 10 B6R1.2 c1c(cn[nH]1)I PYZ [0,0,0,0,0,0|1,0,0]=1 11 B6R1.2 c1c(nc[nH]1)Br ES3 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 c1cn[nH]c1N 3AX [0,0,0,0,0,0|3,0,0]=3 13 B5R1.1 c1[nH]cnn1 TRI [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 c1c[nH+]c[nH]1 IMD [1,0,0,0,0,0|2,0,0]=3 15 B5R1.1 c1c[nH]nc1 PZO [1,0,0,0,0,0|0,0,0]=1 16 B5R1.1 c1cscn1 LOM [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 C=C[n+]1cc[nH]c1 NVI [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 c1c([nH]cn1)CO MZ0 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 c1c(n[nH]n1)CO TA5 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.1 c1cscc1CN BVC [0,1,0,0,0,0|2,0,0]=3 21 B7R1.2 Cc1[nH]c(nn1)S YY1 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.2 Cc1c[nH+]c(s1)N 25T [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 Cc1cc(no1)N M3I [0,1,0,0,0,0|2,0,0]=3 24 B7R1.2 Cc1cc(on1)N MIO [0,1,0,0,0,0|3,0,0]=4 25 B7R1.2 Cc1csc(n1)N 24T [0,1,0,0,0,0|3,0,0]=4 26 B7R1.2 c1c(sc(n1)N)Cl 1DH [0,1,0,0,0,0|3,0,0]=4 27 B7R1.4 CN1C=CNC1=S MMZ [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 Cc1[nH+]ccn1C DMI [0,1,0,0,0,0|2,0,1]=4 29 B7R1.4 Cc1csc[n+]1C DTI [0,1,0,0,0,0|3,0,0]=4 30 B7R1.3 Cc1ccccc1 MBN [0,0,0,0,0,1|2,0,0]=3 31 B7R1.3 Cc1cccnc1 3MP [0,0,0,0,0,1|1,0,0]=2 32 B7R1.3 Cc1ccnnc1 DKG [0,0,0,0,0,1|0,0,1]=2 33 B7R1.3 c1c[nH+]ccc1N 4AP [0,0,0,0,0,1|2,0,1]=4 34 B7R1.3 c1cc(c[nH+]c1)N 3AP [0,0,0,0,0,1|2,0,1]=4 35 B7R1.3 c1cc(cnc1)O 71A [0,0,0,0,0,1|2,0,0]=3 36 B7R1.3 c1cc[nH+]c(c1)N 2AP [0,0,0,0,0,1|3,0,0]=4 37 B7R1.3 c1ccc(cc1)Cl 8CL [0,0,0,0,0,1|3,0,0]=4 38 B7R1.3 c1ccc(cc1)I PIH [0,0,0,0,0,1|3,0,0]=4 39 B7R1.3 c1ccc(cc1)N ANL [0,0,0,0,0,1|3,0,0]=4 40 B7R1.3 c1ccc(cc1)O IPH [0,0,0,0,0,1|3,0,0]=4 41 B7R1.3 c1ccc(cc1)S BT6 [0,0,0,0,0,1|3,0,0]=4 42 B7R1.3 c1ccc(cc1)[Hg] PHG [0,0,0,0,0,1|3,0,0]=4 43 B7R1.3 c1ccnc(c1)S PYS [0,0,0,0,0,1|3,0,0]=4 44 B4R0.1 C(=N)(N)NN AGU [1,0,1,0,0,0|2,0,0]=4 45 B4R0.1 C=CC(=O)N 1HC [1,0,1,0,0,0|2,0,0]=4 46 B4R0.1 CC(=C)C=C 61G [1,0,1,0,0,0|1,0,0]=3 47 B4R0.1 CC(=C)CN IRS [1,0,1,0,0,0|0,0,1]=3 48 B4R0.1 CC(=O)C=O PVL [1,0,1,0,0,0|2,0,0]=4 49 B4R0.1 CC(=O)CN GCM [1,0,1,0,0,0|1,0,1]=4 50 B4R0.1 CC(=O)CN GLM [1,0,1,0,0,0|1,0,1]=4 51 B4R0.1 CC(=O)NC NML [1,0,1,0,0,0|2,0,0]=4 52 B4R0.1 CC(=O)NO HAE [1,0,1,0,0,0|2,0,0]=4 53 B4R0.1 CC=C(C)C 2MB [1,0,1,0,0,0|1,0,1]=4 54 B4R0.1 C[C@@H](C=O)N 5XU [1,0,1,0,0,0|1,0,1]=4 55 B4R0.2 C/C=C/C=O CRD [1,0,1,0,0,0|2,0,0]=4 56 B4R0.2 CC/C=N\O PXO [1,0,1,0,0,0|1,0,1]=4 