0 B7R0.1 CCCCCCCO HE4 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|0,0,3]=4 2 B6R0.6 CCCSCCO 266 [1,0,0,0,0,0|1,0,2]=4 3 B8R1.2 B1(C=CC=CN1)CC 6OQ [0,0,0,1,0,0|2,0,1]=4 4 B8R1.2 B1C=CC=CN1CC B24 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.2 CCc1ccccc1 N2B [0,0,0,1,0,0|1,0,1]=3 6 B8R1.2 CCc1ccccc1 PYJ [0,0,0,1,0,0|1,0,1]=3 7 B8R1.2 CNc1ccccc1 1MR [0,0,0,1,0,0|2,0,1]=4 8 B8R1.2 COc1cccnc1 282 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 CSc1ccccc1 16R [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 c1cc(cnc1)CN 0YC [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 c1cc(cnc1)CO PYF [0,0,0,1,0,0|1,0,1]=3 12 B8R1.2 c1cc(cnc1)CS PY2 [0,0,0,1,0,0|1,1,1]=4 13 B8R1.2 c1ccc(cc1)CCl 9CL [0,0,0,1,0,0|1,0,2]=4 14 B8R1.2 c1ccc(cc1)CN ABN [0,0,0,1,0,0|1,0,2]=4 15 B8R1.2 c1ccc(cc1)CO 010 [0,0,0,1,0,0|0,0,2]=3 16 B8R1.2 c1ccnc(c1)CN APY [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 c1cnccc1CO PY7 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.5 Cc1ccccc1C OXE [0,0,0,1,0,0|1,0,2]=4 19 B8R1.5 Cc1ccccc1I 2IB [0,0,0,1,0,0|1,0,2]=4 20 B8R1.5 Cc1ccccc1N 51V [0,0,0,1,0,0|1,0,2]=4 21 B8R1.5 Cc1ccccc1O JZ0 [0,0,0,1,0,0|0,0,2]=3 22 B8R1.5 c1cc[n+](c(c1)S)O BEW [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 c1ccc(c(c1)N)O 2AF [0,0,0,1,0,0|1,0,2]=4 24 B8R1.5 c1ccc(c(c1)O)Br 2BR [0,0,0,1,0,0|1,0,2]=4 25 B8R1.5 c1ccc(c(c1)O)Cl 2CH [0,0,0,1,0,0|1,0,2]=4 26 B8R1.5 c1ccc(c(c1)O)F FP2 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.5 c1ccc(c(c1)O)I 6X8 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.5 c1ccc(c(c1)O)O CAQ [0,0,0,1,0,0|1,0,2]=4 29 B8R1.5 c1ccc(c(c1)O)S HTS [0,0,0,1,0,0|1,0,2]=4 30 B8R1.8 c1cc(oc1)CCN 56T [0,0,0,1,0,0|1,0,2]=4 31 B8R1.8 c1cc(sc1)\C=N/O JZ5 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.11 C1=CO[C@H]([C@@H]1O)CO R2G [0,0,0,1,0,0|2,0,1]=4 33 B8R1.11 Cc1ccsc1CN 02T [0,0,0,1,0,0|2,0,1]=4 34 B8R1.11 Cn1cccc1CN 278 [0,0,0,1,0,0|2,0,0]=3 35 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|1,0,1]=4 36 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 37 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,2]=4 38 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,1]=4 39 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|1,0,1]=4 40 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,2,0,0,0,0|0,0,2]=4 41 B9R0.47 C(\C=C\C=C(\C(=O)O)/O)O 6OA [0,2,0,0,0,0|1,0,1]=4 42 B7R1.1 CCc1[nH]ccn1 2EZ [1,0,0,1,0,0|2,0,0]=4 43 B7R1.1 c1c([nH]cn1)CO MZ0 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.1 