0 B7R0.4 BrCCCCC(=C)C 1P028CFP [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 BrCCCCC(=O)C 1P0007J6 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 BrCCCCC(=O)O 1P002J3W [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 BrCCOCC(=O)O 1P00HD6T [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C#CCCCC(=O)C 1P01BVPS [0,0,0,0,0,0|0,0,4]=4 7 B7R0.4 CC#CCOC(=O)C 1P003P1Q [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 CC(=O)NCCC#C 1P01C3FB [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 CC(=O)NCCC#N 1P007VIH [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CC(=O)NCCCBr 1P019XXZ [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 CC(=O)NCCCCl 1P001DGW [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 CC(=O)NCCCN 1P00CJ9K [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CC(=O)NCCCN 1P00DL1J [0,0,0,0,0,0|2,0,1]=3 14 B7R0.4 CC(=O)NCCCO 1P009RY1 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.4 CC(=O)OC=CC=C 1P001NUC [0,0,0,0,0,0|1,0,3]=4 16 B7R0.4 CC(=O)OCCC=C 1P001Q0I [0,0,0,0,0,0|1,0,3]=4 17 B7R0.4 CC(=O)OCCCCl 1P003JS4 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.4 CC(=O)OCCCI 1P00EKA4 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CC(=O)SCCC#N 1P000IRD [0,0,0,0,0,0|2,0,2]=4 20 B7R0.4 CC(=O)SCCCCl 1P000UI6 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.4 CC(=O)SCCCO 1P01DU4A [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 CCC#CCC(=O)O 1P00269H [0,0,0,0,0,0|1,0,3]=4 23 B7R0.4 CCCC#CC(=O)O 1P003HTY [0,0,0,0,0,0|1,0,2]=3 24 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [0,0,0,0,0,0|0,0,0]=0 25 B7R0.4 CCCCCC(=N)N 1P00J1UF [0,0,0,0,0,0|2,0,2]=4 26 B7R0.4 CCCCCC(=N)N 1P028M17 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.4 CCCCCC(=O)C 1P0033SO [0,0,0,0,0,0|0,0,2]=2 28 B7R0.4 CCCCCC(=O)Cl 1P003RDM [0,0,0,0,0,0|1,0,2]=3 29 B7R0.4 CCCCCC(=O)N 1P003RDF [0,0,0,0,0,0|1,0,2]=3 30 B7R0.4 CCCCCC(=O)O 1P0035GM [0,0,0,0,0,0|1,0,2]=3 31 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [0,0,0,0,0,0|1,0,2]=3 32 B7R0.4 CCCCCC(=S)N 1P001WHQ [0,0,0,0,0,0|1,1,2]=4 33 B7R0.4 CCCCCC(C)C 1P003I61 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.4 CCCCCC(N)C 1P000KEH [0,0,0,0,0,0|1,0,3]=4 35 B7R0.4 CCCCCC(O)C 1P00DX8F [0,0,0,0,0,0|0,0,4]=4 36 B7R0.4 CCCCCN(C)C 1P028LRM [0,0,0,0,0,0|2,0,2]=4 37 B7R0.4 CCCCC[C@@H](O)C 1P003CX9 [0,0,0,0,0,0|0,0,4]=4 38 B7R0.4 CCCCC[C@H](O)C 1P003CKJ [0,0,0,0,0,0|0,0,4]=4 39 B7R0.4 CCCCC[N+](=O)[O-] 1P00EG5W [0,0,0,0,0,0|2,0,2]=4 40 B7R0.4 CCCCNC(=N)N 1P01BC8L [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CCCCNC(=O)C 1P007VII [0,0,0,0,0,0|1,0,1]=2 42 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [0,0,0,0,0,0|2,0,1]=3 43 B7R0.4 CCCCNC(=O)N 1P0035TZ [0,0,0,0,0,0|2,0,1]=3 44 B7R0.4 CCCCNC(=S)N 1P001NWF [0,0,0,0,0,0|2,1,1]=4 45 B7R0.4 CCCCNC(C)C 1P0076ZL [0,0,0,0,0,0|2,0,2]=4 46 B7R0.4 CCCCOC(=O)C 1P000KEE [0,0,0,0,0,0|1,0,1]=2 47 B7R0.4 CCCCOC(=O)N 1P003TBD [0,0,0,0,0,0|2,0,1]=3 48 B7R0.4 CCCCOC(=S)S 1P003UCL [0,0,0,0,0,0|2,1,1]=4 49 B7R0.4 CCCCOC(C)C 1P00B4WT [0,0,0,0,0,0|2,0,2]=4 50 B7R0.4 CCCCSC(=O)C 1P003UQS [0,0,0,0,0,0|1,0,1]=2 51 B7R0.4 CCCCSC(=O)Cl 1P001A84 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.4 CCCNCC(=O)N 1P01AM1O [0,0,0,0,0,0|2,0,1]=3 53 B7R0.4 CCCNCC(=O)O 1P019WR9 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.4 CCCNCC(C)C 1P00CLO1 