0 B9R1.7 BrCCC1CCN(C1)C 1P0293RQ [0,0,0,0,0,0|4,0,0]=4 1 B9R1.7 C(C#N)C1CCC(=O)N1 1P00J3VJ [0,0,0,0,0,0|2,0,1]=3 2 B9R1.7 C(C#N)C1CNC(=O)O1 1P01BC7N [0,0,0,0,0,0|2,0,1]=3 3 B9R1.7 C(C#N)[C@@H]1CCC(=O)N1 1P00FGZB [0,0,0,0,0,0|2,0,1]=3 4 B9R1.7 C(C#N)[C@H]1CCC(=O)N1 1P009W2G [0,0,0,0,0,0|2,0,1]=3 5 B9R1.7 C(CC)C1=CC(OC1)=O 1P01JJQ8 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.7 C=CCC1CCC(=O)C1 1P01C4ZI [0,0,0,0,0,0|1,0,2]=3 7 B9R1.7 C=CCC1CCC(=O)N1 1P02828T [0,0,0,0,0,0|1,0,2]=3 8 B9R1.7 CC1CCC(O1)CCN 1P01C7ZU [0,0,0,0,0,0|2,0,1]=3 9 B9R1.7 CC1CCC(O1)CCO 1P01EMUC [0,0,0,0,0,0|2,0,1]=3 10 B9R1.7 CCCC1=NNC(=O)C1 1P002Y62 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.7 CCCC1CCC(=O)C1 1P00348R [0,0,0,0,0,0|1,0,0]=1 12 B9R1.7 CCCC1CCC(=O)O1 1P00HB0Y [0,0,0,0,0,0|0,0,0]=0 13 B9R1.7 CCCC1CCC(C1)N 1P01DVQV [0,0,0,0,0,0|2,0,1]=3 14 B9R1.7 CCCC1CNC(=O)C1 1P00JDD1 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.7 CCCC1COC(=O)O1 1P008882 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.7 CCCN1CCC(C1)N 1P00J31L [0,0,0,0,0,0|3,0,1]=4 17 B9R1.7 CCC[C@H]1COC(=O)C1 1P00ELOJ [0,0,0,0,0,0|2,0,0]=2 18 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.7 CCCc1nnc(o1)N 1P00FEYV [0,0,0,0,0,0|3,0,1]=4 20 B9R1.7 CCCc1nnc(o1)O 1P00J32U [0,0,0,0,0,0|2,0,2]=4 21 B9R1.7 CCCc1nnc(o1)S 1P01A10N [0,0,0,0,0,0|2,1,1]=4 22 B9R1.7 CCNC1CCN(C1)C 1P00HC0Q [0,0,0,0,0,0|4,0,0]=4 23 B9R1.7 CCOC1=CC(=O)CC1 1P003JU5 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.7 CCOC1CCC(=O)N1 1P00CHT4 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.7 CCOC1OC(=O)CS1 1P01C2WK [0,0,0,0,0,0|2,0,0]=2 26 B9R1.7 CCSC1CCC(C1)N 1P019TBH [0,0,0,0,0,0|3,0,1]=4 27 B9R1.7 CNCC1CCC(=O)N1 1P019QOM [0,0,0,0,0,0|2,0,0]=2 28 B9R1.7 CNCC1CCN(C1)C 1P003XWU [0,0,0,0,0,0|4,0,0]=4 29 B9R1.7 CNCC1COC(=O)O1 1P028JPK [0,0,0,0,0,0|2,0,0]=2 30 B9R1.7 CNC[C@@H]1CCC(=O)N1 1P01C5EO [0,0,0,0,0,0|2,0,0]=2 31 B9R1.7 CNC[C@@H]1CCC(=O)N1 1P01EICC [0,0,0,0,0,0|2,0,0]=2 32 B9R1.7 CNC[C@@H]1COC(=O)N1 1P0282QV [0,0,0,0,0,0|3,0,0]=3 33 B9R1.7 CNC[C@H]1COC(=O)N1 1P028U3M [0,0,0,0,0,0|3,0,0]=3 34 B9R1.7 CNCc1n[nH]c(=O)o1 1P01BAXJ [0,0,0,0,0,0|3,0,1]=4 35 B9R1.7 COCC1CCC(C1)Br 1P028GLY [0,0,0,0,0,0|3,0,1]=4 36 B9R1.7 COC[C@@H]1COC(=O)O1 1P003CMB [0,0,0,0,0,0|2,0,0]=2 37 B9R1.7 COC[C@H]1COC(=O)O1 1P003CUL [0,0,0,0,0,0|2,0,0]=2 38 B9R1.7 COCc1n[nH]c(=O)o1 1P01A006 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.7 ClCCC1COS(=O)O1 1P01FNEJ [0,0,0,0,0,0|3,0,0]=3 40 B9R1.7 N#CCC1CNC(=O)C1 1P0291OZ [0,0,0,0,0,0|3,0,1]=4 41 B9R1.7 NCCC1CCC(=O)N1 1P01BA44 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.7 NCCC1CCC(=O)N1 1P01BA45 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.7 NCCC1CCC(C1)C 1P01FJWC [0,0,0,0,0,0|3,0,1]=4 44 B9R1.7 NCCC1CCC(C1)F 1P01AC7S [0,0,0,0,0,0|3,0,1]=4 45 B9R1.7 NCCC1CCN(C1)C 1P005N1H [0,0,0,0,0,0|4,0,0]=4 46 B9R1.7 NCCC1CCN(C1)C 1P01BW8F [0,0,0,0,0,0|4,0,0]=4 47 B9R1.7 NCCC1CNC(=O)C1 1P01B5FR [0,0,0,0,0,0|3,0,0]=3 48 B9R1.7 NCCC1CNC(=O)O1 1P028AGU [0,0,0,0,0,0|2,0,0]=2 49 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5CZ [0,0,0,0,0,0|2,0,0]=2 50 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5D0 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.7 NCC[C@H]1CCC(=O)N1 1P0289O2 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.7 NCCc1n[nH]c(=O)o1 1P027UPE [0,0,0,0,0,0|3,0,1]=4 53 B9R1.7 OCCC1CCC(=O)N1 1P001M5D [0,0,0,0,0,0|2,0,0]=2 54 B9R1.7 OCCC1CCN(C1)C 1P00CNQU [0,0,0,0,0,0|4,0,0]=4 55 B9R1.7 OCCC1CNC(=O)C1 1P00KBMW [0,0,0,0,0,0|3,0,0]=3 56 B9R1.7 OCC[C@@H]1CCC(=O)N1 1P005J5U [0,0,0,0,0,0|2,0,0]=2 57 B9R1.7 OCC[C@H]1CC[C@H](C1)N 1P024UNJ [0,0,0,0,0,0|3,0,1]=4 58 B8R1.1 BrCC1CCC(=O)C1 1P027TUY [1,0,0,0,0,0|2,0,0]=3 59 B8R1.1 BrCC1CCC(=O)N1 1P002EX6 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.1 BrCC1CCC(=O)O1 1P00C6UK [1,0,0,0,0,0|1,0,0]=2 61 B8R1.1 BrCC1CNC(=O)C1 1P0198QJ [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 BrCC1CNC(=O)O1 1P01B9HT [1,0,0,0,0,0|2,0,0]=3 63 B8R1.1 BrCC1COC(=O)C1 1P028EBM [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 BrC[C@@H]1CCC(=O)N1 1P003D3E [1,0,0,0,0,0|2,0,0]=3 65 B8R1.1 BrC[C@H]1CCC(=O)N1 1P003BFH [1,0,0,0,0,0|2,0,0]=3 66 B8R1.1 C1OC(=O)OC1C#N 1P005A9S [1,0,0,0,0,0|2,0,1]=4 67 B8R1.1 C=CC1CCC(=O)N1 1P005MVU [1,0,0,0,0,0|1,0,2]=4 68 B8R1.1 C=CC1COC(=O)O1 1P0038BL [1,0,0,0,0,0|1,0,2]=4 69 B8R1.1 CC1CCC(O1)CI 1P00B45L [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1CCC(O1)CN 1P01C28P [1,0,0,0,0,0|2,0,1]=4 71 B8R1.1 CC1CCC(O1)CN 1P027WM2 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.1 CC1CCC(O1)CO 1P003AXQ [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 CCC1=CC(=O)CC1 1P00EUXA [1,0,0,0,0,0|1,0,1]=3 74 B8R1.1 CCC1CC(=O)CO1 1P01B68Q [1,0,0,0,0,0|2,0,0]=3 75 B8R1.1 CCC1CCC(=O)C1 1P0008HE [1,0,0,0,0,0|1,0,0]=2 76 B8R1.1 CCC1CCC(=O)N1 1P009RS0 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.1 CCC1CCC(=O)O1 1P003LXK [1,0,0,0,0,0|0,0,0]=1 78 B8R1.1 CCC1CCC(=O)S1 1P0028FT [1,0,0,0,0,0|0,1,0]=2 79 B8R1.1 CCC1CCC(C1)Br 1P0291LF [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 CCC1CCC(N1)C 1P01A4N5 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 CCC1CNC(=O)C1 1P0075T3 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 CCC1CNC(=O)O1 1P00C4QB [1,0,0,0,0,0|1,0,0]=2 83 B8R1.1 CCC1COC(=N)N1 1P0288AM [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 CCC1COC(=O)C1 1P01QNJA [1,0,0,0,0,0|2,0,0]=3 85 B8R1.1 CCC1COC(=O)N1 1P001SNP [1,0,0,0,0,0|2,0,0]=3 86 B8R1.1 CCC1COC(=O)O1 1P003LSA [1,0,0,0,0,0|1,0,0]=2 87 B8R1.1 CCC1CSC(=N1)C 1P003LSD [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 CC[C@@H]1CC[C@@H](N1)C 1P028ZOI [1,0,0,0,0,0|2,0,1]=4 89 B8R1.1 CC[C@H]1CCC(=O)N1 1P0292WG [1,0,0,0,0,0|1,0,0]=2 90 B8R1.1 CC[C@H]1COC(=O)N1 1P001AEG [1,0,0,0,0,0|2,0,0]=3 91 B8R1.1 CNC1CNC(=O)C1 1P018SPE [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 CN[C@H]1CNC(=O)C1 1P01XHI8 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.1 COC1=CC(=O)CC1 1P003K3B [1,0,0,0,0,0|2,0,1]=4 94 B8R1.1 COC1CCC(=O)N1 1P00EFE7 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.1 COC1CNC(=O)C1 1P01B1U7 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 COC1COC(=O)N1 1P001JYR [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 CSC1CCC(=O)C1 1P0290A2 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.1 C[C@@H]1CC[C@@H](O1)CBr 1P028VFW [1,0,0,0,0,0|2,0,1]=4 99 B8R1.1 C[C@H]1CC[C@H](O1)CO 1P00B5PB [1,0,0,0,0,0|2,0,1]=4 100 B8R1.1 ClCC1CCC(=O)O1 1P00C90K [1,0,0,0,0,0|1,0,0]=2 101 B8R1.1 ClCC1CNC(=O)O1 1P0034PU [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 ClCC1COC(=O)O1 1P002PC3 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 ClC[C@@H]1CNC(=O)O1 1P00ANXX [1,0,0,0,0,0|2,0,0]=3 104 B8R1.1 FCC1COC(=O)O1 1P000X84 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.1 ICC1CCC(=O)N1 1P019GN0 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.1 ICC1CCC(=O)O1 1P019GMZ [1,0,0,0,0,0|1,0,0]=2 107 B8R1.1 ICC1CNC(=O)C1 1P01C3B7 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.1 ICC1CNC(=O)O1 1P0290R7 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.1 IC[C@H]1COC(=O)N1 1P001K7J [1,0,0,0,0,0|3,0,0]=4 110 B8R1.1 N#CC1CCC(=O)C1 1P00CNXS [1,0,0,0,0,0|2,0,1]=4 111 B8R1.1 N#C[C@@H]1CCC(=O)C1 1P01DYJH [1,0,0,0,0,0|2,0,1]=4 112 B8R1.1 N#C[C@H]1CCC(=O)C1 1P02095K [1,0,0,0,0,0|2,0,1]=4 113 B8R1.1 NC1=NCC(O1)CBr 1P02907G [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 NCC1CCC(=C)C1 1P027WJO [1,0,0,0,0,0|3,0,0]=4 115 B8R1.1 NCC1CCC(=C)C1 1P027YJ1 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.1 NCC1CCC(=O)C1 1P0285ZW [1,0,0,0,0,0|2,0,0]=3 117 B8R1.1 NCC1CCC(=O)N1 1P000H1S [1,0,0,0,0,0|2,0,0]=3 118 B8R1.1 NCC1CCC(=O)N1 1P003MND [1,0,0,0,0,0|2,0,0]=3 119 B8R1.1 NCC1CCC(=O)N1 1P00J3WS [1,0,0,0,0,0|2,0,0]=3 120 B8R1.1 NCC1CCC(=O)O1 1P01B61N [1,0,0,0,0,0|1,0,0]=2 121 B8R1.1 NCC1CNC(=O)C1 1P001CGK [1,0,0,0,0,0|3,0,0]=4 122 B8R1.1 NCC1CNC(=O)C1 1P0064LK [1,0,0,0,0,0|3,0,0]=4 123 B8R1.1 NCC1CNC(=O)C1 1P01DTQ3 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.1 NCC1CNC(=O)O1 1P001UZ2 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.1 NCC1COC(=O)C1 1P028UN9 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.1 NCC1COC(=O)N1 1P0022DT [1,0,0,0,0,0|3,0,0]=4 127 B8R1.1 NCC1COC(=O)O1 1P027YU5 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.1 NC[C@@H]1CCC(=O)N1 1P001DHC [1,0,0,0,0,0|2,0,0]=3 129 B8R1.1 NC[C@@H]1CCC(N1)=O 1P01FWPM [1,0,0,0,0,0|2,0,0]=3 130 B8R1.1 NC[C@@H]1CNC(=O)C1 1P00HXCG [1,0,0,0,0,0|3,0,0]=4 131 B8R1.1 NC[C@@H]1CNC(=O)O1 1P0026S8 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.1 NC[C@@H]1COC(=O)O1 1P028894 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.1 NC[C@H]1CCC(=O)N1 1P001Z9Q [1,0,0,0,0,0|2,0,0]=3 134 B8R1.1 NC[C@H]1CCC(=O)N1 1P01C9T8 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.1 NC[C@H]1CNC(=O)O1 1P002DFQ [1,0,0,0,0,0|2,0,0]=3 136 B8R1.1 NC[C@H]1COC(=O)O1 1P028HKA [1,0,0,0,0,0|2,0,0]=3 137 B8R1.1 OCC1CC(=O)CO1 1P02010B [1,0,0,0,0,0|3,0,0]=4 138 B8R1.1 OCC1CCC(=O)C1 1P01JUNL [1,0,0,0,0,0|2,0,0]=3 139 B8R1.1 OCC1CCC(=O)N1 1P003ADX [1,0,0,0,0,0|2,0,0]=3 140 B8R1.1 OCC1CCC(=O)O1 1P0036A1 [1,0,0,0,0,0|1,0,0]=2 141 B8R1.1 OCC1CNC(=O)C1 1P0034A5 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.1 OCC1CNC(=O)O1 1P003MO9 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.1 OCC1COC(=O)C1 1P00I7Q5 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.1 OCC1COC(=O)N1 1P001OET [1,0,0,0,0,0|3,0,0]=4 145 B8R1.1 OCC1COC(=O)O1 1P0035FK [1,0,0,0,0,0|2,0,0]=3 146 B8R1.1 OCC1COS(=O)O1 1P001AF3 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.1 OCC1OC(=O)C=C1 1P007GAQ [1,0,0,0,0,0|1,0,2]=4 148 B8R1.1 OC[C@@H]1CCC(=N)N1 1P02859P [1,0,0,0,0,0|3,0,0]=4 149 B8R1.1 OC[C@@H]1CCC(=O)N1 1P001ZD1 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.1 OC[C@@H]1CCC(=O)O1 1P0039AG [1,0,0,0,0,0|1,0,0]=2 151 B8R1.1 OC[C@@H]1CNC(=O)C1 1P01BO9A [1,0,0,0,0,0|3,0,0]=4 152 B8R1.1 OC[C@@H]1CNC(=O)N1 1P028PHE [1,0,0,0,0,0|3,0,0]=4 153 B8R1.1 OC[C@@H]1CNC(=O)O1 1P00IKGE [1,0,0,0,0,0|2,0,0]=3 154 B8R1.1 OC[C@@H]1COC(=O)N1 1P0011GI [1,0,0,0,0,0|3,0,0]=4 155 B8R1.1 OC[C@H]1CCC(=N)N1 1P0293EB [1,0,0,0,0,0|3,0,0]=4 156 B8R1.1 OC[C@H]1CCC(=O)N1 1P003N9H [1,0,0,0,0,0|2,0,0]=3 157 B8R1.1 OC[C@H]1CCC(=O)O1 1P003CR4 [1,0,0,0,0,0|1,0,0]=2 158 B8R1.1 OC[C@H]1CNC(=O)C1 1P0099ZX [1,0,0,0,0,0|3,0,0]=4 159 B8R1.1 OC[C@H]1CNC(=O)O1 1P00IKGD [1,0,0,0,0,0|2,0,0]=3 160 B8R1.1 OC[C@H]1COC(=O)N1 1P001K7K [1,0,0,0,0,0|3,0,0]=4 161 B8R1.8 BrCCC1CCC=C1 1P0285S5 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.8 BrCCC1CCCC1 1P002INC [1,0,0,0,0,0|2,0,1]=4 163 B8R1.8 BrCCC1CCCN1 1P01C2MU [1,0,0,0,0,0|2,0,1]=4 164 B8R1.8 BrCCC1CCCO1 1P01B1LN [1,0,0,0,0,0|1,0,1]=3 165 B8R1.8 BrCCC1COCC1 1P009ECL [1,0,0,0,0,0|3,0,0]=4 166 B8R1.8 BrCCC1OCCO1 1P0033B5 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.8 C(C1CCC=C1)C=O 1P01HHJ9 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.8 C=CCC1CCCO1 1P028QA6 [1,0,0,0,0,0|0,0,3]=4 169 B8R1.8 CCCC1=NCCO1 1P003KYP [1,0,0,0,0,0|1,0,2]=4 170 B8R1.8 CCCC1CCCN1 1P008W0R [1,0,0,0,0,0|1,0,1]=3 171 B8R1.8 CCCC1CNCC1 1P000DDQ [1,0,0,0,0,0|2,0,0]=3 172 B8R1.8 CCCC1NCCS1 1P01AJ74 [1,0,0,0,0,0|1,1,1]=4 173 B8R1.8 CCCN1CCCC1 1P028HDD [1,0,0,0,0,0|2,0,1]=4 174 B8R1.8 CCNC1CCCC1 1P009AIH [1,0,0,0,0,0|2,0,1]=4 175 B8R1.8 CCNC1CCCC1 1P00DDL3 [1,0,0,0,0,0|2,0,1]=4 176 B8R1.8 CCNC1CNCC1 1P003IOT [1,0,0,0,0,0|3,0,0]=4 177 B8R1.8 CCNC1COCC1 1P000ZGK [1,0,0,0,0,0|3,0,0]=4 178 B8R1.8 CCNC1COCC1 1P00HSEO [1,0,0,0,0,0|3,0,0]=4 179 B8R1.8 CCN[C@@H]1CNCC1 1P003C9Z [1,0,0,0,0,0|3,0,0]=4 180 B8R1.8 CCN[C@H]1CNCC1 1P003C9Q [1,0,0,0,0,0|3,0,0]=4 181 B8R1.8 CCOC1CNCC1 1P009OAP [1,0,0,0,0,0|3,0,0]=4 182 B8R1.8 CCO[C@@H]1CNCC1 1P001J3L [1,0,0,0,0,0|3,0,0]=4 183 B8R1.8 CCO[C@H]1CNCC1 1P003CQB [1,0,0,0,0,0|3,0,0]=4 184 B8R1.8 CCO[C@H]1CNCC1 1P00AO4W [1,0,0,0,0,0|3,0,0]=4 185 B8R1.8 CNCC1CCCC1 1P0038B4 [1,0,0,0,0,0|2,0,1]=4 186 B8R1.8 CNCC1CCCC1 1P00FHVW [1,0,0,0,0,0|2,0,1]=4 187 B8R1.8 CNCC1CCCO1 1P00BF9Z [1,0,0,0,0,0|1,0,1]=3 188 B8R1.8 CNCC1CCCS1 1P028XBK [1,0,0,0,0,0|1,1,1]=4 189 B8R1.8 CNCC1CNCC1 1P006E10 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.8 CNCC1CNCC1 1P01WAOO [1,0,0,0,0,0|3,0,0]=4 191 B8R1.8 CNCC1COCC1 1P002DG7 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.8 CNCC1COCC1 1P005FXK [1,0,0,0,0,0|3,0,0]=4 193 B8R1.8 CNCC1CSCC1 1P0289ZF [1,0,0,0,0,0|3,0,0]=4 194 B8R1.8 CNCC1OCCC1 1P01KZ6C [1,0,0,0,0,0|1,0,1]=3 195 B8R1.8 CNC[C@@H]1CCCN1 1P00HC7R [1,0,0,0,0,0|2,0,1]=4 196 B8R1.8 CNC[C@@H]1CCCN1 1P01KLT3 [1,0,0,0,0,0|2,0,1]=4 197 B8R1.8 CNC[C@@H]1CCCO1 1P01ACR6 [1,0,0,0,0,0|1,0,1]=3 198 B8R1.8 CNC[C@H]1CCCN1 1P00ICBY [1,0,0,0,0,0|2,0,1]=4 199 B8R1.8 COCC1CC=CC1 1P01B5WQ [1,0,0,0,0,0|2,0,1]=4 200 B8R1.8 COCC1CCCN1 1P005S8H [1,0,0,0,0,0|2,0,1]=4 201 B8R1.8 COCC1CCCN1 1P00ABF5 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.8 COCC1CNCC1 1P00379K [1,0,0,0,0,0|3,0,0]=4 203 B8R1.8 COCC1CNCC1 1P009A42 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.8 COCC1NCC=C1 1P028Z59 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.8 COC[C@@H]1CCCN1 1P003CWQ [1,0,0,0,0,0|2,0,1]=4 206 B8R1.8 COC[C@@H]1CCCN1 1P00IJG4 [1,0,0,0,0,0|2,0,1]=4 207 B8R1.8 COC[C@@H]1CNCC1 1P00HWSL [1,0,0,0,0,0|3,0,0]=4 208 B8R1.8 COC[C@H]1CCCN1 1P003CJ7 [1,0,0,0,0,0|2,0,1]=4 209 B8R1.8 COC[C@H]1CCCN1 1P009KFB [1,0,0,0,0,0|2,0,1]=4 210 B8R1.8 COC[C@H]1CNCC1 1P00ILDC [1,0,0,0,0,0|3,0,0]=4 211 B8R1.8 CSCC1CCCN1 1P01A1NJ [1,0,0,0,0,0|2,0,1]=4 212 B8R1.8 CSCC1CNCC1 1P0198RF [1,0,0,0,0,0|3,0,0]=4 213 B8R1.8 CSC[C@@H]1CCCN1 1P0285GO [1,0,0,0,0,0|2,0,1]=4 214 B8R1.8 CSC[C@H]1CCCN1 1P0285HN [1,0,0,0,0,0|2,0,1]=4 215 B8R1.8 ClCCC1CCCC1 1P004S0A [1,0,0,0,0,0|2,0,1]=4 216 B8R1.8 ClCCC1CCCO1 1P01ALGS [1,0,0,0,0,0|1,0,1]=3 217 B8R1.8 ClCCC1COCC1 1P01DVS4 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.8 FCCC1CNCC1 1P028FR2 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.8 FCCC1CNCC1 1P028ILN [1,0,0,0,0,0|3,0,0]=4 220 B8R1.8 ICCC1CCCC1 1P01RJJX [1,0,0,0,0,0|2,0,1]=4 221 B8R1.8 ICCC1OCCO1 1P01JMOE [1,0,0,0,0,0|2,0,1]=4 222 B8R1.8 N#CCC1CCCO1 1P003FLJ [1,0,0,0,0,0|1,0,2]=4 223 B8R1.8 NCCC1CC=CC1 1P01EMFG [1,0,0,0,0,0|2,0,1]=4 224 B8R1.8 NCCC1CCC=C1 1P01DGR5 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.8 NCCC1CCCC1 1P00ECJ1 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.8 NCCC1CCCC1 1P00FFSC [1,0,0,0,0,0|2,0,1]=4 227 B8R1.8 NCCC1CCCN1 1P01B8X0 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.8 NCCC1CCCO1 1P00IKIT [1,0,0,0,0,0|1,0,1]=3 229 B8R1.8 NCCC1CCCO1 1P01A9VX [1,0,0,0,0,0|1,0,1]=3 230 B8R1.8 NCCC1CCCS1 1P01BS3A [1,0,0,0,0,0|1,1,1]=4 231 B8R1.8 NCCC1COCC1 1P00G54P [1,0,0,0,0,0|3,0,0]=4 232 B8R1.8 NCCC1COCC1 1P00ICAQ [1,0,0,0,0,0|3,0,0]=4 233 B8R1.8 NCCC1OCCO1 1P003F7G [1,0,0,0,0,0|2,0,1]=4 234 B8R1.8 NCCN1CCCO1 1P028SFN [1,0,0,0,0,0|2,0,1]=4 235 B8R1.8 NCC[C@H]1CCCO1 1P01E940 [1,0,0,0,0,0|1,0,1]=3 236 B8R1.8 NNCC1CCCO1 1P0170AD [1,0,0,0,0,0|2,0,1]=4 237 B8R1.8 NOCC1CCCO1 1P027U2C [1,0,0,0,0,0|2,0,1]=4 238 B8R1.8 O=CCC1CCCO1 1P00C3IA [1,0,0,0,0,0|1,0,2]=4 239 B8R1.8 OCCC1CCC=C1 1P005JRE [1,0,0,0,0,0|2,0,0]=3 240 B8R1.8 OCCC1CCCC1 1P003BOA [1,0,0,0,0,0|2,0,1]=4 241 B8R1.8 OCCC1CCCN1 1P00172G [1,0,0,0,0,0|2,0,1]=4 242 B8R1.8 OCCC1CCCN1 1P00ABNB [1,0,0,0,0,0|2,0,1]=4 243 B8R1.8 OCCC1CCCO1 1P00CKW0 [1,0,0,0,0,0|1,0,1]=3 244 B8R1.8 OCCC1CCCS1 1P02869V [1,0,0,0,0,0|1,1,1]=4 245 B8R1.8 OCCC1CNCC1 1P006IRK [1,0,0,0,0,0|3,0,0]=4 246 B8R1.8 OCCC1CNCC1 1P00FCZN [1,0,0,0,0,0|3,0,0]=4 247 B8R1.8 OCCC1COCC1 1P009EEF [1,0,0,0,0,0|3,0,0]=4 248 B8R1.8 OCCC1OCCO1 1P01E6KU [1,0,0,0,0,0|2,0,1]=4 249 B8R1.8 OCCN1CCC=N1 1P003FB8 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.8 OCC[C@@H]1CNCC1 1P01B5C4 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.8 OCC[C@H]1CCCN1 1P01JCWU [1,0,0,0,0,0|2,0,1]=4 252 B8R1.8 OCC[C@H]1CNCC1 1P00HWSF [1,0,0,0,0,0|3,0,0]=4 253 B8R1.8 SCCC1CCCC1 1P0289B7 [1,0,0,0,0,0|2,0,1]=4 254 B8R1.8 SCCC1CCCO1 1P028WJL [1,0,0,0,0,0|1,0,1]=3 255 B8R1.8 SCCC1COCC1 1P024UL3 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.8 [C-]#[N+]CC1CCCO1 1P00DGDT [1,0,0,0,0,0|1,0,2]=4 257 B10R1.14 CCC(C1CCC(=O)C1)C 1P01BE6G [0,1,0,0,0,0|1,0,0]=2 258 B10R1.14 COC(=O)C1CCC(=O)C1 1P00C7M8 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.14 COC(=O)C1CCC(=O)N1 1P00DEJN [0,1,0,0,0,0|2,0,1]=4 260 B10R1.14 COC(=O)C1CCC(=O)O1 1P00CJG6 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.14 COC(=O)C1CNC(=O)O1 1P00B5AK [0,1,0,0,0,0|2,0,1]=4 262 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1P0010LX [0,1,0,0,0,0|2,0,1]=4 263 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 1P003SHJ [0,1,0,0,0,0|2,0,1]=4 264 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 1P007QV3 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 1P0010LW [0,1,0,0,0,0|2,0,1]=4 266 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 1P003RZO [0,1,0,0,0,0|2,0,1]=4 267 B10R1.16 C=CCCC1CCC(=O)C1 1P01DWPK [0,1,0,0,0,0|1,0,1]=3 268 B10R1.16 CCCCC1CCC(=O)O1 1P003R78 [0,1,0,0,0,0|0,0,0]=1 269 B10R1.16 CCCCC1CCC(C1)N 1P01EIKE [0,1,0,0,0,0|2,0,1]=4 270 B10R1.16 CCCCC1CNC(=O)C1 1P027RAQ [0,1,0,0,0,0|2,0,0]=3 271 B10R1.16 CCCCC1OCC(O1)C 1P0036Z4 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.16 CCCNC1CCN(C1)C 1P01C4XG [0,1,0,0,0,0|3,0,0]=4 273 B10R1.16 CCNCC1CCN(C1)C 1P00H6PY [0,1,0,0,0,0|3,0,0]=4 274 B10R1.16 COCCN1CCC(=O)C1 1P00950K [0,1,0,0,0,0|2,0,0]=3 275 B10R1.16 CSCCC1CCC(=O)O1 1P028F5L [0,1,0,0,0,0|0,0,0]=1 276 B10R1.16 O=CC=CC1CCC(=O)O1 1P028M5O [0,1,0,0,0,0|0,0,3]=4 277 B10R1.16 [N-]=[N+]=NCC1CCC(=O)O1 1P0027IY [0,1,0,0,0,0|2,0,0]=3 278 B10R1.54 CC(=O)CC1CCC(=O)N1 1P01BCKO [0,1,0,0,0,0|1,0,1]=3 279 B10R1.54 CC(CC1CCC(=O)C1)C 1P00I9XI [0,1,0,0,0,0|1,0,0]=2 280 B10R1.54 CC(CC1CCC(C1)Br)C 1P01CAQZ [0,1,0,0,0,0|2,0,1]=4 281 B10R1.54 CC(CC1CCC(C1)N)C 1P01EIKG [0,1,0,0,0,0|2,0,1]=4 282 B10R1.54 CC(CC1CCC(C1)O)C 1P027UBL [0,1,0,0,0,0|1,0,2]=4 283 B10R1.54 CC(CC1CNC(=O)C1)C 1P00EEF3 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.54 CC(CC1OCC(O1)C)C 1P0075WX [0,1,0,0,0,0|2,0,1]=4 285 B10R1.54 CC(C[C@@H]1CNC(=O)C1)C 1P01CCQN [0,1,0,0,0,0|2,0,0]=3 286 B10R1.54 CC(C[C@H]1COC(=O)N1)C 1P00ACQR [0,1,0,0,0,0|2,0,0]=3 287 B10R1.54 CN(CC1CNC(=O)C1)C 1P01C4O4 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.54 CN(CC1CNC(=O)C1)C 1P028QGJ [0,1,0,0,0,0|3,0,0]=4 289 B10R1.54 OC(=O)CC1CCC(=O)C1 1P007I8T [0,1,0,0,0,0|2,0,1]=4 290 B10R1.54 OC(=O)CC1CCC(=O)N1 1P00EIT0 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.54 OC(=O)CC1CCC(=O)O1 1P00EZ8E [0,1,0,0,0,0|1,0,1]=3 292 B10R1.54 OC(=O)CC1CNC(=O)O1 1P028FQ4 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 1P00IBEA [0,1,0,0,0,0|2,0,1]=4 294 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 1P000FXY [0,1,0,0,0,0|2,0,1]=4 295 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 1P00J3DO [0,1,0,0,0,0|2,0,1]=4 296 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 1P028G3N [0,1,0,0,0,0|2,0,1]=4 297 B10R1.54 [O-][N+](=O)CC1CCC(=O)C1 1P004Z64 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.94 CN1C(CCO)CCC1=O 1P01IE8R [0,1,0,0,0,0|2,0,0]=3 299 B10R1.95 BrCCC1CCS(=O)(=O)C1 1P00J30P [0,1,0,0,0,0|3,0,0]=4 300 B10R1.95 CCCC1CCS(=O)(=O)O1 1P028PWL [0,1,0,0,0,0|1,0,0]=2 301 B10R1.95 CCNC1CCS(=O)(=O)C1 1P00HB32 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.95 CNCC1CCS(=O)(=O)C1 1P01AKGU [0,1,0,0,0,0|3,0,0]=4 303 B10R1.95 ClCCC1COS(=O)(=O)O1 1P009CMQ [0,1,0,0,0,0|3,0,0]=4 304 B10R1.95 NCCC1CCC(O1)(C)C 1P028WRJ [0,1,0,0,0,0|2,0,1]=4 305 B10R1.95 NCCC1CCS(=O)(=O)C1 1P00J2VV [0,1,0,0,0,0|3,0,0]=4 306 B10R1.95 OCCC1CCC(O1)(C)C 1P027UQG [0,1,0,0,0,0|2,0,1]=4 307 B10R1.96 CCCc1ccc(o1)C=O 1P001KVP [0,1,0,0,0,0|0,0,3]=4 308 B10R1.130 CC1NC(=O)CC1CCC 1P0289H5 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.130 CCCC1NC(=O)NC1=O 1P00240Y [0,1,0,0,0,0|2,0,1]=4 310 B10R1.130 CCOC1OC(=O)C=C1Br 1P007II1 [0,1,0,0,0,0|1,0,2]=4 311 B10R1.131 CCOC1OC(=O)C(S1)C 1P01C2WJ [0,1,0,0,0,0|2,0,0]=3 312 B10R1.131 CNCC1CC(=O)N(C1)C 1P00J1IC [0,1,0,0,0,0|3,0,0]=4 313 B10R1.131 NCCC1CC(=O)N(C1)C 1P01BJTW [0,1,0,0,0,0|3,0,0]=4 314 B10R1.390 CC1(COC)CNC(=O)O1 1P028K36 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.390 CCCC1(C)CNC(=O)C1 1P0293AO [0,1,0,0,0,0|2,0,0]=3 316 B10R1.390 COCC1(C)CNC(=O)C1 1P019TZN [0,1,0,0,0,0|3,0,0]=4 317 B8R0.1 CCCC(=O)CCC=C 1P01A9QO [0,0,1,0,0,0|1,0,2]=4 318 B8R0.1 CCCC(CCC=C)O 1P003BA2 [0,0,1,0,0,0|1,0,0]=2 319 B8R0.1 CCCC(CCCBr)C 1P004CP0 [0,0,1,0,0,0|2,0,1]=4 320 B8R0.1 CCCC(CCCO)C 1P008LVT [0,0,1,0,0,0|1,0,2]=4 321 B8R0.1 CCCC(CCCS)O 1P01BRI8 [0,0,1,0,0,0|0,1,1]=3 322 B8R0.1 CCCCC(CCC)Br 1P003VZU [0,0,1,0,0,0|2,0,1]=4 323 B8R0.1 CCCCC(CCC)N 1P019UGO [0,0,1,0,0,0|2,0,1]=4 324 B8R0.1 CCCCC(CCC)O 1P003MEF [0,0,1,0,0,0|1,0,1]=3 325 B8R0.1 CCOC(=O)CCC=O 1P0004T1 [0,0,1,0,0,0|1,0,2]=4 326 B8R0.1 CNCC(CCC=C)O 1P0293AJ [0,0,1,0,0,0|2,0,0]=3 327 B8R0.1 NCCC(CCC#C)O 1P01B9W5 [0,0,1,0,0,0|2,0,1]=4 328 B8R0.5 CC(=CC(=O)O)CCC 1P0037TF [0,0,1,0,0,0|2,0,1]=4 329 B8R0.5 CC(NC(=O)N)COC 1P00G4L6 [0,0,1,0,0,0|3,0,0]=4 330 B8R0.5 CC(NCC)CC(=O)O 1P01AA3H [0,0,1,0,0,0|3,0,0]=4 331 B8R0.5 CC(NCC)CC(=O)O 1P01AA3Q [0,0,1,0,0,0|3,0,0]=4 332 B8R0.5 CC(OC(=O)Cl)COC 1P00GGD6 [0,0,1,0,0,0|2,0,0]=3 333 B8R0.5 CC(SCC)CC(=O)O 1P01E65K [0,0,1,0,0,0|3,0,0]=4 334 B8R0.5 CCCC(=O)CC(=O)C 1P008R1G [0,0,1,0,0,0|2,0,1]=4 335 B8R0.5 CCCC(CC(=O)C)C 1P00ECOX [0,0,1,0,0,0|1,0,0]=2 336 B8R0.5 CCCC(CC(=O)O)C 1P00C0ML [0,0,1,0,0,0|2,0,0]=3 337 B8R0.5 CCCC(CC(=O)O)N 1P00EBTZ [0,0,1,0,0,0|3,0,0]=4 338 B8R0.5 CCCC(CC(=O)O)O 1P0006E4 [0,0,1,0,0,0|3,0,0]=4 339 B8R0.5 CCCC(CC(C)C)C 1P003GB5 [0,0,1,0,0,0|2,0,1]=4 340 B8R0.5 CCCC(CC(O)C)C 1P00ECQ1 [0,0,1,0,0,0|1,0,2]=4 341 B8R0.5 CCCC(OC(=O)C)C 1P000DP3 [0,0,1,0,0,0|0,0,0]=1 342 B8R0.5 CCCN(CC(=O)O)C 1P01ABNR [0,0,1,0,0,0|3,0,0]=4 343 B8R0.5 CCC[C@@H](CC(=O)O)N 1P006D2E [0,0,1,0,0,0|3,0,0]=4 344 B8R0.5 CCC[C@@H](CC(=O)O)N 1P00EM67 [0,0,1,0,0,0|3,0,0]=4 345 B8R0.5 CCC[C@@H](CC(=O)O)O 1P006NFR [0,0,1,0,0,0|3,0,0]=4 346 B8R0.5 CCOC(SC(=O)C)C 1P005PKF [0,0,1,0,0,0|1,1,0]=3 347 B8R0.5 COCC(CC(=O)O)C 1P019ZSS [0,0,1,0,0,0|3,0,0]=4 348 B8R0.5 COCC(OC(=O)C)C 1P0038SH [0,0,1,0,0,0|1,0,0]=2 349 B8R0.5 C\C(=C/C(=O)O)\CCC 1P003K5U [0,0,1,0,0,0|2,0,1]=4 350 B8R0.5 NCCC(CC(=O)O)C 1P01A1JJ [0,0,1,0,0,0|3,0,0]=4 351 B8R0.5 NCC[C@H](CC(=O)O)C 1P0283UC [0,0,1,0,0,0|3,0,0]=4 352 B8R0.5 OCCC(CC(=O)[O-])C 1P028TXY [0,0,1,0,0,0|3,0,0]=4 353 B8R0.5 OCCN(CC(=O)C)C 1P00C2MY [0,0,1,0,0,0|3,0,0]=4 354 B8R0.6 BrCCCCC(=O)OC 1P0035OM [0,0,1,0,0,0|3,0,0]=4 355 B8R0.6 CCCC#CC(=O)OC 1P002E2C [0,0,1,0,0,0|2,0,1]=4 356 B8R0.6 CCCCCC(=O)C=C 1P0032P4 [0,0,1,0,0,0|1,0,2]=4 357 B8R0.6 CCCCCC(=O)CBr 1P001UJM [0,0,1,0,0,0|2,0,0]=3 358 B8R0.6 CCCCCC(=O)CC 1P003KB3 [0,0,1,0,0,0|1,0,0]=2 359 B8R0.6 CCCCCC(=O)NN 1P007NQB [0,0,1,0,0,0|3,0,0]=4 360 B8R0.6 CCCCCC(=O)NO 1P00702Y [0,0,1,0,0,0|3,0,0]=4 361 B8R0.6 CCCCCC(=O)OC 1P003SH4 [0,0,1,0,0,0|2,0,0]=3 362 B8R0.6 CCCCCC(CC)C 1P003482 [0,0,1,0,0,0|2,0,1]=4 363 B8R0.6 CCCCCC(CC)O 1P003TXD [0,0,1,0,0,0|1,0,2]=4 364 B8R0.6 CCCCC[C@H](CC)O 1P003CY0 [0,0,1,0,0,0|1,0,2]=4 365 B8R0.6 CCCCNC(=O)C=C 1P00BGZZ [0,0,1,0,0,0|1,0,2]=4 366 B8R0.6 CCCCNC(=O)CC 1P002Z7K [0,0,1,0,0,0|1,0,0]=2 367 B8R0.6 CCCCNC(=O)CCl 1P00D9U4 [0,0,1,0,0,0|2,0,0]=3 368 B8R0.6 CCCCNC(=O)NN 1P002AZ5 [0,0,1,0,0,0|3,0,0]=4 369 B8R0.6 CCCCNC(CC)C 1P00DADH [0,0,1,0,0,0|2,0,1]=4 370 B8R0.6 CCCCOC(=O)C=C 1P001G67 [0,0,1,0,0,0|0,0,2]=3 371 B8R0.6 CCCCOC(=O)CCl 1P003P26 [0,0,1,0,0,0|1,0,0]=2 372 B8R0.6 CCCCOC(=O)CN 1P009B7X [0,0,1,0,0,0|1,0,0]=2 373 B8R0.6 CCCCOC(=O)CO 1P003P2L [0,0,1,0,0,0|1,0,0]=2 374 B8R0.6 CCCCOC(=O)CS 1P0002J7 [0,0,1,0,0,0|1,0,0]=2 375 B8R0.6 CCCCOC(=O)OC 1P00E0M4 [0,0,1,0,0,0|1,0,0]=2 376 B8R0.6 CCCNCC(=O)NC 1P019WTH [0,0,1,0,0,0|3,0,0]=4 377 B8R0.6 CCCNCC(=O)OC 1P01BD8H [0,0,1,0,0,0|3,0,0]=4 378 B8R0.6 CCC\C=C\C(=O)OC 1P001ACY [0,0,1,0,0,0|2,0,1]=4 379 B8R0.6 CCNCCC(=O)NC 1P01BFYN [0,0,1,0,0,0|3,0,0]=4 380 B8R0.6 CCNCCC(=O)OC 1P003S6I [0,0,1,0,0,0|3,0,0]=4 381 B8R0.6 CCSCCC(=O)CCl 1P00DRH8 [0,0,1,0,0,0|3,0,0]=4 382 B8R0.6 CNC(=O)NCCCN 1P028MWO [0,0,1,0,0,0|3,0,0]=4 383 B8R0.6 CNC(=O)NCCCO 1P01CALW [0,0,1,0,0,0|3,0,0]=4 384 B8R0.6 CNC(=O)OCCCN 1P028MRP [0,0,1,0,0,0|2,0,0]=3 385 B8R0.6 CNCCCC(=O)NC 1P01A2TR [0,0,1,0,0,0|3,0,0]=4 386 B8R0.6 CNCCCC(=O)OC 1P00GVAH [0,0,1,0,0,0|3,0,0]=4 387 B8R0.6 COC(=O)NCCCN 1P0287FB [0,0,1,0,0,0|3,0,0]=4 388 B8R0.6 COC(=O)NCCCO 1P028FD6 [0,0,1,0,0,0|3,0,0]=4 389 B8R0.6 COCCCC(=O)CCl 1P028VFR [0,0,1,0,0,0|3,0,0]=4 390 B8R0.6 COCCCC(=O)OC 1P002VN6 [0,0,1,0,0,0|3,0,0]=4 391 B8R0.6 COCCNC(=O)CBr 1P01K68O [0,0,1,0,0,0|3,0,0]=4 392 B8R0.6 COCCNC(=O)CCl 1P0008G8 [0,0,1,0,0,0|3,0,0]=4 393 B8R0.6 COCCNC(=O)CN 1P009B1M [0,0,1,0,0,0|3,0,0]=4 394 B8R0.6 COCCOC(=O)C=C 1P00I6BA [0,0,1,0,0,0|1,0,2]=4 395 B8R0.6 COCCOC(=O)CS 1P002BLH [0,0,1,0,0,0|2,0,0]=3 396 B8R0.6 CSCCCC(=O)OC 1P003SAN [0,0,1,0,0,0|3,0,0]=4 397 B8R0.6 CSCCNC(=O)OC 1P028WWP [0,0,1,0,0,0|3,0,0]=4 398 B8R0.6 ClCCCCC(=O)OC 1P0035OP [0,0,1,0,0,0|3,0,0]=4 399 B8R0.6 ClCCCNC(=O)CN 1P01FKXH [0,0,1,0,0,0|3,0,0]=4 400 B8R0.6 NCC(=O)OCC=CC 1P028E4Y [0,0,1,0,0,0|1,0,2]=4 401 B8R0.6 NCCCCC(=O)NC 1P028T97 [0,0,1,0,0,0|3,0,0]=4 402 B8R0.6 NCCCCC(=O)OC 1P003AAV [0,0,1,0,0,0|3,0,0]=4 403 B8R0.6 NCCCOC(=O)C=C 1P01BRGG [0,0,1,0,0,0|1,0,2]=4 404 B8R0.6 OCCCCC(=O)OC 1P006XZT [0,0,1,0,0,0|3,0,0]=4 405 B8R0.6 SCCCCC(=O)NC 1P027XJ9 [0,0,1,0,0,0|3,0,0]=4 406 B8R0.6 SCCCCC(=O)OC 1P005E7S [0,0,1,0,0,0|3,0,0]=4 407 B8R0.7 BrCCCCCB(O)O 1P003CEG [0,0,1,0,0,0|2,0,1]=4 408 B8R0.7 BrCCCCCC(=O)C 1P01AV5V [0,0,1,0,0,0|2,0,0]=3 409 B8R0.7 BrCCCCCC(=O)Cl 1P0039BS [0,0,1,0,0,0|2,0,0]=3 410 B8R0.7 BrCCCCCC(=O)N 1P00EADM [0,0,1,0,0,0|2,0,0]=3 411 B8R0.7 BrCCCCCC(=O)O 1P003NLF [0,0,1,0,0,0|1,0,0]=2 412 B8R0.7 BrCCCCOC(=O)C 1P0034F1 [0,0,1,0,0,0|3,0,0]=4 413 B8R0.7 BrCCOCCC(=O)C 1P01FIMW [0,0,1,0,0,0|3,0,0]=4 414 B8R0.7 BrCCOCCC(=O)O 1P00HVZX [0,0,1,0,0,0|2,0,0]=3 415 B8R0.7 C#CCCCCC(=O)O 1P00328D [0,0,1,0,0,0|0,0,2]=3 416 B8R0.7 C#CCCNCC(=O)O 1P0284YX [0,0,1,0,0,0|1,0,2]=4 417 B8R0.7 C#CCOCCC(=O)O 1P00E6C4 [0,0,1,0,0,0|1,0,2]=4 418 B8R0.7 C=CCCCCC(=O)C 1P00D0BP [0,0,1,0,0,0|1,0,2]=4 419 B8R0.7 C=CCCCCC(=O)O 1P0038GR [0,0,1,0,0,0|0,0,2]=3 420 B8R0.7 C=CCCOCC(=O)O 1P019Y59 [0,0,1,0,0,0|1,0,2]=4 421 B8R0.7 C=CCNCCC(=O)O 1P027Z6N [0,0,1,0,0,0|1,0,2]=4 422 B8R0.7 C=CCOCCC(=O)O 1P003417 [0,0,1,0,0,0|1,0,2]=4 423 B8R0.7 CC#CCCCC(=O)C 1P01HMO4 [0,0,1,0,0,0|1,0,2]=4 424 B8R0.7 CC#CCCCC(=O)O 1P01A676 [0,0,1,0,0,0|0,0,2]=3 425 B8R0.7 CC#CCNCC(=O)O 1P02848M [0,0,1,0,0,0|1,0,2]=4 426 B8R0.7 CCCCC#CC(=O)O 1P001G2G [0,0,1,0,0,0|0,0,2]=3 427 B8R0.7 CCCCC=CC(=O)C 1P001XGQ [0,0,1,0,0,0|1,0,2]=4 428 B8R0.7 CCCCC=CC(=O)O 1P002ENX [0,0,1,0,0,0|0,0,2]=3 429 B8R0.7 CCCCCCB(O)O 1P001UKM [0,0,1,0,0,0|1,0,1]=3 430 B8R0.7 CCCCCCC(=N)N 1P028G7P [0,0,1,0,0,0|2,0,0]=3 431 B8R0.7 CCCCCCC(=O)C 1P003IAB [0,0,1,0,0,0|1,0,0]=2 432 B8R0.7 CCCCCCC(=O)Cl 1P003QE1 [0,0,1,0,0,0|1,0,0]=2 433 B8R0.7 CCCCCCC(=O)N 1P0037KH [0,0,1,0,0,0|1,0,0]=2 434 B8R0.7 CCCCCCC(=O)O 1P003RBO [0,0,1,0,0,0|0,0,0]=1 435 B8R0.7 CCCCCCC(=O)[O-] 1P0002NY [0,0,1,0,0,0|0,0,1]=2 436 B8R0.7 CCCCCCC(Br)C 1P00IAED [0,0,1,0,0,0|2,0,1]=4 437 B8R0.7 CCCCCCC(C)C 1P003I6O [0,0,1,0,0,0|2,0,1]=4 438 B8R0.7 CCCCCCC(N)C 1P003H0D [0,0,1,0,0,0|2,0,1]=4 439 B8R0.7 CCCCCCC(O)C 1P000KE8 [0,0,1,0,0,0|1,0,1]=3 440 B8R0.7 CCCCCCN(=O)=O 1P003F13 [0,0,1,0,0,0|1,0,1]=3 441 B8R0.7 CCCCCC[C@@H](O)C 1P003CXP [0,0,1,0,0,0|1,0,1]=3 442 B8R0.7 CCCCCC[C@H](N)C 1P003CPO [0,0,1,0,0,0|2,0,1]=4 443 B8R0.7 CCCCCC[C@H](O)C 1P003CSG [0,0,1,0,0,0|1,0,1]=3 444 B8R0.7 CCCCCOC(=O)C 1P0034XL [0,0,1,0,0,0|2,0,0]=3 445 B8R0.7 CCCCCOC(=O)Cl 1P003PAE [0,0,1,0,0,0|2,0,0]=3 446 B8R0.7 CCCCCOC(=S)[S-] 1P003OCT [0,0,1,0,0,0|1,2,0]=4 447 B8R0.7 CCCCNCC(=O)N 1P019NIT [0,0,1,0,0,0|2,0,0]=3 448 B8R0.7 CCCCNCC(=O)O 1P00J7X7 [0,0,1,0,0,0|1,0,0]=2 449 B8R0.7 CCCCOCC(=O)Cl 1P028I2X [0,0,1,0,0,0|2,0,0]=3 450 B8R0.7 CCCCOCC(=O)O 1P002R5S [0,0,1,0,0,0|1,0,0]=2 451 B8R0.7 CCCCSCC(=O)O 1P002AX9 [0,0,1,0,0,0|1,0,0]=2 452 B8R0.7 CCCC\C=C\C(=O)C 1P0076C0 [0,0,1,0,0,0|1,0,2]=4 453 B8R0.7 CCCNCCC(=O)O 1P01ELYG [0,0,1,0,0,0|1,0,0]=2 454 B8R0.7 CCCOCCC(=O)O 1P002BD9 [0,0,1,0,0,0|1,0,0]=2 455 B8R0.7 CCCSCCC(=O)Cl 1P028IX2 [0,0,1,0,0,0|2,0,0]=3 456 B8R0.7 CCCS\C=C/C(=O)O 1P028EBP [0,0,1,0,0,0|1,0,2]=4 457 B8R0.7 CCNCCCC(=O)O 1P002K4U [0,0,1,0,0,0|1,0,0]=2 458 B8R0.7 CCOCCCC(=O)O 1P019NUT [0,0,1,0,0,0|1,0,0]=2 459 B8R0.7 CCOCCNC(=O)N 1P019ZX5 [0,0,1,0,0,0|3,0,0]=4 460 B8R0.7 CCOCCOC(=O)Cl 1P00E93I [0,0,1,0,0,0|3,0,0]=4 461 B8R0.7 CCSCCCC(=N)N 1P01BEIH [0,0,1,0,0,0|3,0,0]=4 462 B8R0.7 CNCCCCC(=O)O 1P01DX5C [0,0,1,0,0,0|1,0,0]=2 463 B8R0.7 CNCCCNC(=O)C 1P01AJNL [0,0,1,0,0,0|3,0,0]=4 464 B8R0.7 COCCCCC(=O)O 1P006CGN [0,0,1,0,0,0|1,0,0]=2 465 B8R0.7 COCCCNC(=O)N 1P007DUD [0,0,1,0,0,0|3,0,0]=4 466 B8R0.7 COCCCOC(=O)C 1P01BITH [0,0,1,0,0,0|3,0,0]=4 467 B8R0.7 COCCCOC(=O)Cl 1P027VNF [0,0,1,0,0,0|3,0,0]=4 468 B8R0.7 COCCNCC(=O)N 1P01A8TR [0,0,1,0,0,0|3,0,0]=4 469 B8R0.7 COCCNCC(=O)O 1P019TZB [0,0,1,0,0,0|2,0,0]=3 470 B8R0.7 COCCNCC(=O)O 1P01AIYV [0,0,1,0,0,0|2,0,0]=3 471 B8R0.7 COCCOCC(=O)C 1P0089H1 [0,0,1,0,0,0|3,0,0]=4 472 B8R0.7 COCCOCC(=O)Cl 1P001S9J [0,0,1,0,0,0|3,0,0]=4 473 B8R0.7 COCCOCC(=O)O 1P001S9I [0,0,1,0,0,0|2,0,0]=3 474 B8R0.7 COCCSCC(=O)O 1P019MH3 [0,0,1,0,0,0|2,0,0]=3 475 B8R0.7 CSCCCCC(=O)O 1P005LP5 [0,0,1,0,0,0|1,0,0]=2 476 B8R0.7 CSCCCOC(=O)C 1P001X2X [0,0,1,0,0,0|3,0,0]=4 477 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [0,0,1,0,0,0|2,0,0]=3 478 B8R0.7 CSCCOCC(=O)O 1P028X17 [0,0,1,0,0,0|2,0,0]=3 479 B8R0.7 CSSCCCC(=O)O 1P0018IE [0,0,1,0,0,0|2,0,0]=3 480 B8R0.7 ClCCCCCC(=O)Cl 1P003NN4 [0,0,1,0,0,0|2,0,0]=3 481 B8R0.7 ClCCCCCC(=O)O 1P0034TE [0,0,1,0,0,0|1,0,0]=2 482 B8R0.7 ClCCCCNC(=O)C 1P01BKNG [0,0,1,0,0,0|3,0,0]=4 483 B8R0.7 ClCCCCOC(=O)C 1P0034GO [0,0,1,0,0,0|3,0,0]=4 484 B8R0.7 FCCCCCC(=O)O 1P00CWI0 [0,0,1,0,0,0|1,0,0]=2 485 B8R0.7 FCCCOCC(=O)O 1P028I6M [0,0,1,0,0,0|2,0,0]=3 486 B8R0.7 ICCCCCC(=O)O 1P01I3B5 [0,0,1,0,0,0|1,0,0]=2 487 B8R0.7 N#CCCCCC(=O)C 1P01C3NZ [0,0,1,0,0,0|2,0,1]=4 488 B8R0.7 N#CCCCCC(=O)N 1P002MFY [0,0,1,0,0,0|2,0,1]=4 489 B8R0.7 N#CCCCCC(=O)O 1P00DRW1 [0,0,1,0,0,0|1,0,1]=3 490 B8R0.7 N#CCCNCC(=O)O 1P00320S [0,0,1,0,0,0|2,0,1]=4 491 B8R0.7 N#CCCSCC(=O)O 1P028JU6 [0,0,1,0,0,0|2,0,1]=4 492 B8R0.7 NCCCCCC(=O)C 1P00IKV4 [0,0,1,0,0,0|2,0,0]=3 493 B8R0.7 NCCCCCC(=O)N 1P00CN40 [0,0,1,0,0,0|2,0,0]=3 494 B8R0.7 NCCCCCC(=O)O 1P0034SA [0,0,1,0,0,0|1,0,0]=2 495 B8R0.7 NCCCCCC(=O)O 1P00D9C9 [0,0,1,0,0,0|1,0,0]=2 496 B8R0.7 NCCCCNC(=O)C 1P00244C [0,0,1,0,0,0|3,0,0]=4 497 B8R0.7 NCCCCNC(=O)C 1P003T5V [0,0,1,0,0,0|3,0,0]=4 498 B8R0.7 NCCCCNC(=O)N 1P01AJJ7 [0,0,1,0,0,0|3,0,0]=4 499 B8R0.7 NCCCCSC(=O)C 1P01XFJ1 [0,0,1,0,0,0|3,0,0]=4 500 B8R0.7 NCCCOCC(=O)O 1P01FIX4 [0,0,1,0,0,0|2,0,0]=3 501 B8R0.7 NCCNCCC(=O)O 1P01A1P4 [0,0,1,0,0,0|2,0,0]=3 502 B8R0.7 NCCNCCC(=O)[O-] 1P00362F [0,0,1,0,0,0|2,0,1]=4 503 B8R0.7 NCCOCCC(=O)O 1P00HXT3 [0,0,1,0,0,0|2,0,0]=3 504 B8R0.7 NCCOCCC(=O)O 1P01ELVI [0,0,1,0,0,0|2,0,0]=3 505 B8R0.7 O=C(O)COCCC#C 1P01K8OJ [0,0,1,0,0,0|1,0,2]=4 506 B8R0.7 O=CCCCCC(=O)O 1P0068NJ [0,0,1,0,0,0|1,0,1]=3 507 B8R0.7 O=CNCCCC(=O)O 1P00BSRZ [0,0,1,0,0,0|2,0,1]=4 508 B8R0.7 OC(=O)C#CCCCF 1P027ZXI [0,0,1,0,0,0|1,0,2]=4 509 B8R0.7 OCCCCCC(=O)N 1P01DN53 [0,0,1,0,0,0|2,0,0]=3 510 B8R0.7 OCCCCCC(=O)O 1P000INE [0,0,1,0,0,0|1,0,0]=2 511 B8R0.7 OCCCCCC(=O)[O-] 1P0036KW [0,0,1,0,0,0|1,0,1]=3 512 B8R0.7 OCCCNCC(=O)[O-] 1P02829X [0,0,1,0,0,0|2,0,1]=4 513 B8R0.7 OCCNCCC(=O)O 1P00DHB0 [0,0,1,0,0,0|2,0,0]=3 514 B8R0.7 OCCOCCC(=O)O 1P00IG2B [0,0,1,0,0,0|2,0,0]=3 515 B8R0.7 S=C=NCCCC(=O)O 1P01ADPS [0,0,1,0,0,0|2,0,1]=4 516 B8R0.7 SCCCCCC(=O)O 1P0025EW [0,0,1,0,0,0|1,0,0]=2 517 B8R0.7 SCCOCCC(=O)O 1P01FGCI [0,0,1,0,0,0|2,0,0]=3 518 B8R0.7 [N-]=[N+]=NCCCC(=O)O 1P00DGWV [0,0,1,0,0,0|3,0,0]=4 519 B8R0.7 [O-]CCCCCC(=O)O 1P00DYY3 [0,0,1,0,0,0|1,0,0]=2 520 B8R0.22 CCC(OCC)OCC 1P003UFY [0,0,1,0,0,0|2,0,1]=4 521 B8R0.22 CCCC(CC=O)CC 1P02938V [0,0,1,0,0,0|1,0,0]=2 522 B8R0.22 CCCC(CCO)CC 1P028A18 [0,0,1,0,0,0|1,0,2]=4 523 B8R0.22 CCCC(N=C=O)CC 1P02887U [0,0,1,0,0,0|1,0,1]=3 524 B8R0.22 CCCC(OCC)CN 1P01BVJV [0,0,1,0,0,0|2,0,1]=4 525 B8R0.22 COCC(N=C=O)CC 1P0288I6 [0,0,1,0,0,0|2,0,1]=4 526 B10R2.2 C[C@H]1N[C@@H]2[C@H](C1)CCC2 1P028D1F [0,0,0,1,0,0|2,0,1]=4 527 B10R2.2 NC1CC2C(C1)CCC2 1P01X7OZ [0,0,0,1,0,0|2,0,1]=4 528 B10R2.2 NN1CC2C(C1)CCC2 1P00IAT1 [0,0,0,1,0,0|3,0,0]=4 529 B10R2.2 