0 B6R1.1 C1CCCCC1 CHX [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 C1CCNCC1 PIP [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1CCOCC1 PYE [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1CNCCN1 PZE [0,0,0,0,0,0|2,0,0]=2 4 B6R1.1 C1COCCN1 6LR [0,0,0,0,0,0|2,0,0]=2 5 B6R1.1 C1COCCO1 DIO [0,0,0,0,0,0|2,0,0]=2 6 B6R1.1 C1COCCO1 DOX [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1CC=CC(=O)C1 A2Q [0,1,0,0,0,0|0,0,3]=4 8 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,0,0,0|0,0,1]=2 9 B7R1.3 C1CCC(CC1)O CXL [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,0,0,0|0,0,0]=1 11 B7R1.3 C1CCNC(=N)C1 2IM [0,1,0,0,0,0|1,0,1]=3 12 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,0,0,0|1,0,1]=3 13 B5R0.2 C(CCN)CN PUT [0,0,1,0,0,0|2,0,0]=3 14 B5R0.2 C(CCO)CO BU1 [0,0,1,0,0,0|2,0,0]=3 15 B5R0.2 C(CCO)C[NH3+] 4HA [0,0,1,0,0,0|2,0,0]=3 16 B5R0.2 C(CN)CON XAP [0,0,1,0,0,0|3,0,0]=4 17 B5R0.2 CCC/C=N\O BXO [0,0,1,0,0,0|2,0,1]=4 18 B5R0.2 CCCCC=O PTL [0,0,1,0,0,0|1,0,1]=3 19 B5R0.2 CCCCCBr 5BR [0,0,1,0,0,0|1,0,0]=2 20 B5R0.2 CCCCCC HEX [0,0,1,0,0,0|0,0,0]=1 21 B5R0.2 CCCCCCl 7CL [0,0,1,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCN AML [0,0,1,0,0,0|1,0,0]=2 23 B5R0.2 CCCCCO PE9 [0,0,1,0,0,0|1,0,0]=2 24 B5R0.2 CCCC[N+]#[C-] NBN [0,0,1,0,0,0|1,0,1]=3 25 B5R0.2 CCOCCO ETX [0,0,1,0,0,0|2,0,0]=3 26 B5R0.2 CNCCCN N3D [0,0,1,0,0,0|2,0,0]=3 27 B5R0.2 COCCOC DXE [0,0,1,0,0,0|2,0,0]=3 28 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,1,0,0|1,0,0]=2 29 B5R1.1 C1CCNC1 VES [0,0,0,0,1,0|1,0,0]=2 30 B5R1.1 C1CCOC1 FU1 [0,0,0,0,1,0|1,0,0]=2 31 B4R0.2 C(CCl)CCl 0CL [1,0,1,0,0,0|2,0,0]=4 32 B4R0.2 C(CN)CBr 4LJ [1,0,1,0,0,0|2,0,0]=4 33 B4R0.2 C(CN)CN 13D [1,0,1,0,0,0|2,0,0]=4 34 B4R0.2 C(CN)CO 0D8 [1,0,1,0,0,0|2,0,0]=4 35 B4R0.2 C(CO)CCl 3CL [1,0,1,0,0,0|2,0,0]=4 36 B4R0.2 C(CO)CO HPG [1,0,1,0,0,0|2,0,0]=4 37 B4R0.2 C(CO)CO PDO [1,0,1,0,0,0|2,0,0]=4 38 B4R0.2 C(CS)CS PDT [1,0,1,0,0,0|2,0,0]=4 39 B4R0.2 CCCCBr BBU [1,0,1,0,0,0|1,0,0]=3 40 B4R0.2 CCCCC LNK [1,0,1,0,0,0|0,0,0]=2 41 B4R0.2 CCCCN LYT [1,0,1,0,0,0|1,0,0]=3 42 B4R0.2 CCCCO 1BO [1,0,1,0,0,0|1,0,0]=3 43 B4R0.2 CCC[N+]#[C-] NPN [1,0,1,0,0,0|1,0,1]=4 44 B4R0.2 CCOCC ETZ [1,0,1,0,0,0|1,0,0]=3 45 B4R0.2 CCOC[O-] EOM [1,0,1,0,0,0|2,0,0]=4 46 B4R0.2 COCCO MXE [1,0,1,0,0,0|2,0,0]=4 47 B4R0.2 COCC[O-] MOE [1,0,1,0,0,0|2,0,0]=4 48 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,1,0,0,0|2,0,0]=4 49 B6R0.1 CCC(=O)OCC CA1 [0,1,1,0,0,0|1,0,1]=4 50 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,1,0,0,0|1,0,0]=3 51 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,1,0,0,0|2,0,0]=4 