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.4 CCCOCC(=O)O 1P00DDPU [0,0,0,0,0,0|2,0,1]=3 56 B7R0.4 CCCOCC(O)C 1P001PJO [0,0,0,0,0,0|1,0,3]=4 57 B7R0.4 CCCSCC(=O)C 1P01CANS [0,0,0,0,0,0|1,0,1]=2 58 B7R0.4 CCCSCC(=O)O 1P002AXA [0,0,0,0,0,0|2,0,1]=3 59 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [0,0,0,0,0,0|1,0,0]=1 60 B7R0.4 CCNCCC(=O)N 1P003IOR [0,0,0,0,0,0|2,0,2]=4 61 B7R0.4 CCNCCC(=O)O 1P019WSK [0,0,0,0,0,0|2,0,2]=4 62 B7R0.4 CCOC=CC(=O)Cl 1P01A0FZ [0,0,0,0,0,0|2,0,0]=2 63 B7R0.4 CCOC=CC(=O)O 1P003AAM [0,0,0,0,0,0|2,0,0]=2 64 B7R0.4 CCOCC=C(C)C 1P007Q3A [0,0,0,0,0,0|2,0,1]=3 65 B7R0.4 CCOCCC(=O)O 1P003JUP [0,0,0,0,0,0|2,0,2]=4 66 B7R0.4 CCO\C=C\C(=O)Cl 1P00IBEN [0,0,0,0,0,0|2,0,0]=2 67 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [0,0,0,0,0,0|2,0,0]=2 68 B7R0.4 CCSCCC(=O)Cl 1P0286NR [0,0,0,0,0,0|2,0,2]=4 69 B7R0.4 CCSCCC(=O)O 1P00FDIY [0,0,0,0,0,0|2,0,2]=4 70 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [0,0,0,0,0,0|1,0,2]=3 71 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.4 CNCC#CC(=O)O 1P01DRX9 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.4 CNCCC=C(Cl)Cl 1P028X8M [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CNCCC=C(F)F 1P028R9R [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CNCCCC(=O)O 1P0034AB [0,0,0,0,0,0|2,0,2]=4 76 B7R0.4 CNCCCC(=O)O 1P007DUH [0,0,0,0,0,0|2,0,2]=4 77 B7R0.4 CNCCNC(=O)C 1P01A2SE [0,0,0,0,0,0|2,0,1]=3 78 B7R0.4 CNCCNC(=O)C 1P01AF4E [0,0,0,0,0,0|2,0,1]=3 79 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.4 COCC#CC(=O)O 1P006X1E [0,0,0,0,0,0|2,0,2]=4 81 B7R0.4 COCC=CC(=O)O 1P01DNM5 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.4 COCCCC(=O)C 1P00B6HE [0,0,0,0,0,0|1,0,2]=3 83 B7R0.4 COCCCC(=O)N 1P027LNZ [0,0,0,0,0,0|2,0,2]=4 84 B7R0.4 COCCCC(=O)O 1P002VN5 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.4 COCCNC(=O)N 1P00C2MD [0,0,0,0,0,0|3,0,1]=4 86 B7R0.4 COCCOC(=O)Cl 1P003I0T [0,0,0,0,0,0|3,0,1]=4 87 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [0,0,0,0,0,0|2,0,0]=2 88 B7R0.4 CSCC=CC(=O)O 1P028A6U [0,0,0,0,0,0|2,0,0]=2 89 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [0,0,0,0,0,0|2,0,2]=4 90 B7R0.4 CSCCCC(=O)N 1P028VPN [0,0,0,0,0,0|2,0,2]=4 91 B7R0.4 CSCCCC(=O)O 1P00MDZI [0,0,0,0,0,0|2,0,2]=4 92 B7R0.4 CSCCNC(=O)N 1P005LMJ [0,0,0,0,0,0|3,0,1]=4 93 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [0,0,0,0,0,0|1,0,2]=3 94 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,0,0,0,0,0|0,0,2]=2 95 B7R0.4 C\C=C\C=C\C(=O)Cl 1P002SB9 [0,0,0,0,0,0|1,0,2]=3 96 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [0,0,0,0,0,0|1,0,2]=3 97 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P002PCF [0,0,0,0,0,0|1,0,2]=3 98 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P003UUR [0,0,0,0,0,0|1,0,2]=3 99 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P005GWB [0,0,0,0,0,0|1,0,2]=3 100 B7R0.4 C\C=C\COC(=O)C 1P005DY1 [0,0,0,0,0,0|1,0,3]=4 101 B7R0.4 ClCCCCC(=O)C 1P0007J5 [0,0,0,0,0,0|1,0,2]=3 102 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [0,0,0,0,0,0|2,0,2]=4 103 B7R0.4 ClCCCCC(=O)N 1P019Y9G [0,0,0,0,0,0|2,0,2]=4 104 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.4 ClCCCOC(=O)Cl 1P0037L1 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.4 ClCCOCC(=O)Cl 1P00C792 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.4 ClCCOCC(=O)N 1P00C72Z [0,0,0,0,0,0|3,0,1]=4 