O=C1CC2C(C1)CNC2 1P000T48 [0,0,0,1,0,0|2,0,0]=3 530 B10R2.2 O=C1CC2C(C1)COC2 1P018IT3 [0,0,0,1,0,0|2,0,0]=3 531 B10R2.2 O=C1CC2C(C1)CSC2 1P00HYAC [0,0,0,1,0,0|2,0,0]=3 532 B10R2.2 O=C1CC2C(O1)OCC2 1P019T33 [0,0,0,1,0,0|1,0,0]=2 533 B10R2.2 O=C1CN2C(C1)CCC2 1P01FJTA [0,0,0,1,0,0|2,0,0]=3 534 B10R2.2 O=C1C[C@@H]2[C@H](C1)CCC2 1P00ATZI [0,0,0,1,0,0|1,0,0]=2 535 B10R2.2 O=C1C[C@@H]2[C@H](C1)COC2 1P01IGTG [0,0,0,1,0,0|2,0,0]=3 536 B10R2.2 O=C1C[C@@H]2[C@H](C1)CSC2 1P028MZF [0,0,0,1,0,0|2,0,0]=3 537 B10R2.2 O=C1C[C@@H]2[C@H](O1)OCC2 1P0048FS [0,0,0,1,0,0|1,0,0]=2 538 B10R2.2 O=C1C[C@H]2[C@@H](O1)C=CC2 1P01GC43 [0,0,0,1,0,0|0,0,2]=3 539 B10R2.2 O=C1C[C@H]2[C@H](C1)COC2 1P01JULA [0,0,0,1,0,0|2,0,0]=3 540 B10R2.2 O=C1N[C@@H]2[C@H](C1)CCC2 1P005P4W [0,0,0,1,0,0|1,0,0]=2 541 B10R2.2 O=C1N[C@@H]2[C@H](C1)CNC2 1P027UAX [0,0,0,1,0,0|2,0,0]=3 542 B10R2.2 O=C1N[C@@H]2[C@H](N1)CNC2 1P0289MH [0,0,0,1,0,0|3,0,0]=4 543 B10R2.2 O=C1OC2C(N1)CCC2 1P000BM3 [0,0,0,1,0,0|1,0,0]=2 544 B10R2.2 O=C1OC2C(O1)COC2 1P00174H [0,0,0,1,0,0|2,0,0]=3 545 B10R2.2 O=C1O[C@@H]2[C@H](N1)COC2 1P027YQ7 [0,0,0,1,0,0|2,0,0]=3 546 B10R2.2 O=C1O[C@@H]2[C@H](O1)CNC2 1P01FK11 [0,0,0,1,0,0|2,0,0]=3 547 B10R2.14 NC1CCC(C1)C2CC2 1P0289EH [0,0,0,1,0,0|2,0,1]=4 548 B10R2.14 O=C1CCC(C1)C2CC2 1P00IB3K [0,0,0,1,0,0|1,0,0]=2 549 B10R2.14 O=C1CCC(N1)C2CC2 1P004T7O [0,0,0,1,0,0|1,0,0]=2 550 B10R2.14 O=C1CCC(O1)C2CC2 1P028EJ5 [0,0,0,1,0,0|0,0,0]=1 551 B10R2.14 O=C1CCN(C1)C2CC2 1P019XCB [0,0,0,1,0,0|2,0,0]=3 552 B10R2.14 O=C1NCC(C1)C2CC2 1P000TQJ [0,0,0,1,0,0|2,0,0]=3 553 B10R2.14 O=C1OCC(N1)C2CC2 1P01C7FH [0,0,0,1,0,0|2,0,0]=3 554 B10R2.32 O=C1CCC2=C1CCC2 1P01CAQQ [0,0,0,1,0,0|1,0,1]=3 555 B10R2.32 O=C1CCC2C1CNC2 1P000XJ6 [0,0,0,1,0,0|2,0,0]=3 556 B10R2.32 O=C1CCC2N1CCC2 1P01HH90 [0,0,0,1,0,0|1,0,0]=2 557 B10R2.32 O=C1CCN2C1CCC2 1P001HFD [0,0,0,1,0,0|2,0,0]=3 558 B10R2.32 O=C1CC[C@H]2[C@@H]1C=CC2 1P027W28 [0,0,0,1,0,0|1,0,2]=4 559 B10R2.32 O=C1CC[C@H]2[C@@H]1CCC2 1P01BUNG [0,0,0,1,0,0|1,0,0]=2 560 B10R2.32 O=C1CS[C@H]2[C@@H]1CCC2 1P027WIF [0,0,0,1,0,0|2,0,0]=3 561 B10R2.32 O=C1NCC2C1CCC2 1P01C3CW [0,0,0,1,0,0|2,0,0]=3 562 B10R2.32 O=C1NC[C@@H]2[C@H]1COC2 1P01Z9SE [0,0,0,1,0,0|3,0,0]=4 563 B10R2.32 O=C1NC[C@@H]2[C@H]1NCC2 1P0007B3 [0,0,0,1,0,0|3,0,0]=4 564 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 1P028FOY [0,0,0,1,0,0|2,0,0]=3 565 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 1P028M3B [0,0,0,1,0,0|2,0,0]=3 566 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 1P028Z1N [0,0,0,1,0,0|3,0,0]=4 567 B10R2.61 N[C@@H]1C[C@H]2C[C@@H]1CCC2 1P028U2L [0,0,0,1,0,0|2,0,1]=4 568 B10R2.61 O=C1CN2CC1CCC2 1P01A36S [0,0,0,1,0,0|2,0,0]=3 569 B10R2.61 O=C1CN2CC1CCC2 1P027W6Z [0,0,0,1,0,0|2,0,0]=3 570 B10R2.61 O=C1NC2CC1CNC2 1P028BZC [0,0,0,1,0,0|2,0,0]=3 571 B10R2.61 O=C1NC2CC1COC2 1P028DTB [0,0,0,1,0,0|2,0,0]=3 572 B10R2.61 O=C1NC2CC1CSC2 1P028QG8 [0,0,0,1,0,0|2,0,0]=3 573 B10R2.61 O=C1NC2CC1NCC2 1P01EJHQ [0,0,0,1,0,0|2,0,0]=3 574 B10R2.61 O=C1N[C@@H]2C[C@H]1CC=C2 1P028EXE [0,0,0,1,0,0|1,0,2]=4 575 B10R2.61 O=C1OC2CC1CC=C2 1P00DF26 [0,0,0,1,0,0|0,0,2]=3 576 B10R2.61 O=C1OC2CC1NCC2 1P01DQS9 [0,0,0,1,0,0|1,0,0]=2 577 B10R2.61 O=C1OC2CC1NCC2 1P0280LV [0,0,0,1,0,0|1,0,0]=2 578 B10R2.61 O[C@@H]1C[C@@H]2C[C@H]1CCC2 1P0289M3 [0,0,0,1,0,0|1,0,2]=4 579 B10R2.63 CC1CN2CC1C(=O)C2 1P0290BY [0,0,0,1,0,0|2,0,0]=3 580 B10R2.71 CC1CC2CCC(C1)N2 1P019SHQ [0,0,0,1,0,0|2,0,1]=4 581 B10R2.71 CC1CC2CCC(C1)N2 1P028V9B [0,0,0,1,0,0|2,0,1]=4 582 B10R2.71 C[C@@H]1C[C@@H]2CC[C@H](C1)N2 1P028WH9 [0,0,0,1,0,0|2,0,1]=4 583 B10R2.71 NC1CC2CCC(C1)O2 1P001U65 [0,0,0,1,0,0|2,0,1]=4 584 B10R2.71 NC1CC2CCC(C1)O2 1P00IGZM [0,0,0,1,0,0|2,0,1]=4 585 B10R2.71 NC1C[C@@H]2CC[C@H](C1)O2 1P00G2BZ [0,0,0,1,0,0|2,0,1]=4 586 B10R2.71 N[C@@H]1C[C@@H]2CC[C@H](C1)O2 1P024W9J [0,0,0,1,0,0|2,0,1]=4 587 B10R2.71 OC1CC2CCC(C1)O2 1P000EI5 [0,0,0,1,0,0|2,0,1]=4 588 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 1P00I79D [0,0,0,1,0,0|2,0,1]=4 589 B10R2.71 O[C@@H]1C[C@H]2CC[C@@H](C1)O2 1P00HZ30 [0,0,0,1,0,0|2,0,1]=4 590 B10R2.99 BrCC1CC2OC1CC2 1P01AV9Y [0,0,0,1,0,0|2,0,1]=4 591 B10R2.99 BrC[C@@H]1C[C@@H]2O[C@H]1CC2 1P02058T [0,0,0,1,0,0|2,0,1]=4 592 B10R2.99 BrC[C@@H]1C[C@H]2O[C@@H]1CC2 1P00J3C9 [0,0,0,1,0,0|2,0,1]=4 593 B10R2.99 BrC[C@H]1C[C@H]2O[C@@H]1CC2 1P00J392 [0,0,0,1,0,0|2,0,1]=4 594 B10R2.99 CNC1CC2OC1CC2 1P028I3D [0,0,0,1,0,0|2,0,1]=4 595 B10R2.99 CN[C@@H]1C[C@H]2O[C@@H]1CC2 1P027W0Z [0,0,0,1,0,0|2,0,1]=4 596 B10R2.99 NCC1CC2OC1CC2 1P00AN78 [0,0,0,1,0,0|2,0,1]=4 597 B10R2.99 NC[C@@H]1C[C@@H]2O[C@H]1CC2 1P028QTI [0,0,0,1,0,0|2,0,1]=4 598 B10R2.99 NC[C@@H]1C[C@@H]2O[C@H]1CC2 1P028WFQ [0,0,0,1,0,0|2,0,1]=4 599 B10R2.99 NC[C@@H]1C[C@H]2O[C@@H]1CC2 1P00J3CA [0,0,0,1,0,0|2,0,1]=4 600 B10R2.99 NC[C@@H]1C[C@H]2O[C@@H]1CC2 1P028OMV [0,0,0,1,0,0|2,0,1]=4 601 B10R2.99 NC[C@H]1C[C@H]2O[C@@H]1CC2 1P00J38Q [0,0,0,1,0,0|2,0,1]=4 602 B10R2.99 OCC1CC2OC1CC2 1P01AVCY [0,0,0,1,0,0|2,0,1]=4 603 B10R2.99 OC[C@@H]1C[C@@H]2O[C@H]1CC2 1P01JUGE [0,0,0,1,0,0|2,0,1]=4 604 B10R2.138 C1NCC2OC(C1)CC2 1P01EJHR [0,0,0,1,0,0|2,0,1]=4 605 B10R2.236 FC12CCCC(N1)CC2 1P01FK75 [0,0,0,1,0,0|2,0,1]=4 606 B10R2.332 BrC1CCC2(C1)CCC2 1P028U3N [0,0,0,1,0,0|2,0,1]=4 607 B10R2.332 C=C1CNC2(C1)CCC2 1P01EG4F [0,0,0,1,0,0|3,0,0]=4 608 B10R2.332 NC1CCC2(C1)CCC2 1P0286OP [0,0,0,1,0,0|2,0,1]=4 609 B10R2.332 O=C1C=CC2(C1)CCC2 1P028OCE [0,0,0,1,0,0|1,0,2]=4 610 B10R2.332 O=C1CCC2(C1)CCC2 1P020L0B [0,0,0,1,0,0|1,0,0]=2 611 B10R2.332 O=C1CCC2(C1)COC2 1P01JPL3 [0,0,0,1,0,0|2,0,0]=3 612 B10R2.332 O=C1CCC2(N1)CCC2 1P01DX62 [0,0,0,1,0,0|1,0,0]=2 613 B10R2.332 O=C1CCC2(N1)CNC2 1P001U7N [0,0,0,1,0,0|2,0,0]=3 614 B10R2.332 O=C1CCC2(N1)CNC2 1P01FKVC [0,0,0,1,0,0|2,0,0]=3 615 B10R2.332 O=C1CCC2(O1)CCC2 1P028LN1 [0,0,0,1,0,0|0,0,0]=1 616 B10R2.332 O=C1CCC2(O1)CNC2 1P027TSH [0,0,0,1,0,0|1,0,0]=2 617 B10R2.332 O=C1CNC2(C1)CCC2 1P0284H7 [0,0,0,1,0,0|2,0,0]=3 618 B10R2.332 O=C1COC2(C1)CCC2 1P01C5QG [0,0,0,1,0,0|2,0,0]=3 619 B10R2.332 O=C1COC2(C1)CNC2 1P01M3S6 [0,0,0,1,0,0|3,0,0]=4 620 B10R2.332 O=C1COC2(C1)COC2 1P01KYDY [0,0,0,1,0,0|3,0,0]=4 621 B10R2.332 O=C1NCC2(C1)CCC2 1P018SK4 [0,0,0,1,0,0|2,0,0]=3 622 B10R2.332 O=C1NCC2(C1)CNC2 1P00ILJT [0,0,0,1,0,0|3,0,0]=4 623 B10R2.332 O=C1NCC2(C1)CNC2 1P01FKVF [0,0,0,1,0,0|3,0,0]=4 624 B10R2.332 O=C1NCC2(C1)COC2 1P008XHC [0,0,0,1,0,0|3,0,0]=4 625 B10R2.332 O=C1NCC2(N1)CNC2 1P00J3AW [0,0,0,1,0,0|3,0,0]=4 626 B10R2.332 O=C1NCC2(O1)CCC2 1P002V78 [0,0,0,1,0,0|1,0,0]=2 627 B10R2.332 O=C1NCC2(O1)CNC2 1P001KCL [0,0,0,1,0,0|2,0,0]=3 628 B10R2.332 O=C1NCC2(O1)CNC2 1P01C46J [0,0,0,1,0,0|2,0,0]=3 629 B10R2.332 O=C1NCC2(O1)CNC2 1P028092 [0,0,0,1,0,0|2,0,0]=3 630 B10R2.332 O=C1NCC2(O1)COC2 1P0291ZZ [0,0,0,1,0,0|2,0,0]=3 631 B10R2.332 O=C1OCC2(C1)CCC2 1P01EJ22 [0,0,0,1,0,0|2,0,0]=3 632 B10R2.332 O=C1OCC2(C1)CNC2 1P027ZYJ [0,0,0,1,0,0|3,0,0]=4 633 B10R2.332 O=C1OCC2(N1)CCC2 1P01DVUC [0,0,0,1,0,0|2,0,0]=3 634 B10R2.332 O=C1OCC2(N1)CNC2 1P01FKVD [0,0,0,1,0,0|3,0,0]=4 635 B10R2.332 O=C1OCC2(N1)COC2 1P028FLO [0,0,0,1,0,0|3,0,0]=4 636 B8R1.6 BrCCC1CC(=O)C1 1P00A1I0 [0,0,0,0,1,0|2,0,0]=3 637 B8R1.6 C=CCC1CC(=O)N1 1P00VS99 [0,0,0,0,1,0|1,0,2]=4 638 B8R1.6 CCCC1CC(=O)C1 1P01DYCU [0,0,0,0,1,0|1,0,0]=2 639 B8R1.6 CCCC1CC(=O)N1 1P002M1S [0,0,0,0,1,0|1,0,0]=2 640 B8R1.6 CCCC1CC(C1)Br 1P027YQY [0,0,0,0,1,0|2,0,1]=4 641 B8R1.6 CCOC1CC(=O)C1 1P01A4XY [0,0,0,0,1,0|2,0,0]=3 642 B8R1.6 CNCC1CC(=C)C1 1P02846X [0,0,0,0,1,0|3,0,0]=4 643 B8R1.6 COCC1CC(=O)C1 1P003A93 [0,0,0,0,1,0|2,0,0]=3 644 B8R1.6 FCCC1CC(=O)C1 1P028DKJ [0,0,0,0,1,0|2,0,0]=3 645 B8R1.6 N#CCC1CC(=O)C1 1P002DFB [0,0,0,0,1,0|2,0,1]=4 646 B8R1.6 NCCC1CC(=C)C1 1P027WCV [0,0,0,0,1,0|3,0,0]=4 647 B8R1.6 NCCC1CC(=O)C1 1P028S0O [0,0,0,0,1,0|2,0,0]=3 648 B8R1.6 OCCC1CC(=C)C1 1P01FI45 [0,0,0,0,1,0|3,0,0]=4 649 B8R1.13 C(C#N)C1CCC1=O 1P027VIJ [0,0,0,0,1,0|1,0,1]=3 650 B8R1.13 COCC1CCC1=O 1P0209WY [0,0,0,0,1,0|1,0,0]=2 651 B8R1.13 COCC1CCC1N 1P01BD02 [0,0,0,0,1,0|2,0,1]=4 652 B8R1.13 COC[C@@H]1CC[C@@H]1N 1P01BUMW [0,0,0,0,1,0|2,0,1]=4 653 B8R1.13 COC[C@@H]1CC[C@H]1N 1P01C5PY [0,0,0,0,1,0|2,0,1]=4 654 B8R1.13 COC[C@H]1CC[C@@H]1N 1P01ALYJ [0,0,0,0,1,0|2,0,1]=4 655 B8R1.13 COC[C@H]1CC[C@H]1N 1P01ALYI [0,0,0,0,1,0|2,0,1]=4 656 B8R1.13 ClCCC1CCC1=O 1P01BD52 [0,0,0,0,1,0|1,0,0]=2 657 B8R1.13 OCCN1CCC1=O 1P028Z12 [0,0,0,0,1,0|2,0,0]=3 658 B10R1.1 C(C#C)C1CCC(=O)C=C1 1P028V1V [0,0,0,0,0,1|1,0,2]=4 659 B10R1.1 CCCC1CCC(=O)CC1 1P003MGX [0,0,0,0,0,1|1,0,0]=2 660 B10R1.1 CCCC1CCC(CC1)N 1P008XFV [0,0,0,0,0,1|2,0,1]=4 661 B10R1.1 CCCC1CCC(CC1)O 1P003MGW [0,0,0,0,0,1|1,0,2]=4 662 B10R1.1 CCCN1CCC(=O)CC1 1P002MR6 [0,0,0,0,0,1|2,0,0]=3 663 B10R1.1 CCC[C@@H]1CC[C@H](CC1)O 1P003VF2 [0,0,0,0,0,1|1,0,2]=4 664 B10R1.1 CCNC1CCC(=O)NC1 1P027Y1I [0,0,0,0,0,1|2,0,0]=3 665 B10R1.1 CCOC1CCC(=O)CC1 1P002NY0 [0,0,0,0,0,1|2,0,0]=3 666 B10R1.1 CCON1CCC(=O)CC1 1P009SKB [0,0,0,0,0,1|3,0,0]=4 667 B10R1.1 COCC1CCC(=O)CC1 1P00B6CD [0,0,0,0,0,1|2,0,0]=3 668 B10R1.1 CSCC1CCC(=O)CC1 1P01ANRQ [0,0,0,0,0,1|2,0,0]=3 669 B10R1.1 NCCC1CCC(=O)NC1 1P01FJU2 [0,0,0,0,0,1|2,0,0]=3 670 B10R1.1 OCCC1CCC(=O)CC1 1P00CBDS [0,0,0,0,0,1|2,0,0]=3 671 B10R1.1 OCCN1CCC(=O)CC1 1P01C4FH [0,0,0,0,0,1|3,0,0]=4 672 B10R1.10 BrCCC1CCCC(=O)O1 1P01DW09 [0,0,0,0,0,1|1,0,0]=2 673 B10R1.10 C=CCC1CCCC(=O)N1 1P028396 [0,0,0,0,0,1|1,0,2]=4 674 B10R1.10 CC1CNCC(O1)CCO 1P021YNM [0,0,0,0,0,1|2,0,1]=4 675 B10R1.10 CC1COCC(O1)CCN 1P028AHU [0,0,0,0,0,1|2,0,1]=4 676 B10R1.10 CCCC1CC(=O)CCO1 1P01AIPQ [0,0,0,0,0,1|1,0,0]=2 677 B10R1.10 CCCC1CC(O)CCO1 1P01A5UV [0,0,0,0,0,1|1,0,2]=4 678 B10R1.10 CCCC1CC=CC(=O)O1 1P007W4T [0,0,0,0,0,1|0,0,1]=2 679 B10R1.10 CCCC1CCCC(=O)O1 1P003N9J [0,0,0,0,0,1|0,0,0]=1 680 B10R1.10 CCCC1CCOC(S1)C 1P003I42 [0,0,0,0,0,1|1,1,1]=4 681 B10R1.10 CCOC1=CC(=O)CCC1 1P003JU4 [0,0,0,0,0,1|2,0,1]=4 682 B10R1.10 CCOC1CCCC(=O)C1 1P00AF2G [0,0,0,0,0,1|2,0,0]=3 683 B10R1.10 COCC1CCCC(=O)N1 1P027UTF [0,0,0,0,0,1|2,0,0]=3 684 B10R1.10 COCC1CCNC(=O)C1 1P01BXX1 [0,0,0,0,0,1|2,0,0]=3 685 B10R1.10 COCC1CNCC(O1)C 1P01B1LT [0,0,0,0,0,1|2,0,1]=4 686 B10R1.10 NCCC1CCNC(=O)C1 1P028I51 [0,0,0,0,0,1|2,0,0]=3 687 B10R1.10 NCCN1CCNC(=O)C1 1P001DOP [0,0,0,0,0,1|3,0,0]=4 688 B10R1.10 OCCC1CCNC(=O)C1 1P028OER [0,0,0,0,0,1|2,0,0]=3 689 B10R1.10 OCCC1NCCC(=O)C1 1P027V5F [0,0,0,0,0,1|2,0,0]=3 690 B10R1.10 OCCN1CCNC(=O)C1 1P003KGM [0,0,0,0,0,1|3,0,0]=4 691 B7R0.1 BrCCCCCC=C 1P0034UK [1,0,1,0,0,0|2,0,0]=4 692 B7R0.1 C=CCCCCC=O 1P007WQ2 [1,0,1,0,0,0|0,0,2]=4 693 B7R0.1 C=CCCCNCC 1P01EMH2 [1,0,1,0,0,0|2,0,0]=4 694 B7R0.1 CCCCCCC#C 1P003F1Q [1,0,1,0,0,0|1,0,1]=4 695 B7R0.1 CCCCCCC#N 1P00E98Y [1,0,1,0,0,0|1,0,1]=4 696 B7R0.1 CCCCCCC=C 1P0033AH [1,0,1,0,0,0|1,0,0]=3 697 B7R0.1 CCCCCCC=O 1P003RBK [1,0,1,0,0,0|0,0,0]=2 698 B7R0.1 CCCCCCCBr 1P00336U [1,0,1,0,0,0|1,0,1]=4 699 B7R0.1 CCCCCCCN 1P003TIH [1,0,1,0,0,0|1,0,1]=4 700 B7R0.1 CCCCCCCO 1P003RBM [1,0,1,0,0,0|0,0,1]=3 701 B7R0.1 CCCCCCCS 1P001UZQ [1,0,1,0,0,0|0,1,1]=4 702 B7R0.1 CCCCCCNC 1P003TIY [1,0,1,0,0,0|2,0,0]=4 703 B7R0.1 CCCCCCNC 1P0071Q4 [1,0,1,0,0,0|2,0,0]=4 704 B7R0.1 CCCCCCNO 1P01BKU4 [1,0,1,0,0,0|1,0,0]=3 705 B7R0.1 CCCCCCOC 1P003TIU [1,0,1,0,0,0|2,0,0]=4 706 B7R0.1 CCCCCCSC 1P0028ZM [1,0,1,0,0,0|2,0,0]=4 707 B7R0.1 CCCCCC[N+]#[C-] 1P001OR9 [1,0,1,0,0,0|2,0,0]=4 708 B7R0.1 CCCCCN=C=O 1P003U2Z [1,0,1,0,0,0|1,0,1]=4 709 B7R0.1 CCCCNCCO 1P003BJ4 [1,0,1,0,0,0|1,0,1]=4 710 B7R0.1 CCCCOCC=C 1P003O6A [1,0,1,0,0,0|2,0,0]=4 711 B7R0.1 CCCCOCC=O 1P002VRW [1,0,1,0,0,0|1,0,0]=3 712 B7R0.1 CCCCOCCBr 1P00EBMP [1,0,1,0,0,0|1,0,1]=4 713 B7R0.1 CCCCOCCCl 1P003HJ3 [1,0,1,0,0,0|1,0,1]=4 714 B7R0.1 CCCCOCCN 1P00ESKH [1,0,1,0,0,0|1,0,1]=4 715 B7R0.1 CCCCOCCO 1P0033NR [1,0,1,0,0,0|1,0,1]=4 716 B7R0.1 CCCCOCCS 1P028IOV [1,0,1,0,0,0|1,0,1]=4 717 B7R0.1 CCCC\C=C\C=O 1P002H9Q [1,0,1,0,0,0|0,0,2]=4 718 B7R0.1 CCCNCCCC 1P0028E7 [1,0,1,0,0,0|1,0,1]=4 719 B7R0.1 CCCNCCCO 1P00D49B [1,0,1,0,0,0|1,0,1]=4 720 B7R0.1 CCCOCCCN 1P001XQD [1,0,1,0,0,0|1,0,1]=4 721 B7R0.1 CCCOCCCO 1P00D6JL [1,0,1,0,0,0|1,0,1]=4 722 B7R0.1 CC\C=C/CCC=O 1P003PFX [1,0,1,0,0,0|0,0,2]=4 723 B7R0.1 CNCCCCC=C 1P004T6Q [1,0,1,0,0,0|2,0,0]=4 724 B7R0.1 CNCCCCC=C 1P00DFP1 [1,0,1,0,0,0|2,0,0]=4 725 B7R0.1 COCCCCC=O 1P004U88 [1,0,1,0,0,0|1,0,0]=3 726 B7R0.1 CSCCCCC=O 1P028FY9 [1,0,1,0,0,0|1,0,0]=3 727 B7R0.1 ClCCCCCC=O 1P006UWS [1,0,1,0,0,0|1,0,0]=3 728 B7R0.1 ICCCCCC=C 1P00KGQU [1,0,1,0,0,0|2,0,0]=4 729 B7R0.1 NCCCCCC=C 1P01BBBF [1,0,1,0,0,0|2,0,0]=4 730 B7R0.1 NCCCCCCO 1P0034S8 [1,0,1,0,0,0|1,0,1]=4 731 B7R0.1 NCCCCCNO 1P01EIRA [1,0,1,0,0,0|2,0,0]=4 732 B7R0.1 O=CCCCC#CC 1P019SA2 [1,0,1,0,0,0|0,0,2]=4 733 B7R0.1 O=CCCCCC#C 1P0064P4 [1,0,1,0,0,0|0,0,2]=4 734 B7R0.1 O=CCCCCC=O 1P008Y3A [1,0,1,0,0,0|1,0,1]=4 735 B7R0.1 O=CCCCOCC 1P0281KP [1,0,1,0,0,0|1,0,0]=3 736 B7R0.1 OCCCCCC=C 1P003NOS [1,0,1,0,0,0|2,0,0]=4 737 B7R0.1 OCCCCCC=O 1P00CLL5 [1,0,1,0,0,0|1,0,0]=3 738 B7R0.1 OCCCCCCBr 1P0034SJ [1,0,1,0,0,0|1,0,1]=4 739 B7R0.1 OCCCCCCCl 1P002DJW [1,0,1,0,0,0|1,0,1]=4 740 B7R0.1 OCCCCCCF 1P00CAR0 [1,0,1,0,0,0|1,0,1]=4 741 B7R0.1 OCCCCCCI 1P00CN8B [1,0,1,0,0,0|1,0,1]=4 742 B7R0.1 OCCCCCCO 1P003345 [1,0,1,0,0,0|1,0,1]=4 743 B7R0.1 OCCCCCCO 1P008OVF [1,0,1,0,0,0|1,0,1]=4 744 B7R0.1 OCCCCCCS 1P001UH1 [1,0,1,0,0,0|1,0,1]=4 745 B7R0.1 OCCCCCNC 1P002UFW [1,0,1,0,0,0|1,0,1]=4 746 B7R0.1 OCCCCCNC 1P01BG75 [1,0,1,0,0,0|1,0,1]=4 747 B7R0.1 OCCCCCOC 1P00DC1J [1,0,1,0,0,0|1,0,1]=4 748 B7R0.1 OCCCCCSC 1P01A7IQ [1,0,1,0,0,0|1,0,1]=4 749 B7R0.1 OCCCCNCC 1P003LSH [1,0,1,0,0,0|1,0,1]=4 750 B7R0.1 OCCCCOCC 1P009OA8 [1,0,1,0,0,0|1,0,1]=4 751 B7R0.1 OCCC\C=C/CC 1P003PFW [1,0,1,0,0,0|2,0,0]=4 752 B7R0.3 BrCCCC(=O)CBr 1P01C40P [1,0,1,0,0,0|2,0,0]=4 753 B7R0.3 BrCCCC(=O)CC 1P0029WY [1,0,1,0,0,0|1,0,0]=3 754 B7R0.3 CC(OC)CCC=O 1P01C9S2 [1,0,1,0,0,0|2,0,0]=4 755 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [1,0,1,0,0,0|0,0,2]=4 756 B7R0.3 CCC(CCC#C)O 1P01A0SZ [1,0,1,0,0,0|1,0,1]=4 757 B7R0.3 CCC(CCC=C)O 1P002BKB [1,0,1,0,0,0|1,0,0]=3 758 B7R0.3 CCC(\C=C\C=O)O 1P001SLJ [1,0,1,0,0,0|0,0,2]=4 759 B7R0.3 CCCCC(=C)CC 1P001UBV [1,0,1,0,0,0|1,0,0]=3 760 B7R0.3 CCCCC(=O)CBr 1P021RD0 [1,0,1,0,0,0|1,0,0]=3 761 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,0,1,0,0,0|0,0,0]=2 762 B7R0.3 CCCCC(=O)CCl 1P0028ST [1,0,1,0,0,0|1,0,0]=3 763 B7R0.3 CCCCC(=O)CN 1P01HITA [1,0,1,0,0,0|1,0,0]=3 764 B7R0.3 CCCCC(=O)NN 1P003VQV [1,0,1,0,0,0|2,0,0]=4 765 B7R0.3 CCCCC(=O)OC 1P003SJO [1,0,1,0,0,0|1,0,0]=3 766 B7R0.3 CCCCC(CC)Br 1P002BA2 [1,0,1,0,0,0|1,0,1]=4 767 B7R0.3 CCCCC(CC)C 1P003K82 [1,0,1,0,0,0|1,0,1]=4 768 B7R0.3 CCCCC(CC)I 1P01HTHG [1,0,1,0,0,0|1,0,1]=4 769 B7R0.3 CCCCC(CC)N 1P01EIJ3 [1,0,1,0,0,0|1,0,1]=4 770 B7R0.3 CCCCC(CC)O 1P003RBN [1,0,1,0,0,0|0,0,2]=4 771 B7R0.3 CCCNC(=O)CBr 1P01ANPB [1,0,1,0,0,0|2,0,0]=4 772 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,0,1,0,0,0|1,0,0]=3 773 B7R0.3 CCCNC(=O)CCl 1P001AW7 [1,0,1,0,0,0|2,0,0]=4 774 B7R0.3 CCCNC(=O)CN 1P00ED4J [1,0,1,0,0,0|2,0,0]=4 775 B7R0.3 CCCOC(=O)C=C 1P003TSC [1,0,1,0,0,0|0,0,2]=4 776 B7R0.3 CCCOC(=O)CC 1P0035ZU [1,0,1,0,0,0|0,0,0]=2 777 B7R0.3 CCCOC(=O)OC 1P00E956 [1,0,1,0,0,0|1,0,0]=3 778 B7R0.3 CCNCC(=O)NC 1P019NG5 [1,0,1,0,0,0|2,0,0]=4 779 B7R0.3 CCNCC(=O)NC 1P01EBZ2 [1,0,1,0,0,0|2,0,0]=4 780 B7R0.3 CCNCC(=O)OC 1P00HCTF [1,0,1,0,0,0|2,0,0]=4 781 B7R0.3 CCOCC(=O)CCl 1P00FH3Q [1,0,1,0,0,0|2,0,0]=4 782 B7R0.3 CCOCC(=O)OC 1P002545 [1,0,1,0,0,0|2,0,0]=4 783 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,0,1,0,0,0|2,0,0]=4 784 B7R0.3 CC[C@@H](CCC=C)O 1P028G66 [1,0,1,0,0,0|1,0,0]=3 785 B7R0.3 CC[C@H](CCC=C)O 1P028FU3 [1,0,1,0,0,0|1,0,0]=3 786 B7R0.3 CNC(=O)CCCCl 1P019VUY [1,0,1,0,0,0|2,0,0]=4 787 B7R0.3 CNC(=O)CCCN 1P00AXOC [1,0,1,0,0,0|2,0,0]=4 788 B7R0.3 CNC(=O)CCCS 1P01A62M [1,0,1,0,0,0|2,0,0]=4 789 B7R0.3 CNC(=O)OCCO 1P0011WV [1,0,1,0,0,0|2,0,0]=4 790 B7R0.3 CNCCC(=O)NC 1P003TN5 [1,0,1,0,0,0|2,0,0]=4 791 B7R0.3 CNCCC(=O)NC 1P00EEY9 [1,0,1,0,0,0|2,0,0]=4 792 B7R0.3 CNCCC(=O)OC 1P002OYU [1,0,1,0,0,0|2,0,0]=4 793 B7R0.3 CNCCC(=O)OC 1P00IBX1 [1,0,1,0,0,0|2,0,0]=4 794 B7R0.3 COC(=O)CCCBr 1P0035O3 [1,0,1,0,0,0|2,0,0]=4 795 B7R0.3 COC(=O)CCCCl 1P0034GP [1,0,1,0,0,0|2,0,0]=4 796 B7R0.3 COC(=O)CCCI 1P003SCF [1,0,1,0,0,0|2,0,0]=4 797 B7R0.3 COC(=O)CCCN 1P000UR2 [1,0,1,0,0,0|2,0,0]=4 798 B7R0.3 COC(=O)CCCS 1P00C7YW [1,0,1,0,0,0|2,0,0]=4 799 B7R0.3 COCCC(=O)CBr 1P027L2W [1,0,1,0,0,0|2,0,0]=4 