57 B8R1.2 CCc1ccccc1 N2B [0,1,0,0,0,1|2,0,0]=4 58 B8R1.2 CCc1ccccc1 PYJ [0,1,0,0,0,1|2,0,0]=4 59 B8R1.2 CNc1ccccc1 1MR [0,1,0,0,0,1|2,0,0]=4 60 B8R1.2 COc1cccnc1 282 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.2 CSc1ccccc1 16R [0,1,0,0,0,1|2,0,0]=4 62 B8R1.2 c1cc(cnc1)CN 0YC [0,1,0,0,0,1|1,0,0]=3 63 B8R1.2 c1cc(cnc1)CO PYF [0,1,0,0,0,1|1,0,0]=3 64 B8R1.2 c1cc(cnc1)CS PY2 [0,1,0,0,0,1|1,0,0]=3 65 B8R1.2 c1ccc(cc1)CCl 9CL [0,1,0,0,0,1|2,0,0]=4 66 B8R1.2 c1ccc(cc1)CN ABN [0,1,0,0,0,1|2,0,0]=4 67 B8R1.2 c1ccc(cc1)CO 010 [0,1,0,0,0,1|2,0,0]=4 68 B8R1.2 c1ccnc(c1)CN APY [0,1,0,0,0,1|2,0,0]=4 69 B8R1.2 c1cnccc1CN NNW [0,1,0,0,0,1|1,0,0]=3 70 B8R1.2 c1cnccc1CO PY7 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.3 C1=CC(=O)NC=C1Br 4HS [0,1,0,0,0,1|2,0,0]=4 72 B8R1.3 Cc1ccc(cc1)C PXY [0,1,0,0,0,1|2,0,0]=4 73 B8R1.3 Cc1ccc(cc1)N 4MN [0,1,0,0,0,1|2,0,0]=4 74 B8R1.3 Cc1ccc(cc1)O PCR [0,1,0,0,0,1|2,0,0]=4 75 B8R1.3 Cc1ccc(nc1)N LG4 [0,1,0,0,0,1|1,0,0]=3 76 B8R1.3 Cc1cnc(cn1)C 25R [0,1,0,0,0,1|1,0,0]=3 77 B8R1.3 c1cc(ncc1N)Br 4JN [0,1,0,0,0,1|2,0,0]=4 78 B8R1.3 c1cc(ncc1N)N DA1 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.4 C1=C(NC(=O)N=C1)N CYT [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 C1=CNC(=O)NC1=O URA [0,1,0,0,0,1|2,0,0]=4 81 B8R1.4 C1=CNC(=S)NC1=O TUL [0,1,0,0,0,1|2,0,0]=4 82 B8R1.4 CC1=CC(=S)NC=C1 4H2 [0,1,0,0,0,1|1,0,0]=3 83 B8R1.4 CN1CC=CC(=C1)N LG5 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.4 Cc1cccc(c1)O CRS [0,1,0,0,0,1|2,0,0]=4 85 B8R1.4 Cc1cccc(c1)S M3T [0,1,0,0,0,1|2,0,0]=4 86 B8R1.4 Cc1cccc(n1)N 71M [0,1,0,0,0,1|2,0,0]=4 87 B8R1.4 Cc1ccnc(c1)N BVF [0,1,0,0,0,1|1,0,0]=3 88 B8R1.4 c1c(nc(cn1)Cl)N CIG [0,1,0,0,0,1|2,0,0]=4 89 B8R1.4 c1cnc(nc1N)N LG3 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.5 Cc1ccccc1C OXE [0,1,0,0,0,1|2,0,0]=4 91 B8R1.5 Cc1ccccc1I 2IB [0,1,0,0,0,1|2,0,0]=4 92 B8R1.5 Cc1ccccc1N 51V [0,1,0,0,0,1|2,0,0]=4 93 B8R1.5 Cc1ccccc1O JZ0 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.5 c1cc(c(nc1)O)O 8LG [0,1,0,0,0,1|2,0,0]=4 95 B8R1.8 c1c(nc[nH]1)CCN HSM [0,2,0,0,0,0|2,0,0]=4 96 B8R1.11 C1CC(=O)C(=C1)CO 3RN [0,2,0,0,0,0|2,0,0]=4 97 B8R1.11 Cc1ccsc1CN 02T [0,2,0,0,0,0|2,0,0]=4 98 B8R1.11 Cn1cncc1C=O 280 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.18 CC1=C[C@@H](OC1=O)O H3M [0,2,0,0,0,0|2,0,0]=4 100 B6R1.1 B1C=CC=CN1 B20 [0,0,1,1,0,0|1,0,1]=4 101 B6R1.1 c1ccncc1 0PY [0,0,1,1,0,0|1,0,1]=4 102 B6R1.1 c1cncnc1 P1R [0,0,1,1,0,0|2,0,0]=4