108 B7R0.4 ClCCOCC(=O)O 1P001LKW [0,0,0,0,0,0|3,0,1]=4 109 B7R0.4 ClCCSCC(=O)O 1P01I29B [0,0,0,0,0,0|3,0,1]=4 110 B7R0.4 FCCCCC(=O)[O-] 1P02875F [0,0,0,0,0,0|2,0,2]=4 111 B7R0.4 FCCCOC(=O)Cl 1P01C2QS [0,0,0,0,0,0|3,0,1]=4 112 B7R0.4 FCCOCC(=O)O 1P028UIA [0,0,0,0,0,0|3,0,1]=4 113 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.4 ICCCCC(=O)O 1P027L56 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.4 NC(=O)NCCCO 1P01AJ40 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.4 NCCC#CC(=O)O 1P024H4A [0,0,0,0,0,0|2,0,2]=4 117 B7R0.4 NCCCCC(=O)N 1P01A4SH [0,0,0,0,0,0|2,0,2]=4 118 B7R0.4 NCCCCC(=O)O 1P00390H [0,0,0,0,0,0|2,0,2]=4 119 B7R0.4 NCCCCC(=O)O 1P003MVH [0,0,0,0,0,0|2,0,2]=4 120 B7R0.4 NCCCCC(=O)O 1P00HZV1 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.4 NCCCCC(=O)O 1P01FNTV [0,0,0,0,0,0|2,0,2]=4 122 B7R0.4 NCCCNC(=O)N 1P01A01C [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 NCCCNC(=O)N 1P028XY4 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 NCCCOC(=O)N 1P028PLU [0,0,0,0,0,0|3,0,1]=4 125 B7R0.4 NCCNCC(=O)O 1P003SPC [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 NCCNCC(=O)O 1P01DWQH [0,0,0,0,0,0|3,0,1]=4 127 B7R0.4 NCCOCC(=C)C 1P01A0MM [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 NCCOCC(=O)N 1P01A0II [0,0,0,0,0,0|3,0,1]=4 129 B7R0.4 NCCOCC(=O)O 1P01A76U [0,0,0,0,0,0|3,0,1]=4 130 B7R0.4 NCCSCC(=O)O 1P00VUW5 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.4 O=C(N)CCNCC 1P01KEQK [0,0,0,0,0,0|2,0,2]=4 132 B7R0.4 O=CCCC=C(C)C 1P008QPA [0,0,0,0,0,0|2,0,2]=4 133 B7R0.4 OC(=O)CC=CCS 1P019UIY [0,0,0,0,0,0|2,0,2]=4 134 B7R0.4 OCCCCC(=O)C 1P00BGAI [0,0,0,0,0,0|1,0,2]=3 135 B7R0.4 OCCCCC(=O)N 1P002ZKN [0,0,0,0,0,0|2,0,2]=4 136 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [0,0,0,0,0,0|2,0,2]=4 137 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [0,0,0,0,0,0|2,0,2]=4 138 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.4 OCCOCC(=O)N 1P000KEF [0,0,0,0,0,0|3,0,1]=4 140 B7R0.4 OCCOCC(=O)O 1P0080QG [0,0,0,0,0,0|3,0,1]=4 141 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.4 SCCCCC(=O)O 1P002ZTK [0,0,0,0,0,0|2,0,2]=4 143 B7R0.4 [O-][N+](=O)NCCCC 1P01FG1U [0,0,0,0,0,0|3,0,1]=4 144 B6R0.4 BrCC=CC(C)C 1P006EUU [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 BrCCC=C(C)C 1P0034OC [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 BrCCC=C(F)F 1P001FOO [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 BrCCCC(=C)C 1P00I8IN [1,0,0,0,0,0|2,0,1]=4 148 B6R0.4 BrCCCC(=O)C 1P003N1I [1,0,0,0,0,0|1,0,1]=3 149 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.4 BrCCCC(=O)O 1P002SV1 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [1,0,0,0,0,0|2,0,0]=3 152 B6R0.4 C#CCCC(=O)C 1P006UKG [1,0,0,0,0,0|0,0,3]=4 153 B6R0.4 C=CC=CC(=O)O 1P00IBIF [1,0,0,0,0,0|1,0,2]=4 154 B6R0.4 C=CCCC(=O)C 1P0034QR [1,0,0,0,0,0|0,0,3]=4 155 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [1,0,0,0,0,0|1,0,2]=4 156 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 CC(=O)NCC#C 1P00FXQ5 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.4 CC(=O)NCC#N 1P003SUU [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 CC(=O)NCC=C 1P005X25 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 CC(=O)NCCCl 1P008R49 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.4 CC(=O)NCCN 1P0001ES [1,0,0,0,0,0|2,0,0]=3 162 B6R0.4 CC(=O)NCCO 1P003SQ9 