800 B7R0.3 COCCC(=O)CCl 1P01A0MB [1,0,1,0,0,0|2,0,0]=4 801 B7R0.3 COCCC(=O)NC 1P01EW86 [1,0,1,0,0,0|2,0,0]=4 802 B7R0.3 COCCC(=O)OC 1P003S9I [1,0,1,0,0,0|2,0,0]=4 803 B7R0.3 COCCC(CC)O 1P01A2YR [1,0,1,0,0,0|2,0,0]=4 804 B7R0.3 COCOC(=O)CC 1P01DXTO [1,0,1,0,0,0|1,0,0]=3 805 B7R0.3 CSCCC(=O)NC 1P028IDE [1,0,1,0,0,0|2,0,0]=4 806 B7R0.3 CSCCC(=O)OC 1P003S6K [1,0,1,0,0,0|2,0,0]=4 807 B7R0.3 ClCCCC(=O)CC 1P01AC2E [1,0,1,0,0,0|1,0,0]=3 808 B7R0.3 ClCCCC(=O)CCl 1P005KNM [1,0,1,0,0,0|2,0,0]=4 809 B7R0.3 ICCCC(=O)CC 1P0292M5 [1,0,1,0,0,0|1,0,0]=3 810 B7R0.3 NCC(CCC=C)O 1P02938L [1,0,1,0,0,0|2,0,0]=4 811 B7R0.3 NCCCC(CC)O 1P01AEDS [1,0,1,0,0,0|1,0,1]=4 812 B7R0.3 NCCCC(CC)O 1P01AL9N [1,0,1,0,0,0|1,0,1]=4 813 B7R0.3 NCCNC(=O)CC 1P01DTQO [1,0,1,0,0,0|2,0,0]=4 814 B7R0.3 NCCNC(=O)CC 1P01XCPR [1,0,1,0,0,0|2,0,0]=4 815 B7R0.3 OC(CCl)CCC=C 1P009648 [1,0,1,0,0,0|2,0,0]=4 816 B7R0.3 OCCCC(CC)O 1P001V9W [1,0,1,0,0,0|0,0,2]=4 817 B7R0.3 OCCNC(=O)CC 1P0024IT [1,0,1,0,0,0|2,0,0]=4 818 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,0,1,0,0,0|1,0,0]=3 819 B7R0.7 CC(N=C=O)CCC 1P01B3IO [1,0,1,0,0,0|1,0,1]=4 820 B7R0.7 CC(SCC)CC=O 1P00C4U2 [1,0,1,0,0,0|2,0,0]=4 821 B7R0.7 CCCC(CC=C)O 1P003EU9 [1,0,1,0,0,0|0,0,1]=3 822 B7R0.7 CCCC(CC=O)C 1P002GOG [1,0,1,0,0,0|1,0,0]=3 823 B7R0.7 CCCC(CCBr)Br 1P01JTVR [1,0,1,0,0,0|2,0,0]=4 824 B7R0.7 CCCC(CCC)Br 1P003LGL [1,0,1,0,0,0|1,0,1]=4 825 B7R0.7 CCCC(CCC)C 1P003M8N [1,0,1,0,0,0|1,0,1]=4 826 B7R0.7 CCCC(CCC)N 1P001XW6 [1,0,1,0,0,0|1,0,1]=4 827 B7R0.7 CCCC(CCC)O 1P003LXE [1,0,1,0,0,0|0,0,1]=3 828 B7R0.7 CCCC(CCC)S 1P01A89D [1,0,1,0,0,0|0,1,1]=4 829 B7R0.7 CCCC(CCO)C 1P0010Z8 [1,0,1,0,0,0|1,0,1]=4 830 B7R0.7 CCCC(CCO)N 1P005O4J [1,0,1,0,0,0|1,0,1]=4 831 B7R0.7 CCCC(CCO)O 1P00BTGZ [1,0,1,0,0,0|0,0,1]=3 832 B7R0.7 CCCC(CCO)S 1P003K2X [1,0,1,0,0,0|0,1,1]=4 833 B7R0.7 CCCC(CNC)C 1P01FKWE [1,0,1,0,0,0|2,0,0]=4 834 B7R0.7 CCCC(OCC)C 1P0023IU [1,0,1,0,0,0|0,0,1]=3 835 B7R0.7 CCC[C@@H](CCO)N 1P00FEK2 [1,0,1,0,0,0|1,0,1]=4 836 B7R0.7 CCC[C@H](CCO)N 1P01JS6F [1,0,1,0,0,0|1,0,1]=4 837 B7R0.7 CCOC(OCC)C 1P003O2W [1,0,1,0,0,0|1,0,1]=4 838 B7R0.7 CNCC(CCO)O 1P0283F3 [1,0,1,0,0,0|1,0,1]=4 839 B7R0.7 CNCC(OCC)C 1P004795 [1,0,1,0,0,0|1,0,1]=4 840 B7R0.7 COCC(CC=O)C 1P0292UC [1,0,1,0,0,0|2,0,0]=4 841 B7R0.7 COCC(CCN)O 1P01A40K [1,0,1,0,0,0|2,0,0]=4 842 B7R0.7 NCCC(CCN)O 1P028VWF [1,0,1,0,0,0|2,0,0]=4 843 B7R0.7 NCCC(OCC)C 1P028T42 [1,0,1,0,0,0|1,0,1]=4 844 B7R0.7 NCC[C@H](CCO)O 1P02836B [1,0,1,0,0,0|1,0,1]=4 845 B7R0.7 OCCC(CCO)O 1P00DDUY [1,0,1,0,0,0|1,0,1]=4 846 B7R0.2 *C(OC(=O)C)C* 1P003UAU [1,0,1,0,0,0|2,0,0]=4 847 B7R0.2 CC(=O)OC(CBr)Br 1P007NQ4 [1,0,1,0,0,0|2,0,0]=4 848 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [1,0,1,0,0,0|0,0,2]=4 849 B7R0.2 CC(CC)CC(=O)O 1P00359B [1,0,1,0,0,0|2,0,0]=4 850 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [1,0,1,0,0,0|2,0,0]=4 851 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [1,0,1,0,0,0|2,0,0]=4 852 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [1,0,1,0,0,0|1,0,0]=3 853 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [1,0,1,0,0,0|1,0,1]=4 854 B7R0.2 CCC(CC(=O)C)C 1P0038PR [1,0,1,0,0,0|1,0,0]=3 855 B7R0.2 CCN(CC(=O)C)C 1P0091DD [1,0,1,0,0,0|2,0,0]=4 856 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [1,0,1,0,0,0|2,0,0]=4 857 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [1,0,1,0,0,0|2,0,0]=4 858 B7R0.4 BrCCCCC(=O)C 1P0007J6 [1,0,1,0,0,0|2,0,0]=4 859 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [1,0,1,0,0,0|2,0,0]=4 860 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,0,1,0,0,0|1,0,0]=3 861 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [1,0,1,0,0,0|1,0,1]=4 862 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,0,1,0,0,0|2,0,0]=4 863 B7R0.4 C#CCCCC(=O)O 1P0034QU [1,0,1,0,0,0|0,0,2]=4 864 B7R0.4 C=CCCCC(=O)O 1P001Q42 [1,0,1,0,0,0|0,0,2]=4 865 B7R0.4 CC#CCCC(=O)O 1P00CIJW [1,0,1,0,0,0|0,0,2]=4 866 B7R0.4 CC#CCOC(=O)C 1P003P1Q [1,0,1,0,0,0|0,0,2]=4 867 B7R0.4 CC(=O)NCCCBr 1P019XXZ [1,0,1,0,0,0|2,0,0]=4 868 B7R0.4 CC(=O)NCCCCl 1P001DGW [1,0,1,0,0,0|2,0,0]=4 869 B7R0.4 CC(=O)NCCCN 1P00CJ9K [1,0,1,0,0,0|2,0,0]=4 870 B7R0.4 CC(=O)NCCCN 1P00DL1J [1,0,1,0,0,0|2,0,0]=4 871 B7R0.4 CC(=O)NCCCO 1P009RY1 [1,0,1,0,0,0|2,0,0]=4 872 B7R0.4 CC(=O)OCCC=C 1P001Q0I [1,0,1,0,0,0|0,0,2]=4 873 B7R0.4 CC(=O)OCCCCl 1P003JS4 [1,0,1,0,0,0|1,0,0]=3 874 B7R0.4 CC(=O)OCCCI 1P00EKA4 [1,0,1,0,0,0|1,0,0]=3 875 B7R0.4 CC(=O)SCCCCl 1P000UI6 [1,0,1,0,0,0|1,1,0]=4 876 B7R0.4 CC(=O)SCCCO 1P01DU4A [1,0,1,0,0,0|1,1,0]=4 877 B7R0.4 CCC#CCC(=O)O 1P00269H [1,0,1,0,0,0|0,0,2]=4 878 B7R0.4 CCCC#CC(=O)O 1P003HTY [1,0,1,0,0,0|0,0,2]=4 879 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [1,0,1,0,0,0|1,0,1]=4 880 B7R0.4 CCCCCB(O)O 1P003TRG [1,0,1,0,0,0|1,0,1]=4 881 B7R0.4 CCCCCC(=N)N 1P00J1UF [1,0,1,0,0,0|2,0,0]=4 882 B7R0.4 CCCCCC(=N)N 1P028M17 [1,0,1,0,0,0|2,0,0]=4 883 B7R0.4 CCCCCC(=O)C 1P0033SO [1,0,1,0,0,0|1,0,0]=3 884 B7R0.4 CCCCCC(=O)Cl 1P003RDM [1,0,1,0,0,0|1,0,0]=3 885 B7R0.4 CCCCCC(=O)N 1P003RDF [1,0,1,0,0,0|1,0,0]=3 886 B7R0.4 CCCCCC(=O)O 1P0035GM [1,0,1,0,0,0|0,0,0]=2 887 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [1,0,1,0,0,0|0,0,1]=3 888 B7R0.4 CCCCCC(=S)N 1P001WHQ [1,0,1,0,0,0|1,1,0]=4 889 B7R0.4 CCCCCC(O)C 1P00DX8F [1,0,1,0,0,0|1,0,1]=4 890 B7R0.4 CCCCC[C@@H](O)C 1P003CX9 [1,0,1,0,0,0|1,0,1]=4 891 B7R0.4 CCCCC[C@H](O)C 1P003CKJ [1,0,1,0,0,0|1,0,1]=4 892 B7R0.4 CCCCC[N+](=O)[O-] 1P00EG5W [1,0,1,0,0,0|1,0,1]=4 893 B7R0.4 CCCCNC(=O)C 1P007VII [1,0,1,0,0,0|1,0,0]=3 894 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [1,0,1,0,0,0|2,0,0]=4 895 B7R0.4 CCCCNC(=O)N 1P0035TZ [1,0,1,0,0,0|2,0,0]=4 896 B7R0.4 CCCCOC(=O)C 1P000KEE [1,0,1,0,0,0|0,0,0]=2 897 B7R0.4 CCCCOC(=O)N 1P003TBD [1,0,1,0,0,0|1,0,0]=3 898 B7R0.4 CCCCOC(=S)S 1P003UCL [1,0,1,0,0,0|1,1,0]=4 899 B7R0.4 CCCCOC(C)C 1P00B4WT [1,0,1,0,0,0|1,0,1]=4 900 B7R0.4 CCCCSC(=O)C 1P003UQS [1,0,1,0,0,0|0,1,0]=3 901 B7R0.4 CCCCSC(=O)Cl 1P001A84 [1,0,1,0,0,0|1,1,0]=4 902 B7R0.4 CCCNCC(=O)N 1P01AM1O [1,0,1,0,0,0|2,0,0]=4 903 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,0,1,0,0,0|1,0,0]=3 904 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,0,1,0,0,0|1,0,0]=3 905 B7R0.4 CCCSCC(=O)C 1P01CANS [1,0,1,0,0,0|2,0,0]=4 906 B7R0.4 CCCSCC(=O)O 1P002AXA [1,0,1,0,0,0|1,0,0]=3 907 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,0,1,0,0,0|0,0,2]=4 908 B7R0.4 CCNCCC(=O)N 1P003IOR [1,0,1,0,0,0|2,0,0]=4 909 B7R0.4 CCNCCC(=O)O 1P019WSK [1,0,1,0,0,0|1,0,0]=3 910 B7R0.4 CCOCCC(=O)O 1P003JUP [1,0,1,0,0,0|1,0,0]=3 911 B7R0.4 CCSCCC(=O)Cl 1P0286NR [1,0,1,0,0,0|2,0,0]=4 912 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,0,1,0,0,0|1,0,0]=3 913 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [1,0,1,0,0,0|0,0,2]=4 914 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [1,0,1,0,0,0|0,0,2]=4 915 B7R0.4 CNCCCC(=O)O 1P0034AB [1,0,1,0,0,0|1,0,0]=3 916 B7R0.4 CNCCCC(=O)O 1P007DUH [1,0,1,0,0,0|1,0,0]=3 917 B7R0.4 CNCCNC(=O)C 1P01A2SE [1,0,1,0,0,0|2,0,0]=4 918 B7R0.4 CNCCNC(=O)C 1P01AF4E [1,0,1,0,0,0|2,0,0]=4 919 B7R0.4 COCCCC(=O)C 1P00B6HE [1,0,1,0,0,0|2,0,0]=4 920 B7R0.4 COCCCC(=O)N 1P027LNZ [1,0,1,0,0,0|2,0,0]=4 921 B7R0.4 COCCCC(=O)O 1P002VN5 [1,0,1,0,0,0|1,0,0]=3 922 B7R0.4 COCCOC(=O)Cl 1P003I0T [1,0,1,0,0,0|2,0,0]=4 923 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [1,0,1,0,0,0|2,0,0]=4 924 B7R0.4 CSCCCC(=O)N 1P028VPN [1,0,1,0,0,0|2,0,0]=4 925 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,0,1,0,0,0|1,0,0]=3 926 B7R0.4 CSSCCC(=O)O 1P0018IF [1,0,1,0,0,0|2,0,0]=4 927 B7R0.4 C\C=C\COC(=O)C 1P005DY1 [1,0,1,0,0,0|0,0,2]=4 928 B7R0.4 ClCCCCC(=O)C 1P0007J5 [1,0,1,0,0,0|2,0,0]=4 929 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [1,0,1,0,0,0|2,0,0]=4 930 B7R0.4 ClCCCCC(=O)N 1P019Y9G [1,0,1,0,0,0|2,0,0]=4 931 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,0,1,0,0,0|1,0,0]=3 932 B7R0.4 ClCCCOC(=O)Cl 1P0037L1 [1,0,1,0,0,0|2,0,0]=4 933 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,0,1,0,0,0|2,0,0]=4 934 B7R0.4 ClCCSCC(=O)O 1P01I29B [1,0,1,0,0,0|2,0,0]=4 935 B7R0.4 FCCCCC(=O)[O-] 1P02875F [1,0,1,0,0,0|1,0,1]=4 936 B7R0.4 FCCCOC(=O)Cl 1P01C2QS [1,0,1,0,0,0|2,0,0]=4 937 B7R0.4 FCCOCC(=O)O 1P028UIA [1,0,1,0,0,0|2,0,0]=4 938 B7R0.4 ICCCCC(=O)O 1P027L56 [1,0,1,0,0,0|1,0,0]=3 939 B7R0.4 N#CCCCC(=O)O 1P0076GP [1,0,1,0,0,0|1,0,1]=4 940 B7R0.4 NCCCCC(=O)N 1P01A4SH [1,0,1,0,0,0|2,0,0]=4 941 B7R0.4 NCCCCC(=O)O 1P00390H [1,0,1,0,0,0|1,0,0]=3 942 B7R0.4 NCCCCC(=O)O 1P003MVH [1,0,1,0,0,0|1,0,0]=3 943 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,0,1,0,0,0|1,0,0]=3 944 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,0,1,0,0,0|1,0,0]=3 945 B7R0.4 NCCCOC(=O)N 1P028PLU [1,0,1,0,0,0|2,0,0]=4 946 B7R0.4 NCCNCC(=O)O 1P003SPC [1,0,1,0,0,0|2,0,0]=4 947 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,0,1,0,0,0|2,0,0]=4 948 B7R0.4 NCCOCC(=O)O 1P01A76U [1,0,1,0,0,0|2,0,0]=4 949 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,0,1,0,0,0|2,0,0]=4 950 B7R0.4 NOCCCC(=O)O 1P0032I9 [1,0,1,0,0,0|2,0,0]=4 951 B7R0.4 O=C(N)CCNCC 1P01KEQK [1,0,1,0,0,0|2,0,0]=4 952 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [1,0,1,0,0,0|1,0,1]=4 953 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,0,1,0,0,0|2,0,0]=4 954 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,0,1,0,0,0|2,0,0]=4 955 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,0,1,0,0,0|1,0,1]=4 956 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,0,1,0,0,0|1,0,1]=4 957 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,0,1,0,0,0|2,0,0]=4 958 B7R0.4 OCCOCC(=O)O 1P0080QG [1,0,1,0,0,0|2,0,0]=4 959 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,0,1,0,0,0|1,0,0]=3 960 B7R0.12 CCC(CC=C)CC 1P001XUT [1,0,1,0,0,0|2,0,0]=4 961 B7R0.12 CCC(CC=O)CC 1P01A0Z1 [1,0,1,0,0,0|1,0,0]=3 962 B7R0.12 CCC(N=C=O)CC 1P00744O [1,0,1,0,0,0|1,0,1]=4 963 B7R0.12 CCCC(C=O)CC 1P00BGAL [1,0,1,0,0,0|0,0,0]=2 964 B7R0.12 CCCC(C=O)OC 1P01ANSK [1,0,1,0,0,0|1,0,0]=3 965 B7R0.12 CCCC(CBr)CC 1P01BL6A [1,0,1,0,0,0|1,0,1]=4 966 B7R0.12 CCCC(CC)CC 1P00ECQ9 [1,0,1,0,0,0|1,0,1]=4 967 B7R0.12 CCCC(OC)CN 1P01ANP8 [1,0,1,0,0,0|1,0,1]=4 968 B7R0.12 CCCC(OC)CO 1P01ANRS [1,0,1,0,0,0|1,0,1]=4 969 B7R0.12 CCCC(OC)CS 1P0290A7 [1,0,1,0,0,0|1,0,1]=4 970 B7R0.12 CCCC(OC)OC 1P003DPA [1,0,1,0,0,0|1,0,1]=4 971 B7R0.12 CCCN(N=O)CC 1P00BDS0 [1,0,1,0,0,0|2,0,0]=4 972 B7R0.12 CNCC(OC)CC 1P028R7V [1,0,1,0,0,0|1,0,1]=4 973 B7R1.1 BrCC1CCC=C1 1P00AXJ6 [2,0,0,0,0,0|2,0,0]=4 974 B7R1.1 BrCC1CCCO1 1P000ITE [2,0,0,0,0,0|1,0,1]=4 975 B7R1.1 BrC[C@@H]1CCCO1 1P01IM3G [2,0,0,0,0,0|1,0,1]=4 976 B7R1.1 BrC[C@H]1CCCO1 1P00IUP9 [2,0,0,0,0,0|1,0,1]=4 977 B7R1.1 CCC1CCCC1 1P003QYP [2,0,0,0,0,0|1,0,1]=4 978 B7R1.1 CCC1CCCN1 1P01AHO8 [2,0,0,0,0,0|1,0,1]=4 979 B7R1.1 CCC1CNCC1 1P005S3B [2,0,0,0,0,0|2,0,0]=4 980 B7R1.1 CCC1CNCC1 1P019ZNZ [2,0,0,0,0,0|2,0,0]=4 981 B7R1.1 CCC1NCC=C1 1P008W14 [2,0,0,0,0,0|2,0,0]=4 982 B7R1.1 CCC1NCC=C1 1P00J2F3 [2,0,0,0,0,0|2,0,0]=4 983 B7R1.1 CC[C@@H]1CCCN1 1P00DIBN [2,0,0,0,0,0|1,0,1]=4 984 B7R1.1 CC[C@@H]1CNCC1 1P002NX8 [2,0,0,0,0,0|2,0,0]=4 985 B7R1.1 CC[C@H]1CCCN1 1P00EM15 [2,0,0,0,0,0|1,0,1]=4 986 B7R1.1 CC[C@H]1CNCC1 1P002NX9 [2,0,0,0,0,0|2,0,0]=4 987 B7R1.1 COC1CCCO1 1P003AIB [2,0,0,0,0,0|1,0,1]=4 988 B7R1.1 ClCC1CCCO1 1P003V5P [2,0,0,0,0,0|1,0,1]=4 989 B7R1.1 ICC1CCCO1 1P00EBHK [2,0,0,0,0,0|1,0,1]=4 990 B7R1.1 NCC1CCCO1 1P003IEL [2,0,0,0,0,0|1,0,1]=4 991 B7R1.1 NCC1CCCO1 1P01B53G [2,0,0,0,0,0|1,0,1]=4 992 B7R1.1 NC[C@@H]1CCCO1 1P003CYT [2,0,0,0,0,0|1,0,1]=4 993 B7R1.1 NC[C@@H]1CCCO1 1P00C31K [2,0,0,0,0,0|1,0,1]=4 994 B7R1.1 NC[C@H]1CCCO1 1P01APNK [2,0,0,0,0,0|1,0,1]=4 995 B7R1.1 OCC1CCC=C1 1P0012O5 [2,0,0,0,0,0|2,0,0]=4 996 B7R1.1 OCC1CCCO1 1P003V5N [2,0,0,0,0,0|1,0,1]=4 997 B7R1.1 OC[C@@H]1CCCO1 1P0036G1 [2,0,0,0,0,0|1,0,1]=4 998 B7R1.1 OC[C@H]1CCCO1 1P0032UH [2,0,0,0,0,0|1,0,1]=4 999 B7R1.1 SC[C@H]1CCCO1 1P028TPO [2,0,0,0,0,0|1,0,1]=4 1000 B7R1.2 C=C1CCC(=O)O1 1P0001BH [2,0,0,0,0,0|0,0,2]=4 1001 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [2,0,0,0,0,0|1,0,1]=4 1002 B7R1.2 CC1=CCC(=O)O1 1P001512 [2,0,0,0,0,0|0,0,2]=4 1003 B7R1.2 CC1C=CC(=O)O1 1P0034RE [2,0,0,0,0,0|0,0,2]=4 1004 B7R1.2 CC1CC(=O)CN1 1P021X75 [2,0,0,0,0,0|2,0,0]=4 1005 B7R1.2 CC1CC(=O)CS1 1P019UCN [2,0,0,0,0,0|2,0,0]=4 1006 B7R1.2 CC1CC(=O)NC1 1P0039AR [2,0,0,0,0,0|2,0,0]=4 1007 B7R1.2 CC1CC(=O)OC1 1P00ARBT [2,0,0,0,0,0|2,0,0]=4 1008 B7R1.2 CC1CCC(=O)C1 1P0021LM [2,0,0,0,0,0|1,0,0]=3 1009 B7R1.2 CC1CCC(=O)N1 1P0034RL [2,0,0,0,0,0|1,0,0]=3 1010 B7R1.2 CC1CCC(=O)O1 1P0035FE [2,0,0,0,0,0|0,0,0]=2 1011 B7R1.2 CC1CCC(O1)C 1P0001ZC [2,0,0,0,0,0|1,0,1]=4 1012 B7R1.2 CC1CN=C(O1)N 1P00G05Q [2,0,0,0,0,0|2,0,0]=4 1013 B7R1.2 CC1CNC(=O)O1 1P007BAB [2,0,0,0,0,0|1,0,0]=3 1014 B7R1.2 CC1COC(=O)N1 1P001SNQ [2,0,0,0,0,0|2,0,0]=4 1015 B7R1.2 CC1COC(=O)O1 1P0035ZW [2,0,0,0,0,0|1,0,0]=3 1016 B7R1.2 CC1COS(=O)O1 1P001EW7 [2,0,0,0,0,0|2,0,0]=4 1017 B7R1.2 CN1CCC(=O)C1 1P00G7GN [2,0,0,0,0,0|2,0,0]=4 1018 B7R1.2 CN1CCC(=O)C1 1P00IC9G [2,0,0,0,0,0|2,0,0]=4 1019 B7R1.2 CN1CCC(=O)N1 1P0007PB [2,0,0,0,0,0|2,0,0]=4 1020 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [2,0,0,0,0,0|2,0,0]=4 1021 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [2,0,0,0,0,0|2,0,0]=4 1022 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [2,0,0,0,0,0|2,0,0]=4 1023 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [2,0,0,0,0,0|1,0,0]=3 1024 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [2,0,0,0,0,0|1,0,0]=3 1025 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [2,0,0,0,0,0|0,0,0]=2 1026 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [2,0,0,0,0,0|1,0,0]=3 1027 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [2,0,0,0,0,0|2,0,0]=4 1028 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [2,0,0,0,0,0|1,0,0]=3 1029 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [2,0,0,0,0,0|2,0,0]=4 1030 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [2,0,0,0,0,0|2,0,0]=4 1031 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [2,0,0,0,0,0|2,0,0]=4 1032 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [2,0,0,0,0,0|1,0,0]=3 1033 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [2,0,0,0,0,0|1,0,0]=3 1034 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [2,0,0,0,0,0|0,0,0]=2 1035 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [2,0,0,0,0,0|2,0,0]=4 1036 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [2,0,0,0,0,0|1,0,0]=3 1037 B7R1.2 ClC1COC(=O)O1 1P003PAC [2,0,0,0,0,0|2,0,0]=4 1038 B7R1.2 FC1COC(=O)O1 1P000BSD [2,0,0,0,0,0|2,0,0]=4 1039 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [2,0,0,0,0,0|0,0,2]=4 1040 B7R1.2 O=C1CCC(=O)O1 1P003636 [2,0,0,0,0,0|1,0,1]=4 1041 B7R1.2 O=C1CN=C(O1)C 1P002OPR [2,0,0,0,0,0|1,0,1]=4 1042 B7R1.2 OC1CCC(=O)C1 1P0038LJ [2,0,0,0,0,0|2,0,0]=4 1043 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [2,0,0,0,0,0|1,0,0]=3 1044 B9R0.4 C=CCCC(CC(O)C)C 1P01B304 [0,1,1,0,0,0|2,0,0]=4 1045 B9R0.5 CCCCCC(CCC)O 1P003MDW [0,1,1,0,0,0|1,0,1]=4 1046 B9R0.18 CCCCC(CCCC)O 1P003NE9 [0,1,1,0,0,0|1,0,1]=4 1047 B9R0.34 CN(N=O)CC(CCC)O 1P0292K3 [0,1,1,0,0,0|2,0,0]=4 1048 B9R0.35 CCC[C@H]([C@H](CCC)O)O 1P02896F [0,1,1,0,0,0|1,0,1]=4 1049 B9R0.48 CC(CCC)COC(=O)Cl 1P01E4FP [0,1,1,0,0,0|2,0,0]=4 1050 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,1,1,0,0,0|2,0,0]=4 1051 B9R0.48 CCCC(=O)CCC(=O)C 1P00399S [0,1,1,0,0,0|0,0,2]=4 1052 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [0,1,1,0,0,0|0,0,2]=4 1053 B9R0.48 CCCN(CCC(=O)O)C 1P01ABCF [0,1,1,0,0,0|2,0,0]=4 1054 B9R0.48 OCCC(CCC(=O)[O-])C 1P0283LP [0,1,1,0,0,0|2,0,0]=4 1055 B9R0.6 CC(C(C(=O)O)N)CCC 1P00EBTL [0,1,1,0,0,0|2,0,0]=4 1056 B9R0.6 CC(C(C(=O)O)N)CCC 1P0293HN [0,1,1,0,0,0|2,0,0]=4 1057 B9R0.6 CNCC(N(C(=O)C)C)C 1P028AL0 [0,1,1,0,0,0|2,0,0]=4 1058 B9R0.14 CCCC(CC(=O)O)CC 1P00C0N9 [0,1,1,0,0,0|2,0,0]=4 1059 B9R0.14 CCCC(OC(=O)Cl)CC 1P00EMFK [0,1,1,0,0,0|1,0,0]=3 1060 B9R0.23 COC(=O)C(OC(=O)C)C 1P00F3XV [0,1,1,0,0,0|1,0,1]=4 1061 B9R0.23 COC(=O)[C@@H](OC(=O)C)C 1P001CPD [0,1,1,0,0,0|1,0,1]=4 1062 B9R0.44 COCC(OS(=O)(=O)C)C 1P01A72V [0,1,1,0,0,0|2,0,0]=4 1063 B9R0.53 CC(=O)NC(OC(C)C)C 1P000HKE [0,1,1,0,0,0|2,0,0]=4 1064 B9R0.53 CC(CC(CC(=O)C)C)C 1P003832 [0,1,1,0,0,0|1,0,0]=3 1065 B9R0.53 CC(CC(CC(=O)O)C)C 1P00EG1D [0,1,1,0,0,0|2,0,0]=4 1066 B9R0.53 CC(OC(=O)C)OC(=O)C 1P00DANR [0,1,1,0,0,0|1,0,1]=4 1067 B9R0.53 CC(OC(=O)Cl)CC(C)C 1P004QZ9 [0,1,1,0,0,0|1,0,0]=3 1068 B9R0.58 CCCC(CC(=O)O)(C)C 1P006AU5 [0,1,1,0,0,0|2,0,0]=4 1069 B9R0.58 CCCC(CC(=O)O)(O)C 1P00347T [0,1,1,0,0,0|2,0,0]=4 1070 B9R0.1 C=CC(=O)OCCC(C)C 1P003O5G [0,1,1,0,0,0|0,0,2]=4 1071 B9R0.1 CCC(=O)CCCC(C)C 1P00E8YX [0,1,1,0,0,0|1,0,0]=3 1072 B9R0.1 CCC(=O)OCCC(C)C 1P003RIZ [0,1,1,0,0,0|0,0,0]=2 1073 B9R0.1 CCC(=O)OCCN(C)C 1P002VOH [0,1,1,0,0,0|1,0,0]=3 1074 B9R0.1 COC(=O)CCCC(Br)C 1P021RUB [0,1,1,0,0,0|2,0,0]=4 1075 B9R0.1 OCC(=O)OCCN(C)C 1P028SZW [0,1,1,0,0,0|2,0,0]=4 1076 B9R0.20 CCCCOS(=O)(=O)CC 1P007ZWV [0,1,1,0,0,0|1,0,0]=3 1077 B9R0.24 CCC(=O)CCC(=O)CC 1P002Z6N [0,1,1,0,0,0|1,0,1]=4 1078 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.24 OCC(COC(=O)CS)O 1P00315H [0,1,1,0,0,0|2,0,0]=4 1080 B9R0.46 BrCCCCCC(=O)OC 1P0035OX [0,1,1,0,0,0|2,0,0]=4 1081 B9R0.46 BrCCCOCC(=O)OC 1P01DF0P [0,1,1,0,0,0|2,0,0]=4 1082 B9R0.46 CCCCCCC(=O)CBr 1P007N76 [0,1,1,0,0,0|2,0,0]=4 1083 B9R0.46 CCCCCCC(=O)CC 1P003TQS [0,1,1,0,0,0|1,0,0]=3 1084 B9R0.46 CCCCCCC(=O)OC 1P003SH2 [0,1,1,0,0,0|2,0,0]=4 1085 B9R0.46 CCCCCNC(=O)CCl 1P00CJRK [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.46 CCNCCCC(=O)OC 1P00I3RR [0,1,1,0,0,0|2,0,0]=4 1087 B9R0.46 CCNCCOC(=O)C=C 1P0282QJ [0,1,1,0,0,0|0,0,2]=4 1088 B9R0.46 CCOCCNC(=O)CBr 1P019ZCM [0,1,1,0,0,0|2,0,0]=4 1089 B9R0.46 CCOCCNC(=O)CCl 1P01EVDD [0,1,1,0,0,0|2,0,0]=4 1090 B9R0.46 CCOCCOC(=O)C=C 1P003HN4 [0,1,1,0,0,0|0,0,2]=4 1091 B9R0.46 CCOCCOC(=O)CCl 1P00ETR1 [0,1,1,0,0,0|1,0,0]=3 1092 B9R0.46 CNCCCCC(=O)NC 1P027Z35 [0,1,1,0,0,0|2,0,0]=4 1093 B9R0.46 CNCCCCC(=O)OC 1P01BUQ7 [0,1,1,0,0,0|2,0,0]=4 1094 B9R0.46 CNCCOCC(=O)NC 1P01AL7N [0,1,1,0,0,0|2,0,0]=4 1095 B9R0.46 COC(=O)OCCCCO 1P0293HH [0,1,1,0,0,0|1,0,0]=3 1096 B9R0.46 COCCCNC(=O)CCl 1P00AQ8I [0,1,1,0,0,0|2,0,0]=4 1097 B9R0.46 COCCOCC(=O)OC 1P01SHN6 [0,1,1,0,0,0|2,0,0]=4 1098 B9R0.46 CSCCCNC(=O)NC 1P028X2Y [0,1,1,0,0,0|2,0,0]=4 1099 B9R0.46 CSCCCNC(=O)OC 1P028VXI [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.46 ClCCCCCC(=O)CCl 1P01HYHL [0,1,1,0,0,0|2,0,0]=4 1101 B9R0.46 NCCCCCC(=O)OC 1P002GL6 [0,1,1,0,0,0|2,0,0]=4 1102 B9R0.46 NCCCCNC(=O)CBr 1P01BXXS [0,1,1,0,0,0|2,0,0]=4 1103 B9R0.46 NCCCCNC(=O)CCl 1P01A2ZS [0,1,1,0,0,0|2,0,0]=4 1104 B9R0.46 OCCCCCC(=O)OC 1P00I8Z9 [0,1,1,0,0,0|2,0,0]=4 1105 B9R0.46 OCCCCOC(=O)C=C 1P002PVQ [0,1,1,0,0,0|0,0,2]=4 1106 B9R0.46 OCCCOCC(=O)OC 1P01JM3Y [0,1,1,0,0,0|2,0,0]=4 1107 B9R0.46 SCCCCCC(=O)OC 1P002JLK [0,1,1,0,0,0|2,0,0]=4 1108 B9R0.47 CC(=C)C(=O)OCCCO 1P002UOR [0,1,1,0,0,0|1,0,1]=4 1109 B9R0.47 CC(C(=O)OCCC=C)O 1P005E3M [0,1,1,0,0,0|0,0,2]=4 1110 B9R0.47 CC(C(=O)OCCCCl)O 1P01B8BQ [0,1,1,0,0,0|1,0,0]=3 1111 B9R0.47 CCCCCC(=O)N(C)C 1P003T1W [0,1,1,0,0,0|2,0,0]=4 1112 B9R0.47 CCCCNC(=O)C(=C)C 1P00BGYT [0,1,1,0,0,0|1,0,1]=4 1113 B9R0.47 CCCCNC(=O)C(Cl)C 1P019L63 [0,1,1,0,0,0|1,0,0]=3 1114 B9R0.47 CCCCOC(=O)C(=C)F 1P0001GA [0,1,1,0,0,0|0,0,2]=4 1115 B9R0.47 CCCCOC(=O)C(=O)N 1P003TZ8 [0,1,1,0,0,0|1,0,1]=4 1116 B9R0.47 CCCCOC(=O)C(Br)C 1P003H9K [0,1,1,0,0,0|0,0,0]=2 1117 B9R0.47 CCCCOC(=O)C(Cl)C 1P00DSO2 [0,1,1,0,0,0|0,0,0]=2 1118 B9R0.47 CCCCOC(=O)C(O)C 1P0018A3 [0,1,1,0,0,0|0,0,0]=2 1119 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P002XAH [0,1,1,0,0,0|0,0,0]=2 1120 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P00GAGB [0,1,1,0,0,0|0,0,0]=2 1121 B9R0.47 CNCCNC(=O)C(C)C 1P01A3XP [0,1,1,0,0,0|2,0,0]=4 1122 B9R0.47 COCCNC(=O)C(Cl)C 1P019PUH [0,1,1,0,0,0|2,0,0]=4 1123 B9R0.47 COCCNC(=O)C(O)C 1P01B8BG [0,1,1,0,0,0|2,0,0]=4 1124 B9R0.47 COCCOC(=O)C(=C)C 1P006826 [0,1,1,0,0,0|1,0,1]=4 1125 B9R0.47 CSCCOC(=O)C(=C)C 1P003FK9 [0,1,1,0,0,0|1,0,1]=4 1126 B9R0.47 NCCCNC(=O)C(C)C 1P01A38A [0,1,1,0,0,0|2,0,0]=4 1127 B9R0.47 NCCCOC(=O)N(C)C 1P028MG6 [0,1,1,0,0,0|2,0,0]=4 1128 B9R0.47 [O-]C(=O)C(=O)OCCCC 1P0014UE [0,1,1,0,0,0|1,0,1]=4 1129 B9R0.2 BrCCCCCCB(O)O 1P001LH1 [0,1,1,0,0,0|1,0,1]=4 1130 B9R0.2 BrCCCCCCC(=O)C 1P01IQK0 [0,1,1,0,0,0|1,0,0]=3 1131 B9R0.2 BrCCCCCCC(=O)O 1P0030VL [0,1,1,0,0,0|0,0,0]=2 1132 B9R0.2 BrCCCCCOC(=O)C 1P001QP0 [0,1,1,0,0,0|2,0,0]=4 1133 B9R0.2 C#CCCCCCC(=O)O 1P0086N4 [0,1,1,0,0,0|0,0,1]=3 1134 B9R0.2 C#CCCCOCC(=O)O 1P028IL8 [0,1,1,0,0,0|0,0,2]=4 1135 B9R0.2 C=CCCCCCC(=O)C 1P00E10B [0,1,1,0,0,0|1,0,1]=4 1136 B9R0.2 C=CCCCCCC(=O)O 1P003TWM [0,1,1,0,0,0|0,0,1]=3 1137 B9R0.2 C=CCOCCCC(=O)O 1P00DC0M [0,1,1,0,0,0|0,0,2]=4 1138 B9R0.2 CCCCC#CCC(=O)O 1P0202F5 [0,1,1,0,0,0|0,0,1]=3 1139 B9R0.2 CCCCCC#CC(=O)O 1P003IAH [0,1,1,0,0,0|0,0,1]=3 1140 B9R0.2 CCCCCCCB(O)O 1P00BEA2 [0,1,1,0,0,0|1,0,1]=4 1141 B9R0.2 CCCCCCCC(=O)N 1P003TQ1 [0,1,1,0,0,0|1,0,0]=3 1142 B9R0.2 CCCCCCCC(=O)O 1P000LTK [0,1,1,0,0,0|0,0,0]=2 1143 B9R0.2 CCCCCCCC(=O)O 1P0084UG [0,1,1,0,0,0|0,0,0]=2 1144 B9R0.2 CCCCCCCC(=O)O 1P00C261 [0,1,1,0,0,0|0,0,0]=2 1145 B9R0.2 CCCCCCCC(=O)[O-] 1P002BYU [0,1,1,0,0,0|0,0,1]=3 1146 B9R0.2 CCCCCCCC(=S)O 1P005MUY [0,1,1,0,0,0|0,1,0]=3 1147 B9R0.2 CCCCCCCC(O)C 1P003TQR [0,1,1,0,0,0|1,0,1]=4 1148 B9R0.2 CCCCCCC[13C](=O)O 1P00EB19 [0,1,1,0,0,0|0,0,0]=2 1149 B9R0.2 CCCCCCNC(=S)N 1P002LE1 [0,1,1,0,0,0|1,1,0]=4 1150 B9R0.2 CCCCCCOC(=O)C 1P001HZT [0,1,1,0,0,0|1,0,0]=3 1151 B9R0.2 CCCCCCOC(=O)Cl 1P003RDX [0,1,1,0,0,0|1,0,0]=3 1152 B9R0.2 CCCCCCOC(=O)N 1P002LSP [0,1,1,0,0,0|1,0,0]=3 1153 B9R0.2 CCCCCOCC(=O)O 1P01A8CF [0,1,1,0,0,0|0,0,0]=2 1154 B9R0.2 CCCCC\C=C\C(=O)C 1P00348G [0,1,1,0,0,0|1,0,1]=4 1155 B9R0.2 CCCCC\C=C\C(=O)O 1P003VDD [0,1,1,0,0,0|0,0,1]=3 1156 B9R0.2 CCCCOCCC(=O)O 1P00FNFX [0,1,1,0,0,0|0,0,0]=2 1157 B9R0.2 CCCCSCCC(=O)O 1P00C2MV [0,1,1,0,0,0|0,0,0]=2 1158 B9R0.2 CCCOCCCC(=O)O 1P028OX8 [0,1,1,0,0,0|0,0,0]=2 1159 B9R0.2 CCCOCCOC(=O)Cl 1P01AM09 [0,1,1,0,0,0|2,0,0]=4 1160 B9R0.2 CCC\C=C/CCC(=O)O 1P007SQR [0,1,1,0,0,0|0,0,1]=3 1161 B9R0.2 CCNCCCCC(=O)O 1P01BKR1 [0,1,1,0,0,0|0,0,0]=2 1162 B9R0.2 CCOCCCCC(=O)O 1P024HT6 [0,1,1,0,0,0|0,0,0]=2 1163 B9R0.2 CCOCCCNC(=O)N 1P019PIL [0,1,1,0,0,0|2,0,0]=4 1164 B9R0.2 CCOCCOCC(=O)O 1P0053WB [0,1,1,0,0,0|1,0,0]=3 1165 B9R0.2 CNCCCCCC(=O)O 1P0016VD [0,1,1,0,0,0|0,0,0]=2 1166 B9R0.2 COCCCCCC(=O)O 1P00C9GI [0,1,1,0,0,0|0,0,0]=2 1167 B9R0.2 COCCCCOC(=O)C 1P001N77 [0,1,1,0,0,0|2,0,0]=4 1168 B9R0.2 COCCNCCC(=O)O 1P01AH75 [0,1,1,0,0,0|1,0,0]=3 1169 B9R0.2 COCCNCCC(=O)O 1P028TR2 [0,1,1,0,0,0|1,0,0]=3 1170 B9R0.2 COCCOCCC(=O)O 1P001MAZ [0,1,1,0,0,0|1,0,0]=3 1171 B9R0.2 CSCCCCCC(=O)O 1P01IG8G [0,1,1,0,0,0|0,0,0]=2 1172 B9R0.2 C\C=C\CCCCC(=O)O 1P00LTUI [0,1,1,0,0,0|0,0,1]=3 1173 B9R0.2 ClCCCCCNC(=O)C 1P01BJF9 [0,1,1,0,0,0|2,0,0]=4 1174 B9R0.2 ClCCCCCOC(=O)C 1P0029ON [0,1,1,0,0,0|2,0,0]=4 1175 B9R0.2 ClCCCSCCC(=O)O 1P01BH4X [0,1,1,0,0,0|1,0,0]=3 1176 B9R0.2 N#CCCCCCC(=O)O 1P01BBNY [0,1,1,0,0,0|0,0,1]=3 1177 B9R0.2 NCCCCCCC(=O)C 1P01C3V1 [0,1,1,0,0,0|1,0,0]=3 1178 B9R0.2 NCCCCCCC(=O)O 1P003NTK [0,1,1,0,0,0|0,0,0]=2 1179 B9R0.2 NCCCCCCC(=O)O 1P003NTM [0,1,1,0,0,0|0,0,0]=2 1180 B9R0.2 NCCCCCNC(=O)C 1P003SM2 [0,1,1,0,0,0|2,0,0]=4 1181 B9R0.2 NCCCCCNC(=O)C 1P009SKF [0,1,1,0,0,0|2,0,0]=4 1182 B9R0.2 NCCCCNCC(=O)C 1P028TKH [0,1,1,0,0,0|2,0,0]=4 1183 B9R0.2 NCCCC\C=C\C(=O)O 1P028PA8 [0,1,1,0,0,0|0,0,2]=4 1184 B9R0.2 NCCCOCCC(=O)O 1P027U5J [0,1,1,0,0,0|1,0,0]=3 1185 B9R0.2 NCCSSCCC(=O)O 1P001ONP [0,1,1,0,0,0|2,0,0]=4 1186 B9R0.2 NOCCCCCC(=O)O 1P01A44Q [0,1,1,0,0,0|1,0,0]=3 1187 B9R0.2 OCCCCCCC(=O)N 1P01QB8W [0,1,1,0,0,0|1,0,0]=3 1188 B9R0.2 OCCCCCCC(=O)O 1P0034V2 [0,1,1,0,0,0|0,0,0]=2 1189 B9R0.2 OCCCCNCC(=O)O 1P00I01L [0,1,1,0,0,0|1,0,0]=3 1190 B9R0.2 OCCCNCCC(=O)O 1P0284KH [0,1,1,0,0,0|1,0,0]=3 1191 B9R0.2 OCCCOCCC(=O)[O-] 1P0286BT [0,1,1,0,0,0|1,0,1]=4 1192 B9R0.2 OCCNCCCC(=O)O 1P01DXNP [0,1,1,0,0,0|1,0,0]=3 1193 B9R0.2 OCCOCCCC(=O)[O-] 1P027VOZ [0,1,1,0,0,0|1,0,1]=4 1194 B9R0.2 S=C=NCCCCC(=O)O 1P01DTRU [0,1,1,0,0,0|1,0,1]=4 1195 B9R0.2 SCCCCCCC(=O)O 1P00E2S1 [0,1,1,0,0,0|0,0,0]=2 1196 B9R0.2 [N-]=[N+]=NCCCCC(=O)O 1P003MVK [0,1,1,0,0,0|2,0,0]=4 1197 B9R0.38 CCCCCCC(O)(C)C 1P00E9PI [0,1,1,0,0,0|1,0,1]=4 1198 B9R0.38 CCCCCCP(=O)(O)O 1P00DEHH [0,1,1,0,0,0|1,0,0]=3 1199 B9R0.38 CCCCCCS(=O)(=O)Cl 1P001LA0 [0,1,1,0,0,0|1,0,1]=4 1200 B9R0.38 CCCCCCS(=O)(=O)N 1P00CXGP [0,1,1,0,0,0|1,0,1]=4 1201 B9R0.38 CCCCCCS(=O)(=O)O 1P0072KI [0,1,1,0,0,0|1,0,0]=3 1202 B9R0.38 CCCCCCS(=O)(=O)[O-] 1P002JEV [0,1,1,0,0,0|1,0,1]=4 1203 B9R0.38 CCCCCCS(=O)(=O)[O-] 1P003UR2 [0,1,1,0,0,0|1,0,1]=4 1204 B9R0.38 NCCCCCS(=O)(=O)O 1P003825 [0,1,1,0,0,0|2,0,0]=4 1205 B9R0.55 CC(=O)CCCCC(=O)C 1P001TQG [0,1,1,0,0,0|1,0,1]=4 1206 B9R0.55 CC(=O)CCCCC(=O)O 1P0034N3 [0,1,1,0,0,0|0,0,1]=3 1207 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,1,1,0,0,0|0,0,0]=2 1208 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,1,1,0,0,0|0,0,0]=2 1209 B9R0.55 CC(CCCCC(=O)[O-])O 1P0286L6 [0,1,1,0,0,0|0,0,1]=3 1210 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,1,1,0,0,0|1,0,0]=3 1211 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,1,1,0,0,0|1,0,0]=3 1212 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [0,1,1,0,0,0|0,0,2]=4 1213 B9R0.55 CC(CNCCC(=O)O)C 1P019VWL [0,1,1,0,0,0|1,0,0]=3 1214 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [0,1,1,0,0,0|1,0,0]=3 1215 B9R0.55 CC(CSCCC(=O)O)C 1P00BV6K [0,1,1,0,0,0|1,0,0]=3 1216 B9R0.55 CC(NCCCC(=O)O)C 1P019L2M [0,1,1,0,0,0|1,0,0]=3 1217 B9R0.55 CC(\C=C\CCC(=O)O)C 1P028OBZ [0,1,1,0,0,0|0,0,2]=4 1218 B9R0.55 CN(CCCCC(=O)C)C 1P01A66E [0,1,1,0,0,0|2,0,0]=4 1219 B9R0.55 CN(CCCCC(=O)O)C 1P003MO1 [0,1,1,0,0,0|1,0,0]=3 1220 B9R0.55 CN(CCCCC(=O)O)C 1P00IGBJ [0,1,1,0,0,0|1,0,0]=3 1221 B9R0.55 CN(CCNCC(=O)O)C 1P006XOB [0,1,1,0,0,0|2,0,0]=4 1222 B9R0.55 CN(CCOCC(=O)O)C 1P01DXED [0,1,1,0,0,0|2,0,0]=4 1223 B9R0.55 CN(CCSCC(=O)O)C 1P01E2GY [0,1,1,0,0,0|2,0,0]=4 1224 B9R0.55 FC(CCCCC(=O)O)F 1P020JIP [0,1,1,0,0,0|1,0,0]=3 1225 B9R0.55 FC(COCCC(=O)O)F 1P019ZKN [0,1,1,0,0,0|2,0,0]=4 1226 B9R0.55 NC(=O)CCCCC(=O)O 1P00CBIY [0,1,1,0,0,0|1,0,1]=4 1227 B9R0.55 OC(=O)CCCCC(=O)O 1P000LTN [0,1,1,0,0,0|1,0,1]=4 1228 B9R0.55 OC(=O)CCCCC(=O)O 1P001HZW [0,1,1,0,0,0|1,0,1]=4 1229 B9R0.55 OC(=O)CCCCC(=O)O 1P005FLC [0,1,1,0,0,0|1,0,1]=4 1230 B9R0.55 OC(=O)CCCCC(=O)O 1P00BC8M [0,1,1,0,0,0|1,0,1]=4 1231 B9R0.55 OC(=O)CCCCC(=O)O 1P00I3A9 [0,1,1,0,0,0|1,0,1]=4 1232 B9R0.55 OC(=O)CCCNC(=O)C 1P002ZTN [0,1,1,0,0,0|1,0,1]=4 1233 B9R0.55 OC(=O)CCCOC(=O)C 1P01DZQ9 [0,1,1,0,0,0|1,0,1]=4 1234 B9R0.55 OC(=O)CCCOC(C)C 1P01A6TS [0,1,1,0,0,0|1,0,0]=3 1235 B9R0.55 OC(=O)CCCSC(=O)C 1P0004X8 [0,1,1,0,0,0|1,0,1]=4 1236 B9R0.55 O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O 1P01CBY6 [0,1,1,0,0,0|1,0,1]=4 1237 B9R0.17 CCCC(OCC)OCC 1P00BYA7 [0,1,1,0,0,0|1,0,1]=4 1238 B9R1.21 CC[C@@H]1CC[C@@H](O1)CN 1P028VL1 [1,1,0,0,0,0|1,0,1]=4 1239 B9R1.22 BrC[C@H]1OC(=O)C[C@@H]1O 1P028PTD [1,1,0,0,0,0|1,0,0]=3 1240 B9R1.22 OC[C@H]1OC(=O)C[C@@H]1O 1P00C16R [1,1,0,0,0,0|1,0,0]=3 1241 B9R1.23 CCC1CC(C(=O)O1)Br 1P0289JO [1,1,0,0,0,0|0,0,0]=2 1242 B9R1.23 CCC1NC(=O)C(C1)C 1P019TH7 [1,1,0,0,0,0|1,0,0]=3 1243 B9R1.23 CCN1CC(=O)C(C1)C 1P019ZJ2 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.23 CN1CC(OC1=O)CBr 1P01AMKS [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.23 CN1CC(OC1=O)CN 1P01A5HP [1,1,0,0,0,0|2,0,0]=4 1246 B9R1.23 CN1CC(OC1=O)CO 1P01BAB9 [1,1,0,0,0,0|2,0,0]=4 1247 B9R1.23 CN1C[C@@H](OC1=O)CO 1P01KKT2 [1,1,0,0,0,0|2,0,0]=4 1248 B9R1.23 CN1C[C@H](OC1=O)CN 1P01BVF0 [1,1,0,0,0,0|2,0,0]=4 1249 B9R1.23 C[C@@H]1C[C@@H](NC1=O)CO 1P028O09 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.23 C[C@H]1C[C@@H](NC1=O)CO 1P028NU2 [1,1,0,0,0,0|2,0,0]=4 1251 B9R1.23 ICC1CC(=C)C(=O)O1 1P028XEJ [1,1,0,0,0,0|1,0,1]=4 1252 B9R1.23 N[C@@H]1C[C@@H](NC1=O)CO 1P028G1C [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.23 N[C@@H]1C[C@H](NC1=O)CO 1P0287XM [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.23 N[C@H]1C[C@@H](NC1=O)CO 1P028YRV [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.23 N[C@H]1C[C@H](NC1=O)CO 1P0206AR [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.23 OC[C@@H]1C[C@H](C(=O)N1)F 1P028721 [1,1,0,0,0,0|2,0,0]=4 1257 B9R1.23 OC[C@@H]1OC(=O)[C@@H](C1)O 1P027X1N [1,1,0,0,0,0|1,0,0]=3 1258 B9R1.35 CC(C1CCC(=O)N1)C 1P01AG7B [1,1,0,0,0,0|1,0,0]=3 1259 B9R1.35 CC(C1CCC(=O)O1)O 1P00CEV5 [1,1,0,0,0,0|0,0,0]=2 1260 B9R1.35 CC(C1CNC(=O)N1)C 1P0286PT [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.35 CC(C1CNC(=O)O1)C 1P018SIK [1,1,0,0,0,0|1,0,0]=3 1262 B9R1.35 CC(C1COC(=O)N1)C 1P018SII [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.35 CC(C1SCC(=O)C1)C 1P01BE0E [1,1,0,0,0,0|2,0,0]=4 1264 B9R1.35 CC([C@@H]1CCC(=O)N1)C 1P001BQO [1,1,0,0,0,0|1,0,0]=3 1265 B9R1.35 CC([C@@H]1COC(=O)N1)C 1P003CDG [1,1,0,0,0,0|2,0,0]=4 1266 B9R1.35 CC([C@H]1COC(=O)N1)C 1P003CDP [1,1,0,0,0,0|2,0,0]=4 1267 B9R1.35 FC([C@@H]1CCC(=O)N1)F 1P019RVA [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.35 FC([C@H]1CCC(=O)N1)F 1P028AQU [1,1,0,0,0,0|2,0,0]=4 1269 B9R1.35 O=C1CCC(C1)C(C)C 1P0090HJ [1,1,0,0,0,0|1,0,0]=3 1270 B9R1.35 O=C1CCC(C1)C(F)F 1P01DUYH [1,1,0,0,0,0|2,0,0]=4 1271 B9R1.35 O=C1CCC(O1)C(=O)C 1P002YPU [1,1,0,0,0,0|0,0,1]=3 1272 B9R1.35 O=C1CCC(O1)C(=O)O 1P00DC1X [1,1,0,0,0,0|1,0,1]=4 1273 B9R1.35 O=C1CCN(C1)C(C)C 1P00J3EI [1,1,0,0,0,0|2,0,0]=4 1274 B9R1.35 O=C1CCN(C1)C(C)C 1P019YDV [1,1,0,0,0,0|2,0,0]=4 1275 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl 1P00DWRE [1,1,0,0,0,0|1,0,1]=4 1276 B9R1.35 O=C1CC[C@@H](O1)C(=O)O 1P0032VY [1,1,0,0,0,0|1,0,1]=4 1277 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl 1P00DHJR [1,1,0,0,0,0|1,0,1]=4 1278 B9R1.35 O=C1CC[C@H](O1)C(=O)O 1P003CY8 [1,1,0,0,0,0|1,0,1]=4 1279 B9R1.35 O=C1NCC(C1)C(C)C 1P00K0B2 [1,1,0,0,0,0|2,0,0]=4 1280 B9R1.125 CC1(CC)CCC(=O)N1 1P028W3Z [1,1,0,0,0,0|1,0,0]=3 1281 B9R1.125 CC1(CC)CCC(=O)O1 1P00BTK5 [1,1,0,0,0,0|0,0,0]=2 1282 B9R1.125 CC1(CC)CNC(=O)S1 1P028CNP [1,1,0,0,0,0|1,1,0]=4 1283 B9R1.125 CC1(CC)CSC(=O)N1 1P0287VB [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.125 CC1(CCC(=O)O1)C=C 1P003B29 [1,1,0,0,0,0|0,0,2]=4 1285 B9R1.125 CC1(CI)CNC(=O)O1 1P01P7B7 [1,1,0,0,0,0|2,0,0]=4 1286 B9R1.125 CC1(CN)CCC(=O)N1 1P01C2U6 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.125 CC1(CN)CNC(=O)O1 1P027WKB [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.125 CC1(CO)CCC(=O)N1 1P00HDN8 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.125 CC1(CO)CNC(=O)O1 1P02236N [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.125 CCC1(C)CNC(=O)C1 1P01BC1S [1,1,0,0,0,0|2,0,0]=4 1291 B9R1.132 CCC1=C(O)C(=O)CC1 1P00I4P4 [1,1,0,0,0,0|1,0,1]=4 1292 B9R1.132 CN1C(CBr)CCC1=O 1P01FMDW [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.132 CN1C(CCC1=O)OC 1P005TAV [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.132 CN1C(CCl)CCC1=O 1P01E0MV [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.132 CN1C(CN)CCC1=O 1P00FDP2 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.132 CN1C(CO)CCC1=O 1P003AUL [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.132 CN1[C@@H](CO)CCC1=O 1P01JUJC [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.132 CN1[C@H](CN)CCC1=O 1P01XH87 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.132 CN1[C@H](CO)CCC1=O 1P01JUJO [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.132 NCC1CCC(=O)N1C 1P00J3VZ [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.132 O=C1N(C)[C@@H](CN)CC1 1P01H8I5 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.11 CCC(C1CCCC1)N 1P01C1Y4 [1,1,0,0,0,0|1,0,1]=4 1303 B9R1.11 CCC(C1CCCN1)C 1P020192 [1,1,0,0,0,0|1,0,1]=4 1304 B9R1.11 CCC(C1CCCO1)N 1P01A384 [1,1,0,0,0,0|0,0,1]=3 1305 B9R1.11 CCC(C1CNCC1)C 1P01DXU7 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.11 CCC(C1COCC1)N 1P019SN0 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.11 CCC([C@@H]1CCCN1)O 1P027YOB [1,1,0,0,0,0|1,0,1]=4 1308 B9R1.11 CCC([C@H]1CCCN1)O 1P028OGY [1,1,0,0,0,0|1,0,1]=4 1309 B9R1.11 CC[C@H](C1COCC1)O 1P01BVBQ [1,1,0,0,0,0|2,0,0]=4 1310 B9R1.11 CNC(C1CCCO1)C 1P028J2D [1,1,0,0,0,0|1,0,1]=4 1311 B9R1.11 NCC(C1CCCO1)O 1P01BVIS [1,1,0,0,0,0|1,0,1]=4 1312 B9R1.12 BrCCCC1CCCC1 1P01BL95 [1,1,0,0,0,0|1,0,1]=4 1313 B9R1.12 BrCCCC1CCCO1 1P01BL47 [1,1,0,0,0,0|0,0,1]=3 1314 B9R1.12 BrCCCC1COCC1 1P01C48U [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.12 