52 B6R0.4 B(CCCC)(O)O BUB [0,1,1,0,0,0|2,0,0]=4 53 B6R0.4 CC(C)CCC=O MOP [0,1,1,0,0,0|1,0,1]=4 54 B6R0.4 CCCCC(=O)O LEA [0,1,1,0,0,0|1,0,1]=4 55 B6R0.4 CCCCC(=O)O PEI [0,1,1,0,0,0|1,0,1]=4 56 B6R0.4 CCCOC(=O)C 4PA [0,1,1,0,0,0|1,0,1]=4 57 B6R0.4 CN(C)CCCN DIB [0,1,1,0,0,0|2,0,0]=4 58 B6R0.6 C(CCN)CCN N2P [0,1,1,0,0,0|1,0,0]=3 59 B6R0.6 C(CCNN)CN 01H [0,1,1,0,0,0|2,0,0]=4 60 B6R0.6 C(CCO)CC=O GAQ [0,1,1,0,0,0|1,0,1]=4 61 B6R0.6 C(COCCO)O PEG [0,1,1,0,0,0|2,0,0]=4 62 B6R0.6 CCCCCCC HP6 [0,1,1,0,0,0|0,0,0]=2 63 B6R0.6 CCCCCCO HE2 [0,1,1,0,0,0|0,0,0]=2 64 B6R0.6 CCCCNC=O YIV [0,1,1,0,0,0|1,0,1]=4 65 B6R0.6 CCCSCCO 266 [0,1,1,0,0,0|1,0,0]=3 66 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,0,1,0|1,0,1]=4 67 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,0,1,0|1,0,1]=4 68 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,0,1,0|0,0,1]=3 69 B6R1.2 C1CCC(C1)N 1CB [0,1,0,0,1,0|0,0,0]=2 70 B6R1.2 C1CCC(C1)O YEG [0,1,0,0,1,0|0,0,0]=2 71 B6R1.2 C1CNC[C@@H]1N 04S [0,1,0,0,1,0|1,0,0]=3 72 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,0,1,0|1,0,0]=3 73 B8R1.22 C1CCC(=O)NCC1 ICC [0,1,0,0,0,1|0,0,1]=3 74 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,0,0,1|0,0,1]=3 75 B8R1.22 C1CCCC(CC1)N SZ1 [0,1,0,0,0,1|0,0,0]=2 76 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,2,0,0,0,0|0,0,0]=2 77 B8R1.2 C1CCN(CC1)C=O FPI [0,2,0,0,0,0|1,0,0]=3 78 B8R1.2 C1CN(CCN1)C=O 1FP [0,2,0,0,0,0|2,0,0]=4 79 B8R1.2 CCC1CCNCC1 EPI [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 CCN1CCOCC1 6LB [0,2,0,0,0,0|2,0,0]=4 81 B8R1.2 CC[C@H]1CCCCN1 2EP [0,2,0,0,0,0|1,0,0]=3 82 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,2,0,0,0,0|0,0,0]=2 83 B8R1.3 C1CC(CCC1N)O SZ3 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.3 C1CC(CCC1O)O 71J [0,2,0,0,0,0|0,0,0]=2 85 B8R1.3 CC1CCC(CC1)N 2MH [0,2,0,0,0,0|0,0,0]=2 86 B8R1.3 CC1CCC(CC1)N 4JU [0,2,0,0,0,0|0,0,0]=2 87 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,2,0,0,0,0|0,0,2]=4 88 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,2,0,0,0,0|0,0,0]=2 89 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,2,0,0,0,0|0,0,0]=2 90 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,2,0,0,0,0|0,0,0]=2 91 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,2,0,0,0,0|1,0,0]=3 92 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,2,0,0,0,0|1,0,1]=4 93 B8R1.5 C1[C@@H]([C@H](CSS1)O)O DTD [0,2,0,0,0,0|2,0,0]=4 94 B8R1.5 C1[C@H]([C@@H](CSS1)O)O D1D [0,2,0,0,0,0|2,0,0]=4 95 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,2,0,0,0,0|0,0,0]=2 96 B6R1.3 COCC1CC1 09U [0,0,1,1,0,0|1,0,0]=3