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.4 CC(=O)NCCS 1P000PGX [1,0,0,0,0,0|2,0,0]=3 164 B6R0.4 CC(=O)OCC#C 1P003UFK [1,0,0,0,0,0|1,0,2]=4 165 B6R0.4 CC(=O)OCC#N 1P00983E [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CC(=O)OCCBr 1P0033N2 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 CC(=O)OCCCl 1P003O37 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.4 CC(=O)OCCN 1P01BHMJ [1,0,0,0,0,0|2,0,0]=3 169 B6R0.4 CC(=O)OCCO 1P003BP4 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.4 CC(=O)SCC#C 1P001378 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.4 CC(=O)SCC#N 1P00EBIB [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CC(=O)SCCBr 1P01C2AP [1,0,0,0,0,0|2,0,0]=3 173 B6R0.4 CC(=O)SCCN 1P0021WX [1,0,0,0,0,0|2,0,0]=3 174 B6R0.4 CCC#CC(=O)C 1P003JZH [1,0,0,0,0,0|0,0,2]=3 175 B6R0.4 CCC#CC(=O)O 1P003IAY [1,0,0,0,0,0|1,0,2]=4 176 B6R0.4 CCCC=C(C)C 1P003I2I [1,0,0,0,0,0|1,0,0]=2 177 B6R0.4 CCCCC(=C)C 1P003I1X [1,0,0,0,0,0|1,0,1]=3 178 B6R0.4 CCCCC(=N)N 1P0024GH [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CCCCC(=N)N 1P008RZF [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CCCCC(=O)Br 1P002HYG [1,0,0,0,0,0|1,0,1]=3 181 B6R0.4 CCCCC(=O)Cl 1P003698 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.4 CCCCC(=O)N 1P0035X7 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.4 CCCCC(=O)O 1P003696 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.4 CCCCC(=O)[O-] 1P003697 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.4 CCCCC(=S)N 1P001WK5 [1,0,0,0,0,0|1,1,1]=4 186 B6R0.4 CCCCC(Br)C 1P0033N8 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.4 CCCCC(C)C 1P003I64 [1,0,0,0,0,0|1,0,2]=4 188 B6R0.4 CCCCC(Cl)C 1P003HJ7 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.4 CCCCC(N)C 1P00DGB5 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.4 CCCCC(N)C 1P01XESR [1,0,0,0,0,0|1,0,2]=4 191 B6R0.4 CCCCC(O)C 1P003HTP [1,0,0,0,0,0|0,0,3]=4 192 B6R0.4 CCCCN(N)C 1P0028OB [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 CCCCS(=O)Cl 1P0070TR [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 CCCCS(=O)[O-] 1P01BCHF [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 CCCC[C@@H](N)C 1P0032XK [1,0,0,0,0,0|1,0,2]=4 196 B6R0.4 CCCC[C@@H](O)C 1P003CXC [1,0,0,0,0,0|0,0,3]=4 197 B6R0.4 CCCC[C@H](N)C 1P003CJB [1,0,0,0,0,0|1,0,2]=4 198 B6R0.4 CCCC[C@H](O)C 1P002U47 [1,0,0,0,0,0|0,0,3]=4 199 B6R0.4 CCCC[N+](=O)[O-] 1P003F12 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CCCC[Sn](=O)O 1P003P30 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CCCNC(=N)N 1P019ZHR [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CCCNC(=O)C 1P003SVI [1,0,0,0,0,0|1,0,0]=2 203 B6R0.4 CCCNC(=O)Cl 1P00D7IN [1,0,0,0,0,0|2,0,0]=3 204 B6R0.4 CCCNC(=O)N 1P003TSP [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 CCCNC(=S)N 1P003SVK [1,0,0,0,0,0|2,1,0]=4 206 B6R0.4 CCCNC(C)C 1P003TLJ [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 CCCNC(C)C 1P0281NZ [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 CCCOC(=O)F 1P01B7MD [1,0,0,0,0,0|2,0,0]=3 209 B6R0.4 CCCOC(=O)N 1P00EB3O [1,0,0,0,0,0|2,0,0]=3 210 B6R0.4 CCCSC(=O)C 1P002MLH [1,0,0,0,0,0|1,0,0]=2 211 B6R0.4 CCNCC(=C)C 1P0027XL [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CCNCC(=O)C 1P01AMEX [1,0,0,0,0,0|1,0,1]=3 213 B6R0.4 CCNCC(=O)N 1P01BDEX [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 CCNCC(=O)O 