BrCCCC1OCCO1 1P003FA6 [1,1,0,0,0,0|1,0,1]=4 1316 B9R1.12 C#CCCC1CCCO1 1P028U27 [1,1,0,0,0,0|0,0,2]=4 1317 B9R1.12 CCCCC1CCCN1 1P00J2HB [1,1,0,0,0,0|1,0,1]=4 1318 B9R1.12 CCCCC1CNCC1 1P024NS2 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.12 CCCCC1NCC=C1 1P00J2HL [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.12 CCCNC1CCCC1 1P009AID [1,1,0,0,0,0|1,0,1]=4 1321 B9R1.12 CCCNC1CCCC1 1P00C6JG [1,1,0,0,0,0|1,0,1]=4 1322 B9R1.12 CCCOC1CNCC1 1P00IIW4 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.12 CCNCC1CCCO1 1P00FDM8 [1,1,0,0,0,0|0,0,1]=3 1324 B9R1.12 CCNCC1CCCO1 1P019XF9 [1,1,0,0,0,0|0,0,1]=3 1325 B9R1.12 CCNCC1COCC1 1P019V1T [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.12 CCOCC1CCCN1 1P004794 [1,1,0,0,0,0|1,0,1]=4 1327 B9R1.12 CCOCC1CCCO1 1P003QXO [1,1,0,0,0,0|0,0,1]=3 1328 B9R1.12 CCOCC1CNCC1 1P019U4Z [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.12 CNCCC1CCCO1 1P01AG1E [1,1,0,0,0,0|0,0,1]=3 1330 B9R1.12 CNCCC1OCCO1 1P006XZQ [1,1,0,0,0,0|1,0,1]=4 1331 B9R1.12 COCCC1CCCN1 1P00II1T [1,1,0,0,0,0|1,0,1]=4 1332 B9R1.12 COCCC1CNCC1 1P01ACM2 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.12 ClCCCC1CCCC1 1P019T49 [1,1,0,0,0,0|1,0,1]=4 1334 B9R1.12 ClCCCC1OCCO1 1P003FAD [1,1,0,0,0,0|1,0,1]=4 1335 B9R1.12 ClCOCC1CCCO1 1P01DYVW [1,1,0,0,0,0|1,0,1]=4 1336 B9R1.12 ICCCC1CCCC1 1P007VU0 [1,1,0,0,0,0|1,0,1]=4 1337 B9R1.12 ICCCC1CCCO1 1P027UA3 [1,1,0,0,0,0|0,0,1]=3 1338 B9R1.12 NCCCC1CCCC1 1P00EEJI [1,1,0,0,0,0|1,0,1]=4 1339 B9R1.12 NCCCC1CCCC1 1P00ILAW [1,1,0,0,0,0|1,0,1]=4 1340 B9R1.12 NCCCC1COCC1 1P005QV6 [1,1,0,0,0,0|2,0,0]=4 1341 B9R1.12 NCCCC1COCC1 1P009135 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.12 NCCC[C@@H]1CCCO1 1P028K5H [1,1,0,0,0,0|0,0,1]=3 1343 B9R1.12 NCCC[C@H]1CCCO1 1P027YKE [1,1,0,0,0,0|0,0,1]=3 1344 B9R1.12 O=CCCC1CCCO1 1P01A7J3 [1,1,0,0,0,0|0,0,2]=4 1345 B9R1.12 OCCCC1CCCC1 1P003JTF [1,1,0,0,0,0|1,0,1]=4 1346 B9R1.12 OCCCC1CCCN1 1P008OSO [1,1,0,0,0,0|1,0,1]=4 1347 B9R1.12 OCCCC1CCCO1 1P00G5LD [1,1,0,0,0,0|0,0,1]=3 1348 B9R1.12 OCCCC1CNCC1 1P01C2L0 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.12 OCCCC1OCCO1 1P003AZ1 [1,1,0,0,0,0|1,0,1]=4 1350 B9R1.12 OCCC[C@@H]1CCCN1 1P01FIC0 [1,1,0,0,0,0|1,0,1]=4 1351 B9R1.12 OCCC[C@H]1CCCN1 1P01FIB9 [1,1,0,0,0,0|1,0,1]=4 1352 B9R1.12 SCCCC1CCCC1 1P028M2V [1,1,0,0,0,0|1,0,1]=4 1353 B9R1.13 CC(=O)CC1CCC=C1 1P008SAV [1,1,0,0,0,0|1,0,1]=4 1354 B9R1.13 CC(=O)CC1CCCO1 1P007EYH [1,1,0,0,0,0|0,0,2]=4 1355 B9R1.13 CC(CC1CCCC1)N 1P007FVO [1,1,0,0,0,0|1,0,1]=4 1356 B9R1.13 CC(CC1CCCN1)C 1P0094TE [1,1,0,0,0,0|1,0,1]=4 1357 B9R1.13 CC(CC1CCCN1)O 1P01A2LX [1,1,0,0,0,0|1,0,1]=4 1358 B9R1.13 CC(CC1CCCO1)N 1P01A9VY [1,1,0,0,0,0|0,0,1]=3 1359 B9R1.13 CC(CC1CCCO1)O 1P028ZRN [1,1,0,0,0,0|0,0,1]=3 1360 B9R1.13 CC(CC1CNCC1)C 1P00J21P [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.13 CC(CC1COCC1)Cl 1P01DWLS [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.13 CC(CC1COCC1)N 1P01A08J [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.13 CC(CC1OCCO1)Br 1P007DGV [1,1,0,0,0,0|1,0,1]=4 1364 B9R1.13 CC(CC1OCCO1)N 1P01BE3Z [1,1,0,0,0,0|1,0,1]=4 1365 B9R1.33 BrCCC1OCCC1C 1P028O8J [1,1,0,0,0,0|1,0,1]=4 1366 B9R1.33 CCCC1CCCC1=O 1P000J0L [1,1,0,0,0,0|1,0,1]=4 1367 B9R1.33 CCCC1CCNC1=O 1P027UUD [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.33 CCC[C@@H]1CNC[C@H]1O 1P0289X5 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.33 OCCC1OCCC1C 1P028OO6 [1,1,0,0,0,0|1,0,1]=4 1370 B9R1.134 CCCC1(C)CNCC1 1P0046PY [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.134 CCCC1(C)CNCC1 1P027V14 [1,1,0,0,0,0|2,0,0]=4 1372 B9R1.134 CNCC1(C)CCCO1 1P028N5T [1,1,0,0,0,0|1,0,1]=4 1373 B9R1.134 NCCC1(C)CCCO1 1P0282PR [1,1,0,0,0,0|1,0,1]=4 1374 B9R1.9 CCCCC1CC(=O)C1 1P028FK0 [0,1,0,0,1,0|1,0,0]=3 1375 B9R1.9 CCCOC1CC(=O)C1 1P0289SK [0,1,0,0,1,0|1,0,0]=3 1376 B9R1.9 COCCC1CC(=O)C1 1P01FJOE [0,1,0,0,1,0|1,0,0]=3 1377 B9R1.9 CSCCC1CC(=O)C1 1P028D5Q [0,1,0,0,1,0|1,0,0]=3 1378 B9R1.53 CC(=O)CC1CC(=O)N1 1P00FKYT [0,1,0,0,1,0|1,0,1]=4 1379 B9R1.53 CC(CC1CC(=O)C1)C 1P020KT8 [0,1,0,0,1,0|1,0,0]=3 1380 B9R1.53 CC(OC1CC(=O)C1)C 1P01AGCN [0,1,0,0,1,0|2,0,0]=4 1381 B9R1.53 FC(CC1CC(=O)C1)F 1P0281UI [0,1,0,0,1,0|2,0,0]=4 1382 B9R1.177 CC1(CCC)CC(=O)N1 1P0288KF [0,1,0,0,1,0|1,0,0]=3 1383 B9R1.177 COCC1(C)CC(=O)C1 1P028C9E [0,1,0,0,1,0|2,0,0]=4 1384 B9R1.177 COCC1(N)CC(=O)C1 1P028QPD [0,1,0,0,1,0|2,0,0]=4 1385 B9R1.177 CSCC1(N)CC(=O)C1 1P028EO3 [0,1,0,0,1,0|2,0,0]=4 1386 B9R1.39 ClCCCC1CCC1=O 1P01EMDK [0,1,0,0,1,0|0,0,0]=2 1387 B9R1.56 OCCC1CCS1(=O)=O 1P028VTP [0,1,0,0,1,0|2,0,0]=4 1388 B9R1.67 CC(=O)OC1CCC1=O 1P01JV9M [0,1,0,0,1,0|1,0,1]=4 1389 B9R1.67 CC(=O)SC1CCC1=O 1P02856B [0,1,0,0,1,0|1,0,1]=4 1390 B9R1.67 CC(CC1CCC1=O)C 1P0209WU [0,1,0,0,1,0|0,0,0]=2 1391 B9R1.67 CC(\C=C/1\CCC1=O)C 1P028NKD [0,1,0,0,1,0|0,0,2]=4 1392 B9R1.67 OC(=O)CC1CCC1=O 1P0281PY [0,1,0,0,1,0|1,0,1]=4 1393 B11R1.1 CCCCN1CCC(=O)CC1 1P003END [0,1,0,0,0,1|2,0,0]=4 1394 B11R1.1 CCCOC1CCC(=O)CC1 1P001RDT [0,1,0,0,0,1|1,0,0]=3 1395 B11R1.1 COCCN1CCC(=O)CC1 1P00DE37 [0,1,0,0,0,1|2,0,0]=4 1396 B11R1.1 NCCCC1CCC(=O)NC1 1P028LPQ [0,1,0,0,0,1|1,0,0]=3 1397 B11R1.20 CC(CN1CCC(=O)CC1)C 1P003DC0 [0,1,0,0,0,1|2,0,0]=4 1398 B11R1.20 CC(OC1CCC(=O)CC1)C 1P00698P [0,1,0,0,0,1|2,0,0]=4 1399 B11R1.20 CN(CC1CCC(=O)CC1)C 1P0283JX [0,1,0,0,0,1|2,0,0]=4 1400 B11R1.81 CCCC1CCC(=O)NC1=O 1P019ZW1 [0,1,0,0,0,1|1,0,0]=3 1401 B11R1.83 CCCC1CCC(CC1)C=O 1P00BP3K [0,1,0,0,0,1|1,0,1]=4 1402 B11R1.1234 CCCC1(C)COC(=O)OC1 1P003NCF [0,1,0,0,0,1|1,0,0]=3 1403 B11R1.23 CC(C1CCCC(=O)N1)CN 1P0283ZW [0,1,0,0,0,1|2,0,0]=4 1404 B11R1.24 CCCCC1=CC(=O)CCC1 1P01FQMW [0,1,0,0,0,1|1,0,1]=4 1405 B11R1.24 CCCCC1CCCC(=O)O1 1P00I6T9 [0,1,0,0,0,1|0,0,0]=2 1406 B11R1.24 CNCCN1CCNC(=O)C1 1P01BJGD [0,1,0,0,0,1|2,0,0]=4 1407 B11R1.24 NCCCC1CCNC(=O)C1 1P028OE7 [0,1,0,0,0,1|1,0,0]=3 1408 B11R1.24 NCCCN1CCNC(=O)C1 1P00J2E4 [0,1,0,0,0,1|2,0,0]=4 1409 B11R1.34 CCCC1CC(=CC(=O)C1)C 1P00I7T3 [0,1,0,0,0,1|1,0,1]=4 1410 B11R1.34 CCCC1CC(=O)CC(=O)C1 1P00EFHY [0,1,0,0,0,1|1,0,0]=3 1411 B11R1.157 CC(=O)CC1CCCC(=O)N1 1P01C3MM [0,1,0,0,0,1|1,0,1]=4 1412 B11R1.157 CC(CC1OCCC(=O)C1)C 1P028RWJ [0,1,0,0,0,1|1,0,0]=3 1413 B11R1.157 CC(C[C@H]1COCC(=O)N1)C 1P0004IC [0,1,0,0,0,1|1,0,0]=3 1414 B11R1.157 CN(CC1CCCC(=O)C1)C 1P01FJT2 [0,1,0,0,0,1|2,0,0]=4 1415 B11R1.15 CCOC(=O)C1CCC(=O)C1 1P003QP5 [0,2,0,0,0,0|1,0,1]=4 1416 B11R1.15 CCOC(=O)C1CCC(=O)N1 1P00FCPE [0,2,0,0,0,0|1,0,1]=4 1417 B11R1.15 CCOC(=O)C1CCC(=O)O1 1P009M28 [0,2,0,0,0,0|0,0,1]=3 1418 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 1P0035AG [0,2,0,0,0,0|1,0,1]=4 1419 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 1P00ICBX [0,2,0,0,0,0|1,0,1]=4 1420 B11R1.314 CC(C(=O)C1CCC(=O)N1)C 1P01DZE2 [0,2,0,0,0,0|1,0,1]=4 1421 B11R1.27 C=CCOCC1COC(=O)O1 1P0038VP [0,2,0,0,0,0|1,0,1]=4 1422 B11R1.27 CCCCCC1CCC(=O)O1 1P00HAPV [0,2,0,0,0,0|0,0,0]=2 1423 B11R1.27 CCCCCC1OC(=O)C=C1 1P00389N [0,2,0,0,0,0|0,0,2]=4 1424 B11R1.27 CCCCSC1CCC(=O)O1 1P01IYAT [0,2,0,0,0,0|0,0,0]=2 1425 B11R1.27 NCCCC[C@H]1COC(=O)N1 1P028W8W [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.39 COC(=O)CC1CCC(=O)C1 1P00C73N [0,2,0,0,0,0|1,0,1]=4 1427 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 1P00G3TQ [0,2,0,0,0,0|1,0,1]=4 1428 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 1P002T3H [0,2,0,0,0,0|1,0,1]=4 1429 B11R1.75 CC(CCC1CCC(=O)C1)C 1P01ANTN [0,2,0,0,0,0|1,0,0]=3 1430 B11R1.75 CC(NCC1CCC(=O)N1)C 1P00J1EU [0,2,0,0,0,0|1,0,0]=3 1431 B11R1.75 CC(NC[C@@H]1CCC(=O)N1)C 1P01BVUV [0,2,0,0,0,0|1,0,0]=3 1432 B11R1.75 OC(=O)CCC1CCC(=O)C1 1P00CM6U [0,2,0,0,0,0|1,0,1]=4 1433 B11R1.75 OC(=O)CCC1CCC(=O)N1 1P008P8S [0,2,0,0,0,0|1,0,1]=4 1434 B11R1.213 CCCNC1CCS(=O)(=O)C1 1P00DBXM [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.213 NCCCC1CCC(O1)(C)C 1P0293AL [0,2,0,0,0,0|1,0,1]=4 1436 B11R1.230 CC1CC(=O)OC1CCCC 1P00I87D [0,2,0,0,0,0|0,0,0]=2 1437 B11R1.230 CCCCC1OC(=O)NC1=O 1P00BI1Y [0,2,0,0,0,0|1,0,1]=4 1438 B11R1.230 CSCCC1OC(=O)NC1=O 1P028M8U [0,2,0,0,0,0|1,0,1]=4 1439 B11R1.914 CC1(CCCC)CCC(=O)O1 1P00CZUS [0,2,0,0,0,0|0,0,0]=2 1440 B11R1.76 CC(CC1CNC(=O)O1)(C)C 1P01B1O0 [0,2,0,0,0,0|1,0,0]=3 1441 B11R1.76 O=C1CCC(C1)CC(C)(C)C 1P027U34 [0,2,0,0,0,0|1,0,0]=3 1442 B11R1.76 O=C1NCC(C1)CC(C)(C)C 1P01B1XK [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.1039 CC(CC1(C)CCC(=O)C1)C 1P027UG9 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.1039 CC(CC1(C)CCC(=O)O1)C 1P0006QR [0,2,0,0,0,0|0,0,0]=2 1445 B11R1.187 CCCC1CC(=O)N(C1)C=C 1P0293HR [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.187 NCCC1OC(=O)N(C1)CC 1P028M3S [0,2,0,0,0,0|2,0,0]=4 1447 B9R1.2 BrCC1CCCC(C1)O 1P028LQF [0,0,1,1,0,0|1,0,1]=4 1448 B9R1.2 C#CC1CCCC(C1)O 1P01BVBY [0,0,1,1,0,0|1,0,1]=4 1449 B9R1.2 CCC1CCCC(C1)O 1P00DJHN [0,0,1,1,0,0|1,0,1]=4 1450 B9R1.2 CNC1CCCC(C1)O 1P02864R [0,0,1,1,0,0|2,0,0]=4 1451 B9R1.2 COC1CCCC(C1)O 1P00ILX5 [0,0,1,1,0,0|2,0,0]=4 1452 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O 1P01DY4H [0,0,1,1,0,0|2,0,0]=4 1453 B9R1.2 CSC1CCCC(C1)O 1P01C8KE [0,0,1,1,0,0|2,0,0]=4 1454 B9R1.2 ClCC1CCCC(C1)O 1P01ALW3 [0,0,1,1,0,0|1,0,1]=4 1455 B9R1.2 N#CC1CCCC(C1)O 1P00BJ35 [0,0,1,1,0,0|1,0,1]=4 1456 B9R1.2 NCC1CCCC(C1)O 1P000DEF [0,0,1,1,0,0|1,0,1]=4 1457 B9R1.2 NC[C@H]1CCC[C@H](C1)O 1P01K18D [0,0,1,1,0,0|1,0,1]=4 1458 B9R1.2 O=CC1CCCC(C1)C 1P000VEJ [0,0,1,1,0,0|1,0,0]=3 1459 B9R1.2 O=CC1CCCC(C1)F 1P01BIXF [0,0,1,1,0,0|1,0,0]=3 1460 B9R1.2 O=CC1CCCN(C1)C 1P00IKSB [0,0,1,1,0,0|2,0,0]=4 1461 B9R1.2 O=CC1CCOC(C1)C 1P01A5EP [0,0,1,1,0,0|2,0,0]=4 1462 B9R1.2 OC[C@@H]1CCC[C@@H](C1)O 1P01EJ3P [0,0,1,1,0,0|0,0,2]=4 1463 B9R1.2 OC[C@H]1CCC[C@H](C1)O 1P027UDF [0,0,1,1,0,0|0,0,2]=4 1464 B9R1.8 CCOC1CCC=CO1 1P003HMH [0,0,1,1,0,0|2,0,0]=4 1465 B9R1.15 CCC1CCCCC1O 1P003HO9 [0,0,1,1,0,0|1,0,1]=4 1466 B9R1.27 CCC1C(=O)CCC1=O 1P0036GP [0,0,1,1,0,0|0,0,2]=4 1467 B9R1.48 CC1CNCCC(C1)O 1P028HXM [0,0,1,1,0,0|2,0,0]=4 1468 B9R1.49 CC1CCCC(=O)CC1 1P01ALFG [0,0,1,1,0,0|1,0,0]=3 1469 B9R1.49 CC1CCNC(=O)CC1 1P00C2C9 [0,0,1,1,0,0|2,0,0]=4 1470 B9R1.49 CN1CCCC(=O)CC1 1P002C56 [0,0,1,1,0,0|2,0,0]=4 1471 B9R1.49 CN1CCCC(=O)CC1 1P00ACFT [0,0,1,1,0,0|2,0,0]=4 1472 B9R1.49 CN1CCCC(CC1)O 1P002F6O [0,0,1,1,0,0|2,0,0]=4 1473 B9R1.49 NC1CCCC(=O)NC1 1P000ZGQ [0,0,1,1,0,0|2,0,0]=4 1474 B9R1.49 NC1CCCC(CC1)O 1P027UAM [0,0,1,1,0,0|1,0,1]=4 1475 B9R1.49 NC1CCNC(=O)CC1 1P01C49D [0,0,1,1,0,0|2,0,0]=4 1476 B9R1.49 O=C1CCCS(=O)CC1 1P01B34J [0,0,1,1,0,0|1,0,1]=4 1477 B9R1.49 OC1CCCC(=O)NC1 1P000ZGL [0,0,1,1,0,0|1,0,0]=3 1478 B9R1.50 BrC1CCCC=CCC1 1P00CMWI [0,0,1,1,0,0|2,0,0]=4 1479 B9R1.50 NC1CCCC=CCC1 1P01EMNJ [0,0,1,1,0,0|2,0,0]=4 1480 B9R1.50 OC1CCCC=CCC1 1P00GARS [0,0,1,1,0,0|1,0,0]=3 1481 B9R1.50 OC1CCCCCCC1 1P005JW9 [0,0,1,1,0,0|1,0,1]=4 1482 B9R1.50 O[C@H]1CCCC=CCC1 1P00CIJB [0,0,1,1,0,0|1,0,0]=3 1483 B9R1.69 CC1CC(C)CNC1=O 1P00ARD5 [0,0,1,1,0,0|2,0,0]=4 1484 B9R1.69 CC1CCC(=O)C(C1)C 1P008KX0 [0,0,1,1,0,0|1,0,0]=3 1485 B9R1.69 CN1CC(O)CNC1=O 1P01ALWE [0,0,1,1,0,0|2,0,0]=4 1486 B9R1.69 CN1CCC(=O)C(C1)C 1P003E15 [0,0,1,1,0,0|2,0,0]=4 1487 B9R1.69 NC1CCC(=O)N(C1)C 1P000K4V [0,0,1,1,0,0|2,0,0]=4 1488 B9R1.69 NC1CCC(=O)N(C1)C 1P003MT9 [0,0,1,1,0,0|2,0,0]=4 1489 B9R1.69 N[C@@H]1CCC(=O)N(C1)C 1P020LSJ [0,0,1,1,0,0|2,0,0]=4 1490 B9R1.69 OC1CCC(=O)N(C1)C 1P00J3DB [0,0,1,1,0,0|1,0,0]=3 1491 B9R1.69 OC1CCC(C(C1)C)C 1P003IZD [0,0,1,1,0,0|1,0,1]=4 1492 B9R1.69 OC1CCC(C(C1)C)N 1P028ZC8 [0,0,1,1,0,0|1,0,1]=4 1493 B9R1.100 C=CCCC(C1CC1)N 1P0291OM [0,0,1,1,0,0|2,0,0]=4 1494 B9R1.100 C=CCCC(C1CC1)O 1P01A2EC [0,0,1,1,0,0|1,0,0]=3 1495 B9R1.117 NCCCC1(O)CCC1 1P01C47G [0,0,1,1,0,0|1,0,1]=4 1496 B9R1.117 OCCCC1(O)CCC1 1P00ILEE [0,0,1,1,0,0|0,0,2]=4 1497 B9R1.34 CC1CC(=CC(=O)C1)C 1P007U39 [0,0,1,1,0,0|1,0,1]=4 1498 B9R1.34 CC1CC(=O)OC(=O)C1 1P003K81 [0,0,1,1,0,0|1,0,1]=4 1499 B9R1.34 CC1CC(C)CC(=O)C1 1P002MYT [0,0,1,1,0,0|1,0,0]=3 1500 B9R1.34 CC1NC(C)CC(=O)C1 1P008UID [0,0,1,1,0,0|2,0,0]=4 1501 B9R1.34 CC1SC(C)CC(=O)C1 1P02841Q [0,0,1,1,0,0|2,0,0]=4 1502 B9R1.34 C[C@@H]1C[C@H](C)NC(=O)C1 1P02902S [0,0,1,1,0,0|1,0,0]=3 1503 B9R1.34 C[C@@H]1N[C@H](C)CC(=O)C1 1P00IFA3 [0,0,1,1,0,0|2,0,0]=4 1504 B9R1.34 C[C@@H]1O[C@H](C)CC(=O)C1 1P001KYT [0,0,1,1,0,0|2,0,0]=4 1505 B9R1.34 C[C@@H]1S[C@H](C)CC(=O)C1 1P0290V6 [0,0,1,1,0,0|2,0,0]=4 1506 B9R1.34 NC1CC(C)NC(=O)C1 1P028H1Q [0,0,1,1,0,0|2,0,0]=4 1507 B9R1.41 CC(=O)C1CCOC1C 1P028OOD [0,0,1,1,0,0|2,0,0]=4 1508 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,0,1,1,0,0|1,0,1]=4 1509 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [0,0,1,1,0,0|2,0,0]=4 1510 B9R1.41 CC1CCCN1C(=O)C 1P01EIRL [0,0,1,1,0,0|1,0,0]=3 1511 B9R1.41 CC1CCCN1C(=O)Cl 1P01EN8D [0,0,1,1,0,0|2,0,0]=4 1512 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,0,1,1,0,0|2,0,0]=4 1513 B9R1.137 CC(C1CC1)CC(=O)O 1P019Y4O [0,0,1,1,0,0|2,0,0]=4 1514 B9R1.171 CC(=O)CC1(O)CCC1 1P01DZO2 [0,0,1,1,0,0|2,0,0]=4 1515 B9R1.171 OC(=O)CC1(C)CCC1 1P01FEY7 [0,0,1,1,0,0|2,0,0]=4 1516 B9R1.1 BrCC1CCC(=O)CC1 1P002B8T [0,0,1,1,0,0|2,0,0]=4 1517 B9R1.1 BrCC1CCC(=O)NC1 1P01C6UC [0,0,1,1,0,0|2,0,0]=4 1518 B9R1.1 CCC1CCC(=C)CC1 1P0292UL [0,0,1,1,0,0|2,0,0]=4 1519 B9R1.1 CCC1CCC(=O)C=C1 1P01BJI4 [0,0,1,1,0,0|1,0,1]=4 1520 B9R1.1 CCC1CCC(=O)CC1 1P003LSR [0,0,1,1,0,0|1,0,0]=3 1521 B9R1.1 CCC1CNC(=O)CN1 1P01BNYX [0,0,1,1,0,0|2,0,0]=4 1522 B9R1.1 CCN1CCC(=O)CC1 1P003ERX [0,0,1,1,0,0|2,0,0]=4 1523 B9R1.1 CNC1CCC(=O)NC1 1P028JBY [0,0,1,1,0,0|2,0,0]=4 1524 B9R1.1 COC1CCC(=O)CC1 1P0038L4 [0,0,1,1,0,0|2,0,0]=4 1525 B9R1.1 COC1CCC(=O)NC1 1P027VXR [0,0,1,1,0,0|2,0,0]=4 1526 B9R1.1 NCC1CCC(=O)CC1 1P01E0JY [0,0,1,1,0,0|2,0,0]=4 1527 B9R1.1 NCC1CCC(=O)NC1 1P00CAYN [0,0,1,1,0,0|2,0,0]=4 1528 B9R1.1 NCC1CCC(=O)NC1 1P01BBQE [0,0,1,1,0,0|2,0,0]=4 1529 B9R1.1 NCC1CCC(=O)NC1 1P028722 [0,0,1,1,0,0|2,0,0]=4 1530 B9R1.1 OCC1CCC(=O)CC1 1P003KPB [0,0,1,1,0,0|2,0,0]=4 1531 B9R1.1 OCC1CCC(=O)NC1 1P001E3S [0,0,1,1,0,0|2,0,0]=4 1532 B9R1.3 CC1C(C)CCCC1=O 1P0080LX [0,0,1,1,0,0|1,0,0]=3 1533 B9R1.3 CC1CCNC(=O)C1N 1P019SHU [0,0,1,1,0,0|2,0,0]=4 1534 B9R1.3 C[C@H]1[C@H](C)NCCC1=O 1P028Q67 [0,0,1,1,0,0|2,0,0]=4 1535 B9R1.5 BrC1CCCCCC1=O 1P003H8G [0,0,1,1,0,0|2,0,0]=4 1536 B9R1.5 CC1CCCCCC1=O 1P01B1UZ [0,0,1,1,0,0|1,0,0]=3 1537 B9R1.5 CC1CCNCCC1=O 1P00HHI1 [0,0,1,1,0,0|2,0,0]=4 1538 B9R1.5 CC1CCOCCC1=O 1P028VX6 [0,0,1,1,0,0|2,0,0]=4 1539 B9R1.5 CC1NCCCNC1=O 1P00BIA2 [0,0,1,1,0,0|2,0,0]=4 1540 B9R1.5 CN1CCCCCC1=O 1P0037XK [0,0,1,1,0,0|2,0,0]=4 1541 B9R1.5 C[C@@H]1NCCCNC1=O 1P01BUK2 [0,0,1,1,0,0|2,0,0]=4 1542 B9R1.5 C[C@H]1NCCCNC1=O 1P0054XZ [0,0,1,1,0,0|2,0,0]=4 1543 B9R1.5 ClC1CCCCCC1=O 1P003HIR [0,0,1,1,0,0|2,0,0]=4 1544 B9R1.5 FC1CCCCCC1=O 1P01G5Z8 [0,0,1,1,0,0|2,0,0]=4 1545 B9R1.5 NC1CCCCCC1=O 1P01AMF1 [0,0,1,1,0,0|2,0,0]=4 1546 B9R1.5 O=C1CCCNCC1C 1P00IAJI [0,0,1,1,0,0|2,0,0]=4 1547 B9R1.5 O=C1CNCCCC1C 1P0290ML [0,0,1,1,0,0|2,0,0]=4 1548 B9R1.5 O=C1NCCCCC1Br 1P00CMNE [0,0,1,1,0,0|2,0,0]=4 1549 B9R1.5 O=C1NCCCCC1C 1P002JFG [0,0,1,1,0,0|1,0,0]=3 1550 B9R1.5 O=C1NCCCCC1I 1P028L1Q [0,0,1,1,0,0|2,0,0]=4 1551 B9R1.5 O=C1NCCCCC1N 1P002YTR [0,0,1,1,0,0|2,0,0]=4 1552 B9R1.5 O=C1NCCCCC1N 1P003QA4 [0,0,1,1,0,0|2,0,0]=4 1553 B9R1.5 O=C1NCCCC[C@@H]1N 1P002S2B [0,0,1,1,0,0|2,0,0]=4 1554 B9R1.5 O=C1NCCCC[C@@H]1N 1P003D2E [0,0,1,1,0,0|2,0,0]=4 1555 B9R1.5 O=C1NCCCC[C@H]1N 1P002S2C [0,0,1,1,0,0|2,0,0]=4 1556 B9R1.5 O=C1NCCCC[C@H]1N 1P002VG3 [0,0,1,1,0,0|2,0,0]=4 1557 B9R1.5 O=C1NCCCOC1C 1P00I1SK [0,0,1,1,0,0|2,0,0]=4 1558 B9R1.5 O=C1NCCNCC1C 1P02025X [0,0,1,1,0,0|2,0,0]=4 1559 B9R1.5 OC1CCCCCC1=O 1P023QLZ [0,0,1,1,0,0|2,0,0]=4 1560 B9R1.79 CCC(=O)NC1CNC1 1P01AFSK [0,0,1,1,0,0|2,0,0]=4 1561 B9R1.79 CCC(=O)OC1CNC1 1P01FKVT [0,0,1,1,0,0|1,0,0]=3 1562 B9R1.79 CNC(=O)OC1CNC1 1P01EJIL [0,0,1,1,0,0|2,0,0]=4 1563 B9R1.79 COC(=O)CC1CCC1 1P00685D [0,0,1,1,0,0|2,0,0]=4 1564 B9R1.79 ClCC(=O)CC1CCC1 1P028MNC [0,0,1,1,0,0|2,0,0]=4 1565 B9R1.79 ClCC(=O)OC1CNC1 1P028N0M [0,0,1,1,0,0|2,0,0]=4 1566 B9R1.79 NCC(=O)CC1CCC1 1P028C45 [0,0,1,1,0,0|2,0,0]=4 1567 B9R1.79 NCC(=O)NC1CCC1 1P00BZ05 [0,0,1,1,0,0|2,0,0]=4 1568 B9R1.79 NCC(=O)NC1CCC1 1P01FJWP [0,0,1,1,0,0|2,0,0]=4 1569 B9R1.79 OCC(=O)OC1CCC1 1P028K01 [0,0,1,1,0,0|1,0,0]=3 1570 B9R1.80 BrCC(=O)NCC1CC1 1P01A2N4 [0,0,1,1,0,0|2,0,0]=4 1571 B9R1.80 ClCC(=O)CCC1CC1 1P028V5K [0,0,1,1,0,0|2,0,0]=4 