c1cnc([nH]1)CO BVG [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|0,0,2]=4 47 B7R1.3 Cc1ccccc1 MBN [1,0,0,1,0,0|0,0,2]=4 48 B7R1.3 Cc1cccnc1 3MP [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 c1cc(cnc1)O 71A [1,0,0,1,0,0|1,0,1]=4 50 B7R1.3 c1ccc(cc1)O IPH [1,0,0,1,0,0|0,0,2]=4 51 B7R1.4 Cc1[nH+]ccn1C DMI [1,0,0,1,0,0|2,0,0]=4 52 B7R1.4 Cc1csc[n+]1C DTI [1,0,0,1,0,0|2,0,0]=4 53 B9R1.2 C[n+]1cccc(c1)CN NNJ [0,1,0,1,0,0|2,0,0]=4 54 B9R1.2 Cc1cccc(c1)CN ZF0 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.2 c1cc(cc(c1)I)CO IOB [0,1,0,1,0,0|0,0,2]=4 56 B9R1.2 c1cc(cc(c1)O)CO 3HY [0,1,0,1,0,0|0,0,2]=4 57 B9R1.2 c1cc(nc(c1)Br)CO 4HU [0,1,0,1,0,0|1,0,1]=4 58 B9R1.2 c1cnc(cc1Cl)CO HM3 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.8 CCCc1ccccc1 3H0 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.8 CCOc1ccccc1 16Q [0,1,0,1,0,0|1,0,1]=4 61 B9R1.8 CCSc1ccccc1 16M [0,1,0,1,0,0|1,0,1]=4 62 B9R1.8 CNCc1ccccc1 271 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.8 CSCc1ccccc1 PTF [0,1,0,1,0,0|1,0,1]=4 64 B9R1.8 c1cc(cnc1)CCN 45X [0,1,0,1,0,0|2,0,0]=4 65 B9R1.8 c1ccc(cc1)CCCl CEE [0,1,0,1,0,0|1,0,1]=4 66 B9R1.8 c1ccc(cc1)CCO PEL [0,1,0,1,0,0|0,0,2]=4 67 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [0,1,0,1,0,0|1,0,1]=4 68 B9R1.8 c1ccc(cc1)CON OBZ [0,1,0,1,0,0|0,0,2]=4 69 B9R1.15 CCc1ccccc1O JZ1 [0,1,0,1,0,0|0,0,1]=3 70 B9R1.15 COc1ccccc1O JZ3 [0,1,0,1,0,0|0,0,2]=4 71 B9R1.15 C[n+]1ccccc1CN NNZ [0,1,0,1,0,0|1,0,1]=4 72 B9R1.15 Cc1ccccc1CN KNN [0,1,0,1,0,0|1,0,1]=4 73 B9R1.15 c1ccc(c(c1)CO)Br 4HR [0,1,0,1,0,0|0,0,2]=4 74 B9R1.15 c1ccc(c(c1)CO)N SOA [0,1,0,1,0,0|0,0,2]=4 75 B9R1.15 c1ccc(c(c1)CO)O SA9 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.69 Cc1cc(ccc1O)N 4ZE [0,1,0,1,0,0|0,0,2]=4 77 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.1 CCc1ccc(cc1)O ETY [0,1,0,1,0,0|1,0,1]=4 79 B9R1.1 c1cc(ccc1CO)Br BRB [0,1,0,1,0,0|0,0,2]=4 80 B9R1.1 c1cc(ccc1CO)Cl 4JL [0,1,0,1,0,0|0,0,2]=4 81 B9R1.3 CC1=CC=CC(=S)N1O 6MH [0,1,0,1,0,0|1,0,1]=4 82 B9R1.3 C[C@H]1C=COC(=O)[C@H]1N 0AB [0,1,0,1,0,0|2,0,0]=4 83 B9R1.3 Cc1cccc(c1O)C 2MY [0,1,0,1,0,0|0,0,2]=4 84 B9R1.3 Cc1cccc(c1O)O MBD [0,1,0,1,0,0|0,0,2]=4 85 B9R1.21 c1cc(oc1CO)C=O FUX [0,1,0,1,0,0|1,0,1]=4 86 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,1,0,1,0,0|1,0,1]=4 87 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.6 C[C@H](c1ccccc1)N QSC [0,1,0,1,0,0|1,0,1]=4 89 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,1,0,1,0,0|0,0,2]=4