1P003TH0 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 CCNCC(=O)O 1P00DUFI [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 CCOCC(=O)C 1P001LKY [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 CCOCC(=O)Cl 1P001D7O [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 CCOCC(=O)O 1P0033R4 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.4 CCONC(=O)C 1P0284GY [1,0,0,0,0,0|2,0,0]=3 220 B6R0.4 CCSCC(=O)C 1P003CHU [1,0,0,0,0,0|1,0,1]=3 221 B6R0.4 CCSCC(=O)O 1P003BF5 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [1,0,0,0,0,0|1,0,0]=2 223 B6R0.4 CC\C=C\C(=O)Cl 1P00CTFB [1,0,0,0,0,0|1,0,0]=2 224 B6R0.4 CC\C=C\C(=O)O 1P001C9L [1,0,0,0,0,0|1,0,0]=2 225 B6R0.4 CC\C=C\[N+](=O)[O-] 1P00CEU0 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.4 CNCCC(=O)C 1P01A3QD [1,0,0,0,0,0|1,0,1]=3 227 B6R0.4 CNCCC(=O)N 1P003IPF [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CNCCC(=O)N 1P00J2D0 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 CNCCC(=O)O 1P003IPE [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 CNCCC(=O)O 1P00IBZR [1,0,0,0,0,0|2,0,1]=4 231 B6R0.4 COC=CC(=O)C 1P00DEQI [1,0,0,0,0,0|1,0,0]=2 232 B6R0.4 COC=CC(=O)O 1P01KAIU [1,0,0,0,0,0|2,0,0]=3 233 B6R0.4 COCCC(=C)C 1P00D2DA [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 COCCC(=O)C 1P005IHL [1,0,0,0,0,0|1,0,1]=3 235 B6R0.4 COCCC(=O)Cl 1P0072PJ [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 COCCC(=O)N 1P007GOX [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 COCCC(=O)O 1P003K4N [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 COCOC(=O)C 1P00DMRV [1,0,0,0,0,0|2,0,0]=3 239 B6R0.4 CON=CC(=O)O 1P008EGN [1,0,0,0,0,0|3,0,0]=4 240 B6R0.4 CO\C=C\C(=O)C 1P00366M [1,0,0,0,0,0|1,0,0]=2 241 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [1,0,0,0,0,0|2,0,0]=3 242 B6R0.4 CSCCC(=O)C 1P003M9K [1,0,0,0,0,0|1,0,1]=3 243 B6R0.4 CSCCC(=O)Cl 1P003IQ2 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 CSCCC(=O)N 1P006Y1B [1,0,0,0,0,0|2,0,1]=4 245 B6R0.4 CSCOC(=O)C 1P001VB8 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 ClC(=O)OCCBr 1P006YLF [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 ClCC=CC(=O)Cl 1P002PYN [1,0,0,0,0,0|2,0,0]=3 249 B6R0.4 ClCC=CC(=O)O 1P001T1M [1,0,0,0,0,0|2,0,0]=3 250 B6R0.4 ClCCCC(=O)C 1P0034PM [1,0,0,0,0,0|1,0,1]=3 251 B6R0.4 ClCCCC(=O)Cl 1P0034GN [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 ClCCCC(=O)N 1P00C2BS [1,0,0,0,0,0|2,0,1]=4 253 B6R0.4 ClCCCC(=O)O 1P003LNQ [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 ClCCOC(=O)Cl 1P003HIX [1,0,0,0,0,0|3,0,0]=4 255 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.4 FCCCC(=O)O 1P00DWFR [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 FCCOC(=O)Cl 1P003HSJ [1,0,0,0,0,0|3,0,0]=4 258 B6R0.4 ICCCC(=O)C 1P01I085 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 ICCCC(=O)O 1P003M1J [1,0,0,0,0,0|2,0,1]=4 260 B6R0.4 N#CCC=C(C)C 1P00DGHX [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 N#CCCC(=O)C 1P006EUQ [1,0,0,0,0,0|1,0,2]=4 262 B6R0.4 N#C\C=C\C(=O)O 1P024H2K [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 NC(=O)NCCCl 1P003HJ6 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.4 NC(=O)NCCF 1P001ALC [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 NC(=O)OCCCl 1P002LSQ [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 NC(=O)OCCO 1P0033TG [1,0,0,0,0,0|3,0,0]=4 