1572 B9R1.80 ClCC(=O)NCC1CC1 1P00DRFV [0,0,1,1,0,0|2,0,0]=4 1573 B9R1.80 ICC(=O)NCC1CC1 1P01C2F6 [0,0,1,1,0,0|2,0,0]=4 1574 B9R1.80 NCC(=O)NCC1CC1 1P01A5LY [0,0,1,1,0,0|2,0,0]=4 1575 B9R1.80 NCC(=O)OCC1CC1 1P01A9SA [0,0,1,1,0,0|1,0,0]=3 1576 B9R1.6 CC(=O)C1CCCCC1 1P00337P [0,0,1,1,0,0|1,0,0]=3 1577 B9R1.6 CC(=O)C1CCCCN1 1P007DH9 [0,0,1,1,0,0|2,0,0]=4 1578 B9R1.6 CC(=O)C1CCCCO1 1P01BY6Z [0,0,1,1,0,0|2,0,0]=4 1579 B9R1.6 CC(=O)C1CCCNC1 1P00G51Z [0,0,1,1,0,0|2,0,0]=4 1580 B9R1.6 CC(=O)C1CCCNC1 1P00H3H8 [0,0,1,1,0,0|2,0,0]=4 1581 B9R1.6 CC(=O)C1CCCOC1 1P01A63Q [0,0,1,1,0,0|2,0,0]=4 1582 B9R1.6 CC(=O)C1CCNCC1 1P0031UL [0,0,1,1,0,0|2,0,0]=4 1583 B9R1.6 CC(=O)C1CCOCC1 1P001387 [0,0,1,1,0,0|2,0,0]=4 1584 B9R1.6 CC(=O)C1CCSCC1 1P01AFVX [0,0,1,1,0,0|2,0,0]=4 1585 B9R1.6 CC(=O)C1CC[NH2+]CC1 1P0037H4 [0,0,1,1,0,0|2,0,0]=4 1586 B9R1.6 CC(=O)N1CCCCC1 1P003DKT [0,0,1,1,0,0|2,0,0]=4 1587 B9R1.6 CC(=O)[C@@H]1CCCCN1 1P01ANWE [0,0,1,1,0,0|2,0,0]=4 1588 B9R1.6 CC(=O)[C@H]1CCCCN1 1P01ANWF [0,0,1,1,0,0|2,0,0]=4 1589 B9R1.6 CC(C1CCCCC1)O 1P000J0E [0,0,1,1,0,0|1,0,1]=4 1590 B9R1.6 CP(=O)C1CCCCC1 1P020LQM [0,0,1,1,0,0|2,0,0]=4 1591 B9R1.6 C[C@@H](C1CCCCC1)O 1P019ROS [0,0,1,1,0,0|1,0,1]=4 1592 B9R1.6 C[C@H](C1CCCCC1)O 1P019ROR [0,0,1,1,0,0|1,0,1]=4 1593 B9R1.6 ClC(=O)C1CCCCC1 1P003545 [0,0,1,1,0,0|1,0,0]=3 1594 B9R1.6 ClC(=O)C1CCCOC1 1P01A5XX [0,0,1,1,0,0|2,0,0]=4 1595 B9R1.6 ClC(=O)C1CCOCC1 1P00I8CP [0,0,1,1,0,0|2,0,0]=4 1596 B9R1.6 ClC(=O)N1CCCCC1 1P001BE0 [0,0,1,1,0,0|2,0,0]=4 1597 B9R1.6 ClS(=O)C1CCCCC1 1P01AV8O [0,0,1,1,0,0|2,0,0]=4 1598 B9R1.6 NC(=N)C1CCCCC1 1P002POZ [0,0,1,1,0,0|2,0,0]=4 1599 B9R1.6 NC(=N)C1CCCCC1 1P002QJG [0,0,1,1,0,0|2,0,0]=4 1600 B9R1.6 NC(=O)C1CCCCC1 1P003PL8 [0,0,1,1,0,0|1,0,0]=3 1601 B9R1.6 NC(=O)C1CCCCN1 1P002C8O [0,0,1,1,0,0|2,0,0]=4 1602 B9R1.6 NC(=O)C1CCCCN1 1P00G4KZ [0,0,1,1,0,0|2,0,0]=4 1603 B9R1.6 NC(=O)C1CCCCS1 1P01A67P [0,0,1,1,0,0|2,0,0]=4 1604 B9R1.6 NC(=O)C1CCCNC1 1P003TKW [0,0,1,1,0,0|2,0,0]=4 1605 B9R1.6 NC(=O)C1CCNCC1 1P00CLC8 [0,0,1,1,0,0|2,0,0]=4 1606 B9R1.6 NC(=O)C1CCNCC1 1P00I88T [0,0,1,1,0,0|2,0,0]=4 1607 B9R1.6 NC(=O)C1CCOCC1 1P00BYXT [0,0,1,1,0,0|2,0,0]=4 1608 B9R1.6 NC(=O)N1CCCCC1 1P003F3R [0,0,1,1,0,0|2,0,0]=4 1609 B9R1.6 NC(=O)[C@@H]1CCCCN1 1P00H6KN [0,0,1,1,0,0|2,0,0]=4 1610 B9R1.6 NC(=O)[C@@H]1CCCNC1 1P0015IL [0,0,1,1,0,0|2,0,0]=4 1611 B9R1.6 NC(=O)[C@@H]1CCCNC1 1P001YQ3 [0,0,1,1,0,0|2,0,0]=4 1612 B9R1.6 NC(=O)[C@H]1CCCCN1 1P005E3G [0,0,1,1,0,0|2,0,0]=4 1613 B9R1.6 NC(=O)[C@H]1CCCNC1 1P0008IH [0,0,1,1,0,0|2,0,0]=4 1614 B9R1.6 NC(=O)[C@H]1CCCNC1 1P0049XJ [0,0,1,1,0,0|2,0,0]=4 1615 B9R1.6 NC(=S)C1CCCCC1 1P00FCW2 [0,0,1,1,0,0|1,1,0]=4 1616 B9R1.6 OB(C1CCCCC1)O 1P003PM4 [0,0,1,1,0,0|1,0,1]=4 1617 B9R1.6 OC(=O)C1=CCCCC1 1P003EPS [0,0,1,1,0,0|0,0,2]=4 1618 B9R1.6 OC(=O)C1CCC=CC1 1P00345H [0,0,1,1,0,0|0,0,2]=4 1619 B9R1.6 OC(=O)C1CCCC=C1 1P01A4K3 [0,0,1,1,0,0|0,0,2]=4 1620 B9R1.6 OC(=O)C1CCCCC1 1P003546 [0,0,1,1,0,0|0,0,0]=2 1621 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,0,1,1,0,0|1,0,0]=3 1622 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,0,1,1,0,0|1,0,0]=3 1623 B9R1.6 OC(=O)C1CCCCO1 1P003V5T [0,0,1,1,0,0|1,0,0]=3 1624 B9R1.6 OC(=O)C1CCCCS1 1P00DYOK [0,0,1,1,0,0|1,0,0]=3 1625 B9R1.6 OC(=O)C1CCCNC1 1P003TKX [0,0,1,1,0,0|1,0,0]=3 1626 B9R1.6 OC(=O)C1CCCNC1 1P019GDL [0,0,1,1,0,0|1,0,0]=3 1627 B9R1.6 OC(=O)C1CCCNN1 1P0202D4 [0,0,1,1,0,0|2,0,0]=4 1628 B9R1.6 OC(=O)C1CCCOC1 1P004OJR [0,0,1,1,0,0|1,0,0]=3 1629 B9R1.6 OC(=O)C1CCCSC1 1P001SWD [0,0,1,1,0,0|1,0,0]=3 1630 B9R1.6 OC(=O)C1CCCSS1 1P00AGUG [0,0,1,1,0,0|2,0,0]=4 1631 B9R1.6 OC(=O)C1CCNCC1 1P0035IM [0,0,1,1,0,0|1,0,0]=3 1632 B9R1.6 OC(=O)C1CCNCC1 1P00IB2W [0,0,1,1,0,0|1,0,0]=3 1633 B9R1.6 OC(=O)C1CCOCC1 1P00364U [0,0,1,1,0,0|1,0,0]=3 1634 B9R1.6 OC(=O)C1CCOCN1 1P0281IO [0,0,1,1,0,0|2,0,0]=4 1635 B9R1.6 OC(=O)C1CCSCC1 1P00364Z [0,0,1,1,0,0|1,0,0]=3 1636 B9R1.6 OC(=O)C1CCSCN1 1P00EEUN [0,0,1,1,0,0|2,0,0]=4 1637 B9R1.6 OC(=O)C1CCSCN1 1P00J29I [0,0,1,1,0,0|2,0,0]=4 1638 B9R1.6 OC(=O)C1CNCCN1 1P002UQ4 [0,0,1,1,0,0|2,0,0]=4 1639 B9R1.6 OC(=O)C1CNCCN1 1P00JKZR [0,0,1,1,0,0|2,0,0]=4 1640 B9R1.6 OC(=O)C1CNCCO1 1P003I7L [0,0,1,1,0,0|2,0,0]=4 1641 B9R1.6 OC(=O)C1CNCCO1 1P003I7M [0,0,1,1,0,0|2,0,0]=4 1642 B9R1.6 OC(=O)C1CNCCS1 1P0049RE [0,0,1,1,0,0|2,0,0]=4 1643 B9R1.6 OC(=O)C1COCCN1 1P00348D [0,0,1,1,0,0|2,0,0]=4 1644 B9R1.6 OC(=O)C1COCCN1 1P00348E [0,0,1,1,0,0|2,0,0]=4 1645 B9R1.6 OC(=O)C1COCCO1 1P003ZD6 [0,0,1,1,0,0|2,0,0]=4 1646 B9R1.6 OC(=O)C1COCOC1 1P01IKQ1 [0,0,1,1,0,0|2,0,0]=4 1647 B9R1.6 OC(=O)C1CSCCN1 1P002KT8 [0,0,1,1,0,0|2,0,0]=4 1648 B9R1.6 OC(=O)C1CSCCN1 1P005U2E [0,0,1,1,0,0|2,0,0]=4 1649 B9R1.6 OC(=O)C1CSCCS1 1P019POD [0,0,1,1,0,0|2,0,0]=4 1650 B9R1.6 OC(=O)C1NCCCS1 1P005CY3 [0,0,1,1,0,0|2,0,0]=4 1651 B9R1.6 OC(=O)C1NCCCS1 1P028RJW [0,0,1,1,0,0|2,0,0]=4 1652 B9R1.6 OC(=O)C1NCCNC1 1P00I64V [0,0,1,1,0,0|2,0,0]=4 1653 B9R1.6 OC(=O)C1OCCCO1 1P01B1T9 [0,0,1,1,0,0|2,0,0]=4 1654 B9R1.6 OC(=O)C1SCCCS1 1P002A2N [0,0,1,1,0,0|2,0,0]=4 1655 B9R1.6 OC(=O)N1CCCCC1 1P01JI0G [0,0,1,1,0,0|1,0,0]=3 1656 B9R1.6 OC(=O)[C@@H]1CCC=CC1 1P003822 [0,0,1,1,0,0|0,0,2]=4 1657 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,0,1,1,0,0|1,0,0]=3 1658 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,0,1,1,0,0|1,0,0]=3 1659 B9R1.6 OC(=O)[C@@H]1CCCCO1 1P007F1C [0,0,1,1,0,0|1,0,0]=3 1660 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P008BRH [0,0,1,1,0,0|1,0,0]=3 1661 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P00I59B [0,0,1,1,0,0|1,0,0]=3 1662 B9R1.6 OC(=O)[C@@H]1CCCNN1 1P01DN52 [0,0,1,1,0,0|2,0,0]=4 1663 B9R1.6 OC(=O)[C@@H]1CCCOC1 1P00NEMM [0,0,1,1,0,0|1,0,0]=3 1664 B9R1.6 OC(=O)[C@@H]1CNCCN1 1P007KK0 [0,0,1,1,0,0|2,0,0]=4 1665 B9R1.6 OC(=O)[C@@H]1CNCCO1 1P001J3F [0,0,1,1,0,0|2,0,0]=4 1666 B9R1.6 OC(=O)[C@@H]1COCCN1 1P003D2S [0,0,1,1,0,0|2,0,0]=4 1667 B9R1.6 OC(=O)[C@@H]1COCCN1 1P0081DN [0,0,1,1,0,0|2,0,0]=4 1668 B9R1.6 OC(=O)[C@@H]1COCCO1 1P0023WB [0,0,1,1,0,0|2,0,0]=4 1669 B9R1.6 OC(=O)[C@@H]1NCCNC1 1P000T44 [0,0,1,1,0,0|2,0,0]=4 1670 B9R1.6 OC(=O)[C@H]1CCC=CC1 1P00393M [0,0,1,1,0,0|0,0,2]=4 1671 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,0,1,1,0,0|1,0,0]=3 1672 B9R1.6 OC(=O)[C@H]1CCCCO1 1P007F1B [0,0,1,1,0,0|1,0,0]=3 1673 B9R1.6 OC(=O)[C@H]1CCCNC1 1P0037MY [0,0,1,1,0,0|1,0,0]=3 1674 B9R1.6 OC(=O)[C@H]1CCCNC1 1P004WIX [0,0,1,1,0,0|1,0,0]=3 1675 B9R1.6 OC(=O)[C@H]1CCCOC1 1P01JUNC [0,0,1,1,0,0|1,0,0]=3 1676 B9R1.6 OC(=O)[C@H]1CNCCO1 1P000XF5 [0,0,1,1,0,0|2,0,0]=4 1677 B9R1.6 OC(=O)[C@H]1CNCCO1 1P009BB3 [0,0,1,1,0,0|2,0,0]=4 1678 B9R1.6 OC(=O)[C@H]1COCCN1 1P0039ZQ [0,0,1,1,0,0|2,0,0]=4 1679 B9R1.6 OC(=O)[C@H]1COCCN1 1P003CQE [0,0,1,1,0,0|2,0,0]=4 1680 B9R1.6 OC(=O)[C@H]1COCCO1 1P00AO1E [0,0,1,1,0,0|2,0,0]=4 1681 B9R1.6 OC(=O)[C@H]1CSCCN1 1P005OO5 [0,0,1,1,0,0|2,0,0]=4 1682 B9R1.6 OC(=O)[C@H]1NCCNC1 1P001R7K [0,0,1,1,0,0|2,0,0]=4 1683 B9R1.6 OS(=O)C1CCCCC1 1P01C8KI [0,0,1,1,0,0|1,0,0]=3 1684 B9R1.6 [O-]C(=O)C1CCCCC1 1P003RPR [0,0,1,1,0,0|0,0,1]=3 1685 B9R1.6 [O-]S(=O)C1CCCCC1 1P01C8P9 [0,0,1,1,0,0|1,0,1]=4 1686 B9R1.6 [O-][N+](=O)C1CCCCC1 1P0035US [0,0,1,1,0,0|1,0,1]=4 1687 B9R1.40 CC1CCCCC1(C)O 1P00DBGY [0,0,1,1,0,0|1,0,1]=4 1688 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,0,1,1,0,0|0,0,0]=2 1689 B9R1.46 C[C@@H]1C[C@H]1\C=C\C(=O)O 1P028CVI [0,0,1,1,0,0|0,0,2]=4 1690 B9R1.83 CCCCCCC1OC1 1P00331L [0,0,1,1,0,0|1,0,1]=4 1691 B9R1.84 ClC(=O)OCC1CCC1 1P01RKX6 [0,0,1,1,0,0|2,0,0]=4 1692 B9R1.84 NC(=O)NCC1CCC1 1P028YD3 [0,0,1,1,0,0|2,0,0]=4 1693 B9R1.84 OC(=O)C#CC1CCC1 1P01A5JC [0,0,1,1,0,0|0,0,2]=4 1694 B9R1.84 OC(=O)C=CC1CCC1 1P019UII [0,0,1,1,0,0|0,0,2]=4 1695 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,0,1,1,0,0|0,0,0]=2 1696 B9R1.84 OC(=O)CCN1CCC1 1P00IKOW [0,0,1,1,0,0|1,0,0]=3 1697 B9R1.84 OC(=O)CCN1CCC1 1P02904K [0,0,1,1,0,0|1,0,0]=3 1698 B9R1.84 OC(=O)CNC1CCC1 1P0284CG [0,0,1,1,0,0|1,0,0]=3 1699 B9R1.84 OC(=O)COC1CCC1 1P002EMZ [0,0,1,1,0,0|1,0,0]=3 1700 B9R1.84 OC(=O)COC1CNC1 1P01C6XS [0,0,1,1,0,0|2,0,0]=4 1701 B9R1.84 OC(=O)COC1CNC1 1P01C6XT [0,0,1,1,0,0|2,0,0]=4 1702 B9R1.84 OC(=O)\C=C\C1CCC1 1P01DH74 [0,0,1,1,0,0|0,0,2]=4 1703 B9R1.84 [O-]C(=O)CCC1CCO1 1P01C3R8 [0,0,1,1,0,0|1,0,1]=4 1704 B9R1.84 [O-][N+](=O)CCC1CCC1 1P0085WZ [0,0,1,1,0,0|1,0,1]=4 1705 B9R1.85 NC(=O)COCC1CC1 1P0291FX [0,0,1,1,0,0|2,0,0]=4 1706 B9R1.85 NC(=O)NCCC1CC1 1P028ACL [0,0,1,1,0,0|2,0,0]=4 1707 B9R1.85 OC(=O)C#CCC1CC1 1P028L9D [0,0,1,1,0,0|0,0,2]=4 1708 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,0,1,1,0,0|0,0,0]=2 1709 B9R1.85 OC(=O)CCCC1N=N1 1P028AT7 [0,0,1,1,0,0|2,0,0]=4 1710 B9R1.85 OC(=O)CCNC1CC1 1P0028H4 [0,0,1,1,0,0|1,0,0]=3 1711 B9R1.85 OC(=O)CCNC1CC1 1P019L49 [0,0,1,1,0,0|1,0,0]=3 1712 B9R1.85 OC(=O)CCOC1CC1 1P01BJDX [0,0,1,1,0,0|1,0,0]=3 1713 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,0,1,1,0,0|1,0,0]=3 1714 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,0,1,1,0,0|1,0,0]=3 1715 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,0,1,1,0,0|1,0,0]=3 1716 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,0,1,1,0,0|1,0,0]=3 1717 B9R1.96 C=C[C@@H]1CC[C@H]1C(=O)O 1P0289DM [0,0,1,1,0,0|0,0,2]=4 1718 B9R1.96 CCC1CCC1C(=O)O 1P01DXWD [0,0,1,1,0,0|0,0,0]=2 1719 B9R1.96 CCN1CCC1C(=O)O 1P01BV6E [0,0,1,1,0,0|1,0,0]=3 1720 B9R1.96 FC[C@@H]1CC[C@H]1C(=O)O 1P028HEX [0,0,1,1,0,0|1,0,0]=3 1721 B9R1.96 N#CC1CCC1C(=O)O 1P001NCQ [0,0,1,1,0,0|1,0,1]=4 1722 B9R1.96 N#C[C@@H]1CC[C@H]1C(=O)O 1P027U88 [0,0,1,1,0,0|1,0,1]=4 1723 B9R1.96 OCC1CCC1C(=O)O 1P022365 [0,0,1,1,0,0|1,0,0]=3 1724 B9R1.148 CC1(O)CCCCCC1 1P003I5P [0,0,1,1,0,0|1,0,1]=4 1725 B9R1.148 N=S1(=O)CCCCCC1 1P01FKYJ [0,0,1,1,0,0|2,0,0]=4 1726 B9R1.14 OC[C@@H]1CCCN1C=O 1P01EWWO [0,0,1,1,0,0|2,0,0]=4 1727 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 1P028N1O [1,0,0,1,0,0|2,0,0]=4 1728 B9R2.20 O=C1OCC2C1CC2 1P028HEY [1,0,0,1,0,0|2,0,0]=4 1729 B9R2.33 O=C1CC2C(C1)CC2 1P01ANQU [1,0,0,1,0,0|1,0,0]=3 1730 B9R2.33 O=C1NC2C(C1)CC2 1P00BMW1 [1,0,0,1,0,0|1,0,0]=3 1731 B9R2.33 O=C1OC2C(N1)CC2 1P01A5KM [1,0,0,1,0,0|1,0,0]=3 1732 B9R2.39 BrC1=CC2CC1CC2 1P005Y7J [1,0,0,1,0,0|2,0,0]=4 1733 B9R2.39 C=C1CC2CC1CC2 1P01GDS5 [1,0,0,1,0,0|2,0,0]=4 1734 B9R2.39 O=C1CC2CC1CN2 1P01JVHD [1,0,0,1,0,0|2,0,0]=4 1735 B9R2.39 O=C1CC2CC1OC2 1P028MXT [1,0,0,1,0,0|2,0,0]=4 1736 B9R2.39 O=C1CC2OC1CC2 1P01C1RJ [1,0,0,1,0,0|2,0,0]=4 1737 B9R2.39 O=C1CN2CC1CC2 1P000JPB [1,0,0,1,0,0|2,0,0]=4 1738 B9R2.39 O=C1NC2CC1CC2 1P002PDQ [1,0,0,1,0,0|1,0,0]=3 1739 B9R2.39 O=C1NC2CC1NC2 1P027OYG [1,0,0,1,0,0|2,0,0]=4 1740 B9R2.39 O=C1N[C@@H]2C[C@H]1CC2 1P009B9C [1,0,0,1,0,0|1,0,0]=3 1741 B9R2.39 O=C1N[C@@H]2C[C@H]1NC2 1P027OK7 [1,0,0,1,0,0|2,0,0]=4 1742 B9R2.39 O=C1N[C@H]2C[C@@H]1CC2 1P01B9BU [1,0,0,1,0,0|1,0,0]=3 1743 B9R2.39 O=C1N[C@H]2C[C@@H]1NC2 1P00J3DV [1,0,0,1,0,0|2,0,0]=4 1744 B9R2.39 O=C1O[C@H]2C[C@@H]1NC2 1P008P01 [1,0,0,1,0,0|1,0,0]=3 1745 B9R2.139 O=C1CCC2(C1)CC2 1P01JUO6 [1,0,0,1,0,0|1,0,0]=3 1746 B9R2.139 O=C1CCC2(N1)CC2 1P0031VV [1,0,0,1,0,0|1,0,0]=3 1747 B9R2.139 O=C1NCC2(C1)CC2 1P00I0A7 [1,0,0,1,0,0|2,0,0]=4 1748 B9R2.139 O=C1NCC2(O1)CC2 1P01XAF9 [1,0,0,1,0,0|1,0,0]=3 1749 B9R2.139 O=C1OCC2(C1)CC2 1P00CLIQ [1,0,0,1,0,0|2,0,0]=4 1750 B9R2.2 C1CNC(C1)C2CC2 1P00DK8G [1,0,0,1,0,0|1,0,1]=4 1751 B9R2.2 C1CN[C@H](C1)C2CC2 1P01K4GS [1,0,0,1,0,0|1,0,1]=4 1752 B9R2.2 C1NCC(C1)C2CC2 1P000NFJ [1,0,0,1,0,0|2,0,0]=4 1753 B9R2.2 C1NCC(C1)C2CC2 1P0222UN [1,0,0,1,0,0|2,0,0]=4 1754 B9R2.2 C1NCC(O1)C2CC2 1P02908Y [1,0,0,1,0,0|1,0,1]=4 1755 B9R2.3 C1CC2C(C1)CNC2 1P003JEY [1,0,0,1,0,0|2,0,0]=4 1756 B9R2.3 C1CC2C(C1)CNC2 1P00EBYO [1,0,0,1,0,0|2,0,0]=4 1757 B9R2.3 C1C[C@@H]2[C@@H](C1)CNC2 1P01JUUU [1,0,0,1,0,0|2,0,0]=4 1758 B9R2.3 C1C[C@@H]2[C@H](C1)CCN2 1P002943 [1,0,0,1,0,0|1,0,1]=4 1759 B9R2.3 C1C[C@@H]2[C@H](C1)CCN2 1P01PVGA [1,0,0,1,0,0|1,0,1]=4 1760 B9R2.3 C1C[C@@H]2[C@H](C1)CNC2 1P001ET8 [1,0,0,1,0,0|2,0,0]=4 1761 B9R2.3 C1C[C@@H]2[C@H](C1)CNC2 1P00IHQT [1,0,0,1,0,0|2,0,0]=4 1762 B9R2.3 N1CC2C(C1)CCO2 1P00HGPR [1,0,0,1,0,0|1,0,1]=4 1763 B9R2.3 N1C[C@@H]2[C@H](C1)CCO2 1P019FNH [1,0,0,1,0,0|1,0,1]=4 1764 B9R2.3 N1C[C@@H]2[C@H](C1)CCO2 1P01C1K3 [1,0,0,1,0,0|1,0,1]=4 1765 B9R2.7 CC1CC2C1CNC2 1P028W5X [1,0,0,1,0,0|2,0,0]=4 1766 B9R2.7 N[C@@H]1C[C@@H]2[C@H]1CCO2 1P01EI5P [1,0,0,1,0,0|1,0,1]=4 1767 B9R2.7 N[C@H]1C[C@@H]2[C@H]1CCO2 1P00J3AR [1,0,0,1,0,0|1,0,1]=4 1768 B9R2.65 OCC1C2C1CCO2 1P0204US [1,0,0,1,0,0|1,0,1]=4 1769 B9R2.173 C1CC2(C1)C=CCN2 1P01B70P [1,0,0,1,0,0|2,0,0]=4 1770 B9R2.173 C1CC2(C1)C=CCO2 1P028I28 [1,0,0,1,0,0|2,0,0]=4 1771 B9R2.173 C1CC2(C1)CCCN2 1P003APB [1,0,0,1,0,0|1,0,1]=4 1772 B9R2.173 C1CC2(C1)CCCN2 1P01BF2W [1,0,0,1,0,0|1,0,1]=4 1773 B9R2.173 C1CC2(C1)CCCN2 1P01E7YK [1,0,0,1,0,0|1,0,1]=4 1774 B9R2.173 C1CC2(C1)CCCN2 1P01JPDD [1,0,0,1,0,0|1,0,1]=4 1775 B9R2.173 C1CC2(C1)CCNC2 1P003AB5 [1,0,0,1,0,0|2,0,0]=4 1776 B9R2.173 C1CC2(C1)CCNC2 1P00HYGM [1,0,0,1,0,0|2,0,0]=4 1777 B9R2.173 C1CC2(C1)CCNC2 1P019ZUD [1,0,0,1,0,0|2,0,0]=4 1778 B9R2.173 C1COC2(C1)CNC2 1P009Z49 [1,0,0,1,0,0|1,0,1]=4 1779 B9R2.173 C1COC2(C1)CNC2 1P00IL7L [1,0,0,1,0,0|1,0,1]=4 1780 B9R2.41 O=C1CC(C1)C2CC2 1P00GB5O [0,0,0,1,1,0|1,0,0]=3 1781 B9R2.138 C=C1CC2(C1)CCC2 1P027VTV [0,0,0,1,1,0|2,0,0]=4 1782 B9R2.138 O=C1CC2(C1)CCC2 1P00I648 [0,0,0,1,1,0|1,0,0]=3 1783 B9R2.138 O=C1CC2(C1)CCO2 1P027WW5 [0,0,0,1,1,0|2,0,0]=4 1784 B9R2.138 O=C1CC2(C1)CNC2 1P0023MQ [0,0,0,1,1,0|2,0,0]=4 1785 B9R2.138 O=C1CC2(C1)CNC2 1P01K88W [0,0,0,1,1,0|2,0,0]=4 1786 B9R2.138 O=C1CC2(C1)COC2 1P00AB0Q [0,0,0,1,1,0|2,0,0]=4 1787 B9R2.138 O=C1CC2(C1)CSC2 1P00HYGU [0,0,0,1,1,0|2,0,0]=4 1788 B9R2.138 O=C1CC2(N1)CCC2 1P00VS9A [0,0,0,1,1,0|1,0,0]=3 1789 B9R2.36 NC1CCC1C2CC2 1P01B81Y [0,0,0,1,1,0|1,0,1]=4 1790 B9R2.36 O=C1CCC1C2CC2 1P006CQT [0,0,0,1,1,0|0,0,0]=2 1791 B9R2.36 OC1CCC1C2CC2 1P00I0I4 [0,0,0,1,1,0|0,0,2]=4 1792 B9R2.50 C1CN[C@@H]2[C@H](C1)CC2 1P028IL9 [0,0,0,1,1,0|1,0,1]=4 1793 B9R2.53 O=C1C2CNCC1C2 1P00IL7Q [0,0,0,1,1,0|1,0,0]=3 1794 B9R2.140 NC1CCC12CCC2 1P00ILSH [0,0,0,1,1,0|1,0,1]=4 1795 B9R2.140 O=C1CCC12CCC2 1P00EDSI [0,0,0,1,1,0|0,0,0]=2 1796 B9R2.140 O=C1CCC12CNC2 1P01JVJK [0,0,0,1,1,0|1,0,0]=3 1797 B9R2.140 O=C1CCC12COC2 1P01JUR1 [0,0,0,1,1,0|1,0,0]=3 1798 B9R2.140 O=C1COC12CCC2 1P01XACF [0,0,0,1,1,0|1,0,0]=3 1799 B9R2.140 O=C1NCC12CCC2 1P01C8LA [0,0,0,1,1,0|1,0,0]=3 1800 B9R2.140 OC1CCC12CCC2 1P01C4G2 [0,0,0,1,1,0|0,0,2]=4 1801 B11R2.34 O=C1CCC(CC1)C2CC2 1P00HVK3 [0,0,0,1,0,1|1,0,0]=3 1802 B11R2.34 O=C1CCN(CC1)C2CC2 1P003EQ5 [0,0,0,1,0,1|2,0,0]=4 1803 B11R2.34 O=C1NCC(OC1)C2CC2 1P01AG8D [0,0,0,1,0,1|1,0,0]=3 1804 B11R2.36 O=C1CCC2C(C1)CCC2 1P01GHZ6 [0,0,0,1,0,1|1,0,0]=3 1805 B11R2.36 O=C1CCC2C(N1)CNC2 1P01DW0Z [0,0,0,1,0,1|2,0,0]=4 1806 B11R2.36 O=C1CCN2C(C1)CCC2 1P00BJIG [0,0,0,1,0,1|2,0,0]=4 1807 B11R2.36 O=C1CC[C@H]2[C@@H](C1)CCC2 1P00NQDF [0,0,0,1,0,1|1,0,0]=3 1808 B11R2.36 O=C1NCC2N(C1)CCC2 1P001X1P [0,0,0,1,0,1|2,0,0]=4 1809 B11R2.357 O=C1CCC2CC1CCC2 1P01G8FV [0,0,0,1,0,1|1,0,0]=3 1810 B11R2.357 O=C1CCC2CC1NCC2 1P01FJPM [0,0,0,1,0,1|2,0,0]=4 1811 B11R2.357 O=C1CCC2CN1CCC2 1P005YLW [0,0,0,1,0,1|1,0,0]=3 1812 B11R2.357 O=C1CCC2OC1CC=C2 1P01G9YN [0,0,0,1,0,1|0,0,2]=4 1813 B11R2.357 O=C1CCC2OC1CCC2 1P028C2V [0,0,0,1,0,1|0,0,0]=2 1814 B11R2.357 O=C1CCN2CC1CCC2 1P00EPQ9 [0,0,0,1,0,1|2,0,0]=4 1815 B11R2.357 O=C1NCC2NC1CCC2 1P028MJO [0,0,0,1,0,1|2,0,0]=4 1816 B11R2.357 O[C@@H]1CC[C@H]2O[C@@H]1CCC2 1P028YZR [0,0,0,1,0,1|0,0,2]=4 1817 B11R2.742 O=C1CCC2(CC1)CCC2 1P0032H1 [0,0,0,1,0,1|1,0,0]=3 1818 B11R2.742 O=C1CCC2(CC1)CCO2 1P00ILUR [0,0,0,1,0,1|2,0,0]=4 1819 B11R2.742 O=C1CCC2(CC1)CCS2 1P0287NF [0,0,0,1,0,1|2,0,0]=4 1820 B11R2.742 O=C1CCC2(CC1)COC2 1P000OQB [0,0,0,1,0,1|2,0,0]=4 1821 B11R2.742 O=C1CCC2(CC1)CSC2 1P01C7K9 [0,0,0,1,0,1|2,0,0]=4 1822 B11R2.742 O=C1CCC2(CN1)CNC2 1P01Z9Q9 [0,0,0,1,0,1|2,0,0]=4 1823 B11R2.742 O=C1CCC2(CN1)CNC2 1P028DJD [0,0,0,1,0,1|2,0,0]=4 1824 B11R2.742 O=C1CCC2(CN1)COC2 1P0293DT [0,0,0,1,0,1|2,0,0]=4 1825 B11R2.742 O=C1NCC2(CO1)CNC2 1P027VSK [0,0,0,1,0,1|2,0,0]=4 1826 B11R2.742 O=C1NCC2(NC1)CCC2 1P0286TA [0,0,0,1,0,1|2,0,0]=4 1827 B11R2.742 O=C1NCC2(OC1)CCC2 1P01FLUR [0,0,0,1,0,1|1,0,0]=3 1828 B11R2.742 O=C1NCC2(OC1)CNC2 1P028LSV [0,0,0,1,0,1|2,0,0]=4 1829 B11R2.35 CC1CNCC(O1)C2CC2 1P01BGU9 [0,0,0,1,0,1|1,0,1]=4 1830 B11R2.35 O=C1CCCC(C1)C2CC2 1P01AKDI [0,0,0,1,0,1|1,0,0]=3 1831 B11R2.35 O=C1CCCC(N1)C2CC2 1P028CUV [0,0,0,1,0,1|1,0,0]=3 1832 B11R2.35 O=C1CCNC(C1)C2CC2 1P01C3FZ [0,0,0,1,0,1|1,0,0]=3 1833 B11R2.35 O=C1COC[C@@H](N1)C2CC2 1P023Q5A [0,0,0,1,0,1|1,0,0]=3 1834 B11R2.35 O=C1COC[C@H](N1)C2CC2 1P023Q5B [0,0,0,1,0,1|1,0,0]=3 1835 B11R2.48 O=C1CN2CCCC1CC2 1P02821P [0,0,0,1,0,1|2,0,0]=4 1836 B11R2.48 O=C1NC2CNCC1CC2 1P027W05 [0,0,0,1,0,1|2,0,0]=4 1837 B11R2.48 O=C1N[C@@H]2CNC[C@H]1CC2 1P00J34G [0,0,0,1,0,1|2,0,0]=4 1838 B11R2.106 O=C1CCCN2C1CCC2 1P006XVL [0,0,0,1,0,1|2,0,0]=4 1839 B11R2.106 O=C1CCNC2C1CCC2 1P009343 [0,0,0,1,0,1|1,0,0]=3 1840 B11R2.106 O=C1CCNC2N1CCC2 1P01EIG3 [0,0,0,1,0,1|1,0,0]=3 1841 B11R2.106 O=C1CNCC2N1CCC2 1P00018J [0,0,0,1,0,1|1,0,0]=3 1842 B11R2.106 O=C1CNC[C@@H]2N1CCC2 1P009KG0 [0,0,0,1,0,1|1,0,0]=3 1843 B11R2.106 O=C1CNC[C@H]2N1CCC2 1P009KGU [0,0,0,1,0,1|1,0,0]=3 1844 B11R2.106 O=C1NCCN2C1CCC2 1P001X1Q [0,0,0,1,0,1|2,0,0]=4 1845 B11R2.106 O=C1NCC[C@H]2[C@@H]1CCO2 1P01C7U6 [0,0,0,1,0,1|2,0,0]=4 1846 B11R2.106 O=C1NNC[C@H]2[C@@H]1CCC2 1P027ZDS [0,0,0,1,0,1|2,0,0]=4 1847 B11R2.106 O=C1OCCC2C1NCC2 1P01A3GX [0,0,0,1,0,1|2,0,0]=4 1848 B11R2.106 O=C1OCC[C@H]2[C@@H]1CNC2 1P028M68 [0,0,0,1,0,1|2,0,0]=4 1849 B11R2.350 COCC1C2C1CCC2=O 1P01BBB8 [0,0,0,1,0,1|2,0,0]=4 1850 B11R2.350 COC[C@H]1[C@H]2[C@@H]1CCC2=O 1P027WH4 [0,0,0,1,0,1|2,0,0]=4 1851 B11R2.434 O=C1C[C@@H]2C[C@H]([C@H](C1)C2)O 1P028D6T [0,0,0,1,0,1|2,0,0]=4 1852 B11R2.434 O=C1N[C@@H]2C[C@H]([C@H](O1)C2)N 1P0288F2 [0,0,0,1,0,1|2,0,0]=4 1853 B11R2.434 O=C1N[C@@H]2C[C@H]([C@H](O1)C2)N 1P0290EQ [0,0,0,1,0,1|2,0,0]=4 1854 B11R2.678 C=C1CC2CCCC(C1)N2 1P027TW1 [0,0,0,1,0,1|2,0,0]=4 1855 B11R2.678 CC1=CC2NC(C1)CCC2 1P028IWF [0,0,0,1,0,1|2,0,0]=4 1856 B11R2.678 O=C1CC2CCCC(C1)C2 1P000263 [0,0,0,1,0,1|1,0,0]=3 1857 B11R2.678 O=C1CC2CCCC(C1)N2 1P0037XD [0,0,0,1,0,1|1,0,0]=3 1858 B11R2.678 O=C1CC2CCCC(C1)N2 1P003O0X [0,0,0,1,0,1|1,0,0]=3 1859 B11R2.678 O=C1CC2CCCC(C1)S2 1P006KOP [0,0,0,1,0,1|1,0,0]=3 1860 B11R2.678 O=C1CC2CCCN(C1)C2 1P00BMVM [0,0,0,1,0,1|1,0,0]=3 1861 B11R2.678 O=C1CC2CNCC(C1)C2 1P0284QI [0,0,0,1,0,1|2,0,0]=4 1862 B11R2.678 O=C1CC2COCC(C1)N2 1P003KB8 [0,0,0,1,0,1|2,0,0]=4 1863 B11R2.678 O=C1CC2CSCC(C1)N2 1P00IL2W [0,0,0,1,0,1|2,0,0]=4 1864 B11R2.1478 CC1CNCC2(O1)CCC2 1P01C5N3 [0,0,0,1,0,1|1,0,1]=4 1865 B11R2.1478 O=C1C=CCC2(C1)CCC2 1P01G7AL [0,0,0,1,0,1|1,0,1]=4 1866 B11R2.1478 O=C1CCCC2(C1)CCC2 1P00NWSE [0,0,0,1,0,1|1,0,0]=3 1867 B11R2.1478 O=C1CCCC2(N1)CCC2 1P024V1U [0,0,0,1,0,1|1,0,0]=3 1868 B11R2.1478 O=C1CCNC2(C1)CCC2 1P01C3Q3 [0,0,0,1,0,1|1,0,0]=3 1869 B11R2.1478 O=C1CCNC2(C1)CCC2 1P024TR3 [0,0,0,1,0,1|1,0,0]=3 1870 B11R2.1478 O=C1CCOC2(C1)CCC2 1P01BBHQ [0,0,0,1,0,1|1,0,0]=3 1871 B11R2.1478 O=C1CNCC2(N1)CCC2 1P00ILW8 [0,0,0,1,0,1|1,0,0]=3 1872 B11R2.1478 O=C1CNCC2(N1)COC2 1P028AWO [0,0,0,1,0,1|2,0,0]=4 1873 B11R2.1478 O=C1COCC2(N1)CCC2 1P018IKA [0,0,0,1,0,1|1,0,0]=3 1874 B11R2.1478 O=C1COCC2(N1)CNC2 1P0280R4 [0,0,0,1,0,1|2,0,0]=4 1875 B11R2.1478 O=C1NCCC2(C1)CCC2 1P01KKJW [0,0,0,1,0,1|1,0,0]=3 1876 B11R2.1478 O=C1NCCC2(C1)COC2 1P01SHN5 [0,0,0,1,0,1|2,0,0]=4 1877 B11R2.1478 O=C1NCCC2(N1)CNC2 1P028HS1 [0,0,0,1,0,1|2,0,0]=4 1878 B11R2.1478 O=C1NCCC2(O1)CNC2 1P01EIFO [0,0,0,1,0,1|1,0,0]=3 1879 B11R2.1478 O=C1OCCC2(C1)CCC2 1P01C69D [0,0,0,1,0,1|1,0,0]=3 1880 B11R2.1478 O=C1OCCC2(N1)CNC2 1P01C655 [0,0,0,1,0,1|2,0,0]=4 1881 B11R2.60 O=C1CCC2C1CCC2=O 1P005HXF [0,1,0,1,0,0|1,0,1]=4 1882 B11R2.66 O=C1C[C@H]2[C@@H](O1)[C@@H](CC2)O 1P028S1F [0,1,0,1,0,0|0,0,0]=2 1883 B11R2.66 O[C@@H]1C[C@@H]2N(C1)C(=O)OC2 1P00OJCR [0,1,0,1,0,0|2,0,0]=4 1884 B11R2.66 O[C@H]1C[C@@H]2N(C1)C(=O)NC2 1P028A0F [0,1,0,1,0,0|2,0,0]=4 1885 B11R2.68 IC1CCC2CC1OC2=O 1P00G82Y [0,1,0,1,0,0|0,0,0]=2 1886 B11R2.162 CO[C@@H]1C[C@H]2C[C@@H]1CC2=O 1P028OB8 [0,1,0,1,0,0|2,0,0]=4 1887 B11R2.214 COC1C[C@H]2[C@@H]1CC(=O)C2 1P0289G9 [0,1,0,1,0,0|1,0,0]=3 1888 B11R2.352 O=C1CC[C@H](N1)C2CCC2 1P028H5C [0,1,0,1,0,0|1,0,0]=3 1889 B11R2.352 O=C1NCC(C1)C2CCC2 1P00BIQ9 [0,1,0,1,0,0|2,0,0]=4 1890 B11R2.474 O=C1CCCC2OC1CC2 1P028GPP [0,1,0,1,0,0|0,0,1]=3 1891 B11R2.738 O=C1NC2CC1C(C2O)O 1P019FDA [0,1,0,1,0,0|2,0,0]=4 1892 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O 1P01WTQ5 [0,1,0,1,0,0|2,0,0]=4 1893 B11R2.1 O=C1CCC2C1CCCC2 1P00CFXK [0,1,0,1,0,0|1,0,0]=3 1894 B11R2.1 O=C1CCC2C1SCCS2 1P01A345 [0,1,0,1,0,0|2,0,0]=4 1895 B11R2.1 O=C1CCC2N1CCCC2 1P007LJM [0,1,0,1,0,0|1,0,0]=3 1896 B11R2.1 O=C1CCC2N1CCNC2 1P007R7N [0,1,0,1,0,0|1,0,0]=3 1897 B11R2.1 O=C1CCC2N1CCNC2 1P008XQM [0,1,0,1,0,0|1,0,0]=3 1898 B11R2.1 O=C1CCC2N1CCNC2 1P028C9R [0,1,0,1,0,0|1,0,0]=3 1899 B11R2.1 O=C1CCN2C1CCCC2 1P019XJT [0,1,0,1,0,0|2,0,0]=4 1900 B11R2.1 O=C1CC[C@@H]2N1CCNC2 1P00AO1W [0,1,0,1,0,0|1,0,0]=3 1901 B11R2.1 O=C1CC[C@@H]2N1CCNC2 1P01K6TF [0,1,0,1,0,0|1,0,0]=3 1902 B11R2.1 O=C1CC[C@H]2N1CCNC2 1P007XAW [0,1,0,1,0,0|1,0,0]=3 1903 B11R2.1 O=C1CC[C@H]2N1CCNC2 1P009KG1 [0,1,0,1,0,0|1,0,0]=3 1904 B11R2.1 O=C1NCC2C1CCCC2 1P00BVXP [0,1,0,1,0,0|2,0,0]=4 1905 B11R2.1 O=C1NCC2N1CCCC2 1P019YMC [0,1,0,1,0,0|2,0,0]=4 1906 B11R2.1 O=C1NCC2N1CCNC2 1P019YRG [0,1,0,1,0,0|2,0,0]=4 1907 B11R2.1 O=C1NC[C@@H]2[C@H]1CNCC2 1P00IEP5 [0,1,0,1,0,0|2,0,0]=4 1908 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCC2 1P00865D [0,1,0,1,0,0|2,0,0]=4 1909 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 1P01DT98 [0,1,0,1,0,0|2,0,0]=4 1910 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 1P028LYX [0,1,0,1,0,0|2,0,0]=4 1911 B11R2.1 O=C1NC[C@H]2[C@@H]1CCNC2 1P01C64V [0,1,0,1,0,0|2,0,0]=4 1912 B11R2.1 O=C1NC[C@H]2[C@@H]1CNCC2 1P00IEP4 [0,1,0,1,0,0|2,0,0]=4 1913 B11R2.1 O=C1OCC2C1CCCC2 1P01DU6Y [0,1,0,1,0,0|2,0,0]=4 1914 B11R2.1 O=C1OCC2C1CCNC2 1P028J46 [0,1,0,1,0,0|2,0,0]=4 1915 B11R2.1 O=C1OCC2N1CCNC2 1P0006VV [0,1,0,1,0,0|2,0,0]=4 1916 B11R2.1 O=C1OC[C@@H]2N1CCNC2 1P009Y13 [0,1,0,1,0,0|2,0,0]=4 1917 B11R2.1 O=C1OC[C@H]2N1CCNC2 1P00IJY6 [0,1,0,1,0,0|2,0,0]=4 1918 B11R2.1 O=C1OC[C@H]2[C@@H]1CCCC2 1P005N8F [0,1,0,1,0,0|2,0,0]=4 1919 B11R2.10 O=C1CC2C(=C1)CCCC2 1P01E7HW [0,1,0,1,0,0|1,0,1]=4 1920 B11R2.10 O=C1CC2C(C1)CC=CC2 1P028MXO [0,1,0,1,0,0|1,0,1]=4 1921 B11R2.10 O=C1CC2C(C1)CCCC2 1P01BJW6 [0,1,0,1,0,0|1,0,0]=3 1922 B11R2.10 O=C1CC2C(N1)CCNC2 1P028R5V [0,1,0,1,0,0|1,0,0]=3 1923 B11R2.10 O=C1CC2N(C1)CCCC2 1P01A36Q [0,1,0,1,0,0|2,0,0]=4 1924 B11R2.10 O=C1CC2N(C1)CCCC2 1P01EKB9 [0,1,0,1,0,0|2,0,0]=4 1925 B11R2.10 O=C1CC2N(N1)CCCC2 1P0280KY [0,1,0,1,0,0|2,0,0]=4 1926 B11R2.10 O=C1C[C@H]2[C@@H](N1)CCCC2 1P009L8O [0,1,0,1,0,0|1,0,0]=3 1927 B11R2.10 O=C1NC2C(O1)CNCC2 1P00IL47 [0,1,0,1,0,0|1,0,0]=3 1928 B11R2.10 O=C1N[C@@H]2[C@@H](O1)CCCC2 1P028M7D [0,1,0,1,0,0|1,0,0]=3 1929 B11R2.10 O=C1N[C@@H]2[C@H](O1)CCNC2 1P00J3QV [0,1,0,1,0,0|1,0,0]=3 1930 B11R2.10 O=C1N[C@H]2[C@@H](O1)CNCC2 1P0293A9 [0,1,0,1,0,0|1,0,0]=3 1931 B11R2.10 O=C1OC2C(O1)CCCC2 1P00JA4N [0,1,0,1,0,0|1,0,0]=3 1932 B11R2.10 O=C1OC2C(O1)CCNC2 1P01FK10 [0,1,0,1,0,0|1,0,0]=3 1933 B11R2.10 O=C1O[C@@H]2[C@H](O1)CNOC2 1P028P17 [0,1,0,1,0,0|2,0,0]=4 1934 B11R2.16 NCC1CC2CCC(C1)O2 1P00IKSP [0,1,0,1,0,0|1,0,1]=4 1935 B11R2.67 O=C1CCC2N1C(=O)CC2 1P00B6WJ [0,1,0,1,0,0|1,0,1]=4 1936 B11R2.748 O=C1CCC2(C1)COCC2 1P028O1P [0,1,0,1,0,0|1,0,0]=3 1937 B11R2.748 O=C1CCC2(C1)OCCO2 1P009476 [0,1,0,1,0,0|2,0,0]=4 1938 B11R2.748 O=C1CCC2(N1)CNCC2 1P001PCB [0,1,0,1,0,0|1,0,0]=3 1939 B11R2.748 O=C1CNC2(C1)CCCC2 1P02815B [0,1,0,1,0,0|2,0,0]=4 1940 B11R2.748 O=C1COC2(C1)CCCC2 1P0205LV [0,1,0,1,0,0|2,0,0]=4 1941 B11R2.748 O=C1COC2(C1)CNCC2 1P028NKG [0,1,0,1,0,0|2,0,0]=4 1942 B11R2.748 O=C1NCC2(C1)CCCC2 1P005VG2 [0,1,0,1,0,0|2,0,0]=4 1943 B11R2.748 O=C1NCC2(C1)CNCC2 1P009ZHR [0,1,0,1,0,0|2,0,0]=4 1944 B11R2.748 O=C1NCC2(C1)CNCC2 1P00IL56 [0,1,0,1,0,0|2,0,0]=4 1945 B11R2.748 O=C1NCC2(C1)COCC2 1P019ZXJ [0,1,0,1,0,0|2,0,0]=4 1946 B11R2.748 O=C1NCC2(N1)CNCC2 1P027UQ1 [0,1,0,1,0,0|2,0,0]=4 1947 B11R2.748 O=C1NCC2(O1)CCCC2 1P01A5O7 [0,1,0,1,0,0|1,0,0]=3 1948 B11R2.748 O=C1NCC2(O1)CNCC2 1P00J2SV [0,1,0,1,0,0|1,0,0]=3 1949 B11R2.748 O=C1OCC2(C1)CCCC2 1P01AGNF [0,1,0,1,0,0|2,0,0]=4 1950 B11R2.748 O=C1OCC2(N1)CCCC2 1P0200IX [0,1,0,1,0,0|2,0,0]=4 1951 B11R2.748 O=C1OCC2(N1)CNCC2 1P0281ME [0,1,0,1,0,0|2,0,0]=4 1952 B11R2.139 NC1C[C@@H]2[C@H](C1)OC(=O)O2 1P028M3U [0,1,0,1,0,0|1,0,0]=3 1953 B11R2.139 O=C1CC2C(C1)CC(=O)C2 1P00FCQ2 [0,1,0,1,0,0|1,0,1]=4 1954 B11R2.139 O=C1C[C@@H]2[C@H](C1)CC(=O)C2 1P00DCCE [0,1,0,1,0,0|1,0,1]=4 1955 B11R2.139 OC1C[C@@H]2[C@H](C1)OC(=O)O2 1P027YXJ [0,1,0,1,0,0|1,0,0]=3 1956 B11R2.139 O[C@@H]1C[C@H]2[C@@H](C1)CC(=O)C2 1P01DX39 [0,1,0,1,0,0|1,0,0]=3 1957 B11R2.747 NC1CC2(C1)CNC(=O)C2 1P01FKB1 [0,1,0,1,0,0|2,0,0]=4 1958 B11R2.747 NC1CC2(C1)CNC(=O)O2 1P028JEM [0,1,0,1,0,0|1,0,0]=3 1959 B11R2.747 N[C@@H]1C[C@]2(C1)CNC(=O)O2 1P027ZAE [0,1,0,1,0,0|1,0,0]=3 1960 B11R2.747 OC1CC2(C1)CNC(=O)C2 1P01FI5Y [0,1,0,1,0,0|2,0,0]=4 1961 B11R2.747 O[C@@H]1C[C@]2(C1)CNC(=O)O2 1P028B9G [0,1,0,1,0,0|1,0,0]=3 1962 B11R2.8 N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2 1P0287CA [0,1,0,1,0,0|0,0,0]=2 1963 B11R2.368 CN1C2CNCC(C1=O)C2 1P0283RS [0,1,0,1,0,0|2,0,0]=4 1964 B11R2.368 O=C1C2NCCC(N1C)C2 1P028468 [0,1,0,1,0,0|2,0,0]=4 1965 B11R2.1073 O=C1NCC(C1C)C2CC2 1P01DWL6 [0,1,0,1,0,0|2,0,0]=4 1966 B11R2.15 O=NN1C[C@@H]2[C@H](C1)CCC2 1P028UFB [0,1,0,1,0,0|2,0,0]=4 1967 B11R2.21 BrCC1CCC(O1)C2CC2 1P01BJVZ [0,1,0,1,0,0|1,0,1]=4 1968 B11R2.21 ICC1CCC(O1)C2CC2 1P01BITG [0,1,0,1,0,0|1,0,1]=4 1969 B11R2.21 NCC1CCC(O1)C2CC2 1P01BJP6 [0,1,0,1,0,0|1,0,1]=4 1970 B11R2.1009 ICC1CCC2(O1)CCC2 1P01BUOD [0,1,0,1,0,0|1,0,1]=4 1971 B11R2.1009 O=CC1CCC2(O1)CCC2 1P027XAY [0,1,0,1,0,0|0,0,1]=3 1972 B11R2.1009 OCC1CCC2(O1)CCC2 1P027Y13 [0,1,0,1,0,0|0,0,2]=4 1973 B11R2.356 CC1CC(=O)CN1C2CC2 1P019ZIA [0,1,0,1,0,0|2,0,0]=4 1974 B11R2.621 CC1NC(=O)OC12CNC2 1P028LX0 [0,1,0,1,0,0|2,0,0]=4 1975 B11R2.621 O=C1CC(=O)C2(N1)CCC2 1P01BD30 [0,1,0,1,0,0|1,0,1]=4 1976 B11R2.355 O=C1CN(CC1C)C2CC2 1P019ZND [0,1,0,1,0,0|2,0,0]=4 1977 B11R2.698 CN1CC2(OC1=O)CNC2 1P001KCK [0,1,0,1,0,0|2,0,0]=4 1978 B11R2.698 CN1CC2(OC1=O)CNC2 1P01C3NJ [0,1,0,1,0,0|2,0,0]=4 1979 B11R2.698 CN1CC2(OC1=O)CNC2 1P027OYT [0,1,0,1,0,0|2,0,0]=4 1980 B11R2.126 O=C1CCC2(N1CCN2)C 1P00I4NO [0,1,0,1,0,0|2,0,0]=4 1981 B11R2.1074 O=C1NCC(C1)(C)C2CC2 1P006AOS [0,1,0,1,0,0|2,0,0]=4 1982 B11R3.97 O=C1CC2C3C1C3CC2 1P02935H [0,0,0,2,0,0|1,0,0]=3 1983 B11R3.19 O=C1N[C@@H]2C[C@H]1[C@@H]3[C@H]2C3 1P028H6K [0,0,0,2,0,0|1,0,0]=3 1984 B7R0.5 CC(=O)C(CCBr)Br 1P01DX0N [0,0,1,0,1,0|2,0,0]=4 1985 B7R0.5 CC(=O)C(CCBr)F 1P00ELFB [0,0,1,0,1,0|2,0,0]=4 1986 B7R0.5 CC(=O)C(CCCl)Cl 1P00EM1D [0,0,1,0,1,0|2,0,0]=4 1987 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [0,0,1,0,1,0|2,0,0]=4 1988 B7R0.5 CC(C(=N)N)CCC 1P01AVJM [0,0,1,0,1,0|2,0,0]=4 1989 B7R0.5 CC(C(=O)C)CC=C 1P01AAP2 [0,0,1,0,1,0|0,0,2]=4 1990 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [0,0,1,0,1,0|1,0,0]=3 1991 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [0,0,1,0,1,0|1,0,0]=3 1992 B7R0.5 CC(C(=O)N)CCC 1P00607Q [0,0,1,0,1,0|1,0,0]=3 1993 B7R0.5 CC(C(=O)N)CCO 1P0077PI [0,0,1,0,1,0|2,0,0]=4 1994 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [0,0,1,0,1,0|2,0,0]=4 1995 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [0,0,1,0,1,0|1,0,0]=3 1996 B7R0.5 CC(C(=O)O)CCN 1P007QFU [0,0,1,0,1,0|2,0,0]=4 1997 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [0,0,1,0,1,0|2,0,0]=4 1998 B7R0.5 CC(C(=O)O)COC 1P007XM3 [0,0,1,0,1,0|2,0,0]=4 1999 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [0,0,1,0,1,0|2,0,0]=4 2000 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [0,0,1,0,1,0|2,0,0]=4 2001 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [0,0,1,0,1,0|2,0,0]=4 2002 B7R0.5 CC(C(=O)O)SCC 1P002A2O [0,0,1,0,1,0|2,0,0]=4 2003 B7R0.5 CC(S(=O)C)CCN 1P01A1CY [0,0,1,0,1,0|2,0,0]=4 2004 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [0,0,1,0,1,0|1,0,1]=4 2005 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [0,0,1,0,1,0|1,0,0]=3 2006 B7R0.5 CCCC(C(=O)N)Br 1P02852A [0,0,1,0,1,0|2,0,0]=4 2007 B7R0.5 CCCC(C(=O)N)N 1P01B51A [0,0,1,0,1,0|2,0,0]=4 2008 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [0,0,1,0,1,0|2,0,0]=4 2009 B7R0.5 CCCC(C(=O)O)F 1P00B18T [0,0,1,0,1,0|2,0,0]=4 2010 B7R0.5 CCCC(C(=O)O)N 1P0036YR [0,0,1,0,1,0|2,0,0]=4 2011 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [0,0,1,0,1,0|2,0,0]=4 2012 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [0,0,1,0,1,0|2,0,0]=4 2013 B7R0.5 CCCC(C(N)C)C 1P01KJEJ [0,0,1,0,1,0|1,0,1]=4 2014 B7R0.5 CCCC(C(O)C)C 1P002MQU [0,0,1,0,1,0|0,0,2]=4 2015 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [0,0,1,0,1,0|2,0,0]=4 2016 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [0,0,1,0,1,0|2,0,0]=4 2017 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [0,0,1,0,1,0|2,0,0]=4 2018 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [0,0,1,0,1,0|2,0,0]=4 2019 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [0,0,1,0,1,0|2,0,0]=4 2020 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [0,0,1,0,1,0|2,0,0]=4 2021 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [0,0,1,0,1,0|2,0,0]=4 2022 B7R0.5 CN(C(=O)C)CCCl 1P01G5MO [0,0,1,0,1,0|2,0,0]=4 2023 B7R0.5 CN(C(=O)C)CCN 1P00H55D [0,0,1,0,1,0|2,0,0]=4 2024 B7R0.5 CN(C(=O)C)CCO 1P001OKA [0,0,1,0,1,0|2,0,0]=4 2025 B7R0.5 CN(C(=O)Cl)CCC 1P00E2CP [0,0,1,0,1,0|2,0,0]=4 2026 B7R0.5 COCC(C(=O)C)C 1P00AXOM [0,0,1,0,1,0|1,0,0]=3 2027 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [0,0,1,0,1,0|2,0,0]=4 2028 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [0,0,1,0,1,0|2,0,0]=4 2029 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [0,0,1,0,1,0|2,0,0]=4 2030 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [0,0,1,0,1,0|2,0,0]=4 2031 B7R0.5 ClCCC(C(=O)Cl)C 1P00I9PJ [0,0,1,0,1,0|2,0,0]=4 2032 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [0,0,1,0,1,0|2,0,0]=4 2033 B7R1.8 CCC1CCC1=O 1P008TOV [1,0,0,0,1,0|0,0,0]=2 2034 B7R1.8 CNC1CNC1=O 1P028A60 [1,0,0,0,1,0|2,0,0]=4 2035 B7R1.8 COC1CCC1=O 1P01JVE1 [1,0,0,0,1,0|1,0,0]=3 2036 B7R1.8 CSC1CCC1=O 1P01C4DE [1,0,0,0,1,0|1,0,0]=3 2037 B7R1.8 OCC1CCC1=O 1P00I4ZH [1,0,0,0,1,0|1,0,0]=3 2038 B7R1.10 BrCC1CC(=O)C1 1P00DQGD [1,0,0,0,1,0|2,0,0]=4 2039 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [1,0,0,0,1,0|1,0,0]=3 2040 B7R1.10 CCC1CC(=O)C1 1P00EUCH [1,0,0,0,1,0|1,0,0]=3 2041 B7R1.10 COC1CC(=O)C1 1P0031WV [1,0,0,0,1,0|2,0,0]=4 2042 B7R1.10 CSC1CC(=O)C1 1P01C0J1 [1,0,0,0,1,0|2,0,0]=4 2043 B7R1.10 ClCC1CC(=O)C1 1P0020KN [1,0,0,0,1,0|2,0,0]=4 2044 B7R1.10 FCC1CC(=O)C1 1P018JAY [1,0,0,0,1,0|2,0,0]=4 2045 B7R1.10 ICC1CC(=O)N1 1P008PV6 [1,0,0,0,1,0|2,0,0]=4 2046 B7R1.10 NCC1CC(=O)C1 1P001H61 [1,0,0,0,1,0|2,0,0]=4 2047 B7R1.10 OCC1CC(=O)C1 1P00288D [1,0,0,0,1,0|2,0,0]=4 2048 B7R1.10 OCC1CC(=O)N1 1P00FCZO [1,0,0,0,1,0|2,0,0]=4 2049 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [1,0,0,0,1,0|2,0,0]=4 2050 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [1,0,0,0,1,0|2,0,0]=4 2051 B7R1.6 BrCCC1CCC1 1P01C4OF [1,0,0,0,1,0|1,0,1]=4 2052 B7R1.6 CCCC1CCS1 1P01HA0Z [1,0,0,0,1,0|0,1,0]=3 2053 B7R1.6 CCCC1CNC1 1P01JM7C [1,0,0,0,1,0|1,0,1]=4 2054 B7R1.6 CCCC1CNC1 1P01JWSU [1,0,0,0,1,0|1,0,1]=4 2055 B7R1.6 CCNC1CCC1 1P018SF4 [1,0,0,0,1,0|1,0,1]=4 2056 B7R1.6 CNCC1CCC1 1P009Z7Q [1,0,0,0,1,0|1,0,1]=4 2057 B7R1.6 CNCC1CCC1 1P00J3LC [1,0,0,0,1,0|1,0,1]=4 2058 B7R1.6 CNCC1CCN1 1P028WB2 [1,0,0,0,1,0|2,0,0]=4 2059 B7R1.6 CNCC1CCO1 1P01XAB4 [1,0,0,0,1,0|1,0,0]=3 2060 B7R1.6 CNC[C@@H]1CCO1 1P0285XI [1,0,0,0,1,0|1,0,0]=3 2061 B7R1.6 CNC[C@H]1CCO1 1P028S78 [1,0,0,0,1,0|1,0,0]=3 2062 B7R1.6 COCC1CCN1 1P000Z8C [1,0,0,0,1,0|2,0,0]=4 2063 B7R1.6 COCC1CCN1 1P01AMGU [1,0,0,0,1,0|2,0,0]=4 2064 B7R1.6 COC[C@@H]1CCN1 1P00II4T [1,0,0,0,1,0|2,0,0]=4 2065 B7R1.6 COC[C@H]1CCN1 1P00II4W [1,0,0,0,1,0|2,0,0]=4 2066 B7R1.6 ICCC1CCC1 1P028IQG [1,0,0,0,1,0|1,0,1]=4 2067 B7R1.6 ICCC1CCO1 1P01JUQV [1,0,0,0,1,0|1,0,0]=3 2068 B7R1.6 NCCC1CCC1 1P00EA85 [1,0,0,0,1,0|1,0,1]=4 2069 B7R1.6 NCCC1CCC1 1P00J2Q0 [1,0,0,0,1,0|1,0,1]=4 2070 B7R1.6 NCCC1CCO1 1P00ILQY [1,0,0,0,1,0|1,0,0]=3 2071 B7R1.6 NCC[C@@H]1CCO1 1P01JUR4 [1,0,0,0,1,0|1,0,0]=3 2072 B7R1.6 OCCC1CCC1 1P003AJ0 [1,0,0,0,1,0|1,0,1]=4 2073 B7R1.6 OCCC1CCO1 1P00ILI6 [1,0,0,0,1,0|1,0,0]=3 2074 B7R1.6 OCC[C@@H]1CCO1 1P01JUSQ [1,0,0,0,1,0|1,0,0]=3 2075 B7R1.6 SCCC1CCC1 1P0291DM [1,0,0,0,1,0|1,0,1]=4