267 B6R0.4 NCC=CC(=O)O 1P01BG7C [1,0,0,0,0,0|2,0,0]=3 268 B6R0.4 NCCC=C(C)C 1P01BDB7 [1,0,0,0,0,0|2,0,0]=3 269 B6R0.4 NCCC=C(Cl)Cl 1P028VZC [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 NCCC=C(F)F 1P0293PF [1,0,0,0,0,0|3,0,0]=4 271 B6R0.4 NCCCC(=C)C 1P01CAMK [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 NCCCC(=C)C 1P01EMHE [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 NCCCC(=O)N 1P000UR1 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 NCCCC(=O)O 1P003L7U [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 NCCCS(=O)C 1P01AH4P [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 NCCNC(=O)N 1P00G2PY [1,0,0,0,0,0|3,0,0]=4 277 B6R0.4 NCCNC(=O)N 1P01B2YB [1,0,0,0,0,0|3,0,0]=4 278 B6R0.4 NCCOC(=O)N 1P01A50O [1,0,0,0,0,0|3,0,0]=4 279 B6R0.4 NC\C=C\C(=O)N 1P028GOU [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 O=CCCC(=O)C 1P00F3IL [1,0,0,0,0,0|1,0,2]=4 282 B6R0.4 OCC=CC(=O)[O-] 1P01C4RI [1,0,0,0,0,0|2,0,0]=3 283 B6R0.4 OCCC=C(F)F 1P028LTJ [1,0,0,0,0,0|3,0,0]=4 284 B6R0.4 OCCCC(=C)C 1P006Y6M [1,0,0,0,0,0|2,0,1]=4 285 B6R0.4 OCCCC(=O)C 1P0034QX [1,0,0,0,0,0|1,0,1]=3 286 B6R0.4 OCCCC(=O)N 1P006EUD [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 OCCCS(=O)C 1P027JF3 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 OC\C=C\C(=O)O 1P002P4F [1,0,0,0,0,0|2,0,0]=3 289 B6R0.4 SCCCC(=O)O 1P000VMF [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 [S-]C(=S)OCCC 1P003TSQ [1,0,0,0,0,0|2,1,0]=4 291 B6R0.6 BrCCCCC=O 1P000IND [1,0,0,0,0,0|1,0,2]=4 292 B6R0.6 CC=C=CCCN 1P028E11 [1,0,0,0,0,0|1,0,1]=3 293 B6R0.6 CC=CC=CC#N 1P001NWM [1,0,0,0,0,0|1,0,2]=4 294 B6R0.6 CC=CC=CCO 1P003VBC [1,0,0,0,0,0|1,0,1]=3 295 B6R0.6 CC=CCCCO 1P00EG91 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,0,0,0,0|0,0,0]=1 297 B6R0.6 CCCCCC=C 1P003EUA [1,0,0,0,0,0|0,0,3]=4 298 B6R0.6 CCCCCC=O 1P0033AJ [1,0,0,0,0,0|0,0,2]=3 299 B6R0.6 CCCCCNC 1P003TP3 [1,0,0,0,0,0|1,0,2]=4 300 B6R0.6 CCCCCSC 1P001ZXE [1,0,0,0,0,0|1,0,2]=4 301 B6R0.6 CCCCN=C=O 1P0035IG [1,0,0,0,0,0|1,0,2]=4 302 B6R0.6 CCCCNC=O 1P004TQ7 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.6 CCCCNCC 1P009AZS [1,0,0,0,0,0|1,0,2]=4 304 B6R0.6 CCCCOC=C 1P0038FE [1,0,0,0,0,0|1,0,2]=4 305 B6R0.6 CCCCSCC 1P003TBE [1,0,0,0,0,0|1,0,2]=4 306 B6R0.6 CCCNCC=C 1P00EEVI [1,0,0,0,0,0|1,0,2]=4 307 B6R0.6 CCCNCC=C 1P00J2H3 [1,0,0,0,0,0|1,0,2]=4 308 B6R0.6 CCCNCCC 1P001HZZ [1,0,0,0,0,0|1,0,2]=4 309 B6R0.6 CCCNCCC 1P003Q57 [1,0,0,0,0,0|1,0,2]=4 310 B6R0.6 CCCSSCC 1P0030MR [1,0,0,0,0,0|2,0,1]=4 311 B6R0.6 CCC\C=C\CC 1P001EUK [1,0,0,0,0,0|0,0,1]=2 312 B6R0.6 CCC\C=C\CI 1P000HQT [1,0,0,0,0,0|1,0,1]=3 313 B6R0.6 CCC\C=C\CN 1P01DWZW [1,0,0,0,0,0|1,0,1]=3 314 B6R0.6 CCC\C=C\CO 1P00GS1G [1,0,0,0,0,0|0,0,2]=3 315 B6R0.6 CCOC=CCC 1P003EMN [1,0,0,0,0,0|1,0,1]=3 316 B6R0.6 CCOCCC=O 1P00BG9R [1,0,0,0,0,0|1,0,2]=4 317 B6R0.6 CCO\C=C\C#N 1P003JUC [1,0,0,0,0,0|2,0,1]=4 318 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,0,0,0,0,0|0,0,2]=3 319 B6R0.6 COBCCCC 1P003P2U [1,0,0,0,0,0|2,0,1]=4 320 B6R0.6 COCC#CC=O 1P028NXR [1,0,0,0,0,0|1,0,2]=4 321 B6R0.6 COCC=CCN 1P01XINX [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 COCCCC=O 1P00CBQP [1,0,0,0,0,0|1,0,2]=4 323 B6R0.6 COCCNC=O 1P01DWWC [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 CSCC=CCN 1P024URW [1,0,0,0,0,0|2,0,1]=4 325 B6R0.6 CSCCCC=O 1P00D7TQ [1,0,0,0,0,0|1,0,2]=4 326 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,0,0,0,0|1,0,1]=3 327 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,0,0,0,0,0|1,0,1]=3 328 B6R0.6 C\C=C\CCCI 1P028HXK [1,0,0,0,0,0|1,0,1]=3 329 B6R0.6 C\C=C\CCCN 1P023ZOR [1,0,0,0,0,0|1,0,1]=3 330 B6R0.6 C\C=C\CCCO 1P003LXM [1,0,0,0,0,0|1,0,1]=3 331 B6R0.6 ClCCCCC=O 1P002DET [1,0,0,0,0,0|1,0,2]=4 332 B6R0.6 OCCCCC=O 1P003A4R [1,0,0,0,0,0|1,0,2]=4 333 B6R0.6 OCCCNC=O 1P01I7G6 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.6 OCC\C=C/CC 1P00377Y [1,0,0,0,0,0|1,0,1]=3 335 B6R0.6 OCC\C=C\C=C 1P005YFP [1,0,0,0,0,0|1,0,1]=3 336 B6R0.6 OCC\C=C\CC 1P003VE0 [1,0,0,0,0,0|1,0,1]=3 337 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,0,0,0,0,0|1,0,1]=3 338 B8R0.5 CC(=CC(=O)O)CCC 1P0037TF [0,1,0,0,0,0|1,0,0]=2 339 B8R0.5 CC(=CC(=O)O)COC 1P01AEID [0,1,0,0,0,0|2,0,0]=3 340 B8R0.5 CCCC(=C)CC(=O)O 1P01GCQY [0,1,0,0,0,0|1,0,1]=3 341 B8R0.5 CCCC(=O)CC(=O)C 1P008R1G [0,1,0,0,0,0|0,0,1]=2 342 B8R0.5 CCCC(=O)CC(=O)O 1P0073KJ [0,1,0,0,0,0|1,0,1]=3 343 B8R0.5 CCCC(=O)CC(C)C 1P003I60 [0,1,0,0,0,0|1,0,2]=4 344 B8R0.5 CCCC(CC(=O)C)C 1P00ECOX [0,1,0,0,0,0|0,0,2]=3 345 B8R0.5 CCCC(CC(=O)O)C 1P00C0ML [0,1,0,0,0,0|1,0,2]=4 346 B8R0.5 CCCC(CC(=O)O)N 1P00EBTZ [0,1,0,0,0,0|1,0,2]=4 347 B8R0.5 CCCC(CC(=O)O)O 1P0006E4 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.5 CCCC(OC(=O)C)C 1P000DP3 [0,1,0,0,0,0|1,0,1]=3 349 B8R0.5 CCCN(CC(=O)O)C 1P01ABNR [0,1,0,0,0,0|2,0,1]=4 350 B8R0.5 CCCS(=O)CC(=O)O 1P0013O1 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.5 CCC[C@@H](CC(=O)O)N 1P006D2E [0,1,0,0,0,0|1,0,2]=4 352 B8R0.5 CCC[C@@H](CC(=O)O)N 1P00EM67 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.5 CCC[C@@H](CC(=O)O)O 1P006NFR [0,1,0,0,0,0|1,0,2]=4 354 B8R0.5 CCNC(=O)CC(=O)O 1P00JEM8 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.5 CCOC(=O)C=C(C)C 1P0035DS [0,1,0,0,0,0|2,0,0]=3 356 B8R0.5 CCOC(=O)C=C(F)F 1P00D6D1 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.5 CCOC(=O)C=C(N)C 1P00341D [0,1,0,0,0,0|2,0,0]=3 358 B8R0.5 CCOC(=O)CC(=O)C 1P001G80 [0,1,0,0,0,0|1,0,1]=3 359 B8R0.5 CCOC(=O)CC(=O)Cl 1P003QO3 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.5 CCOC(=O)CC(=O)N 1P005HF6 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.5 CCOC(=O)CC(=O)[O-] 1P01FZ76 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.5 CCOC(=O)NC(=O)C 1P002RPE [0,1,0,0,0,0|2,0,0]=3 363 B8R0.5 CCOC(=O)NC(=O)N 1P003QUV [0,1,0,0,0,0|3,0,0]=4 364 B8R0.5 CCOC(=O)\C=C(/C)\[O-] 1P00BCU3 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.5 CCOC(=O)\C=C(/I)\C 1P00CUPQ [0,1,0,0,0,0|2,0,0]=3 366 B8R0.5 CCOC(=O)\C=C(/N)\C 1P003QNT [0,1,0,0,0,0|2,0,0]=3 367 B8R0.5 CCOC(SC(=O)C)C 1P005PKF [0,1,0,0,0,0|2,0,1]=4 368 B8R0.5 COCC(=O)CC(=O)C 1P00ED5W [0,1,0,0,0,0|1,0,1]=3 369 B8R0.5 COCC(OC(=O)C)C 1P0038SH [0,1,0,0,0,0|2,0,1]=4 370 B8R0.5 C\C(=C/C(=O)O)\CCC 1P003K5U [0,1,0,0,0,0|1,0,0]=2 371 B8R0.5 NC(=O)NC(=O)CCCl 1P00E1JF [0,1,0,0,0,0|3,0,0]=4 372 B8R0.5 NCCC(=O)NC(=O)N 1P019U7W [0,1,0,0,0,0|3,0,0]=4 373 B8R0.5 OCCN(CC(=O)C)C 1P00C2MY [0,1,0,0,0,0|2,0,1]=4 374 B8R0.5 [O-]C(=O)CC(=O)OCC 1P0035DE [0,1,0,0,0,0|2,0,1]=4 375 B8R0.6 BrCCCCC(=O)OC 1P0035OM [0,1,0,0,0,0|1,0,2]=4 376 B8R0.6 CC=CC=CC(=O)OC 1P001NUA [0,1,0,0,0,0|0,0,2]=3 377 B8R0.6 CCCC#CC(=O)OC 1P002E2C [0,1,0,0,0,0|0,0,2]=3 378 B8R0.6 CCCCCC(=O)C=C 1P0032P4 [0,1,0,0,0,0|0,0,3]=4 379 B8R0.6 CCCCCC(=O)CBr 1P001UJM [0,1,0,0,0,0|0,0,2]=3 380 B8R0.6 CCCCCC(=O)CC 1P003KB3 [0,1,0,0,0,0|0,0,2]=3 381 B8R0.6 CCCCCC(=O)NN 1P007NQB [0,1,0,0,0,0|1,0,2]=4 382 B8R0.6 CCCCCC(=O)NO 1P00702Y [0,1,0,0,0,0|1,0,2]=4 383 B8R0.6 CCCCCC(=O)OC 1P003SH4 [0,1,0,0,0,0|0,0,2]=3 384 B8R0.6 CCCCNC(=O)C=C 1P00BGZZ [0,1,0,0,0,0|1,0,2]=4 385 B8R0.6 CCCCNC(=O)CC 1P002Z7K [0,1,0,0,0,0|1,0,1]=3 386 B8R0.6 CCCCNC(=O)CCl 1P00D9U4 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.6 CCCCNC(=O)NN 1P002AZ5 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.6 CCCCOC(=O)C=C 1P001G67 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.6 CCCCOC(=O)CCl 1P003P26 [0,1,0,0,0,0|1,0,1]=3 390 B8R0.6 CCCCOC(=O)CN 1P009B7X [0,1,0,0,0,0|1,0,1]=3 391 B8R0.6 CCCCOC(=O)CO 1P003P2L [0,1,0,0,0,0|1,0,1]=3 392 B8R0.6 CCCCOC(=O)CS 1P0002J7 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.6 CCCCOC(=O)OC 1P00E0M4 [0,1,0,0,0,0|1,0,1]=3 394 B8R0.6 CCCNCC(=O)NC 1P019WTH [0,1,0,0,0,0|1,0,1]=3 395 B8R0.6 CCCNCC(=O)OC 1P01BD8H [0,1,0,0,0,0|1,0,1]=3 396 B8R0.6 CCC\C=C\C(=O)OC 1P001ACY [0,1,0,0,0,0|0,0,0]=1 397 B8R0.6 CCNCCC(=O)NC 1P01BFYN [0,1,0,0,0,0|1,0,2]=4 398 B8R0.6 CCNCCC(=O)OC 1P003S6I [0,1,0,0,0,0|1,0,2]=4 399 B8R0.6 CCSC=CC(=O)OC 1P01B82H [0,1,0,0,0,0|1,0,0]=2 400 B8R0.6 CCSCCC(=O)CCl 1P00DRH8 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.6 CC\C=C/CC(=O)C=C 1P00FGQF [0,1,0,0,0,0|0,0,3]=4 402 B8R0.6 CC\C=C\CC(=O)OC 1P00AK1M [0,1,0,0,0,0|0,0,2]=3 403 B8R0.6 CNC(=O)COCCN 1P01A587 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.6 CNC(=O)NCCCN 1P028MWO [0,1,0,0,0,0|2,0,1]=4 405 B8R0.6 CNC(=O)NCCCO 1P01CALW [0,1,0,0,0,0|2,0,1]=4 406 B8R0.6 CNC(=O)OCCCN 1P028MRP [0,1,0,0,0,0|2,0,1]=4 407 B8R0.6 CNCC#CC(=O)OC 1P028XV7 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.6 CNCCCC(=O)NC 1P01A2TR [0,1,0,0,0,0|1,0,2]=4 409 B8R0.6 CNCCCC(=O)OC 1P00GVAH [0,1,0,0,0,0|1,0,2]=4 410 B8R0.6 COC(=O)CC=CCN 1P028B66 [0,1,0,0,0,0|1,0,2]=4 411 B8R0.6 COC(=O)COCCCl 1P004VX6 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.6 COC(=O)COCCN 1P01AGKQ [0,1,0,0,0,0|2,0,1]=4 413 B8R0.6 COC(=O)CSCCN 1P01ABKJ [0,1,0,0,0,0|2,0,1]=4 414 B8R0.6 COC(=O)CSCCO 1P01EMTX [0,1,0,0,0,0|2,0,1]=4 415 B8R0.6 COC(=O)NCCCN 1P0287FB [0,1,0,0,0,0|2,0,1]=4 416 B8R0.6 COC(=O)NCCCO 1P028FD6 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.6 COCCCC(=O)CCl 1P028VFR [0,1,0,0,0,0|1,0,2]=4 418 B8R0.6 COCCCC(=O)OC 1P002VN6 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.6 COCCNC(=O)CBr 1P01K68O [0,1,0,0,0,0|2,0,1]=4 420 B8R0.6 COCCNC(=O)CCl 1P0008G8 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.6 COCCNC(=O)CN 1P009B1M [0,1,0,0,0,0|2,0,1]=4 422 B8R0.6 COCCOC(=O)CS 1P002BLH [0,1,0,0,0,0|2,0,1]=4 423 B8R0.6 COC\C=C\C(=O)OC 1P00101R [0,1,0,0,0,0|1,0,0]=2 424 B8R0.6 CSCCCC(=O)OC 1P003SAN [0,1,0,0,0,0|1,0,2]=4 425 B8R0.6 CSCCNC(=O)OC 1P028WWP [0,1,0,0,0,0|2,0,1]=4 426 B8R0.6 C\C=C\C=C\C(=O)NO 1P00C7Y7 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.6 C\C=C\C=C\C(=O)OC 1P006EBP [0,1,0,0,0,0|0,0,2]=3 428 B8R0.6 ClCCCCC(=O)OC 1P0035OP [0,1,0,0,0,0|1,0,2]=4 429 B8R0.6 ClCCCNC(=O)CN 1P01FKXH [0,1,0,0,0,0|2,0,1]=4 430 B8R0.6 ClCCOCC(=O)CCl 1P0284ID [0,1,0,0,0,0|2,0,1]=4 431 B8R0.6 NCCC#CC(=O)OC 1P028228 [0,1,0,0,0,0|1,0,2]=4 432 B8R0.6 NCCCCC(=O)NC 1P028T97 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.6 NCCCCC(=O)OC 1P003AAV [0,1,0,0,0,0|1,0,2]=4 434 B8R0.6 OCCCCC(=O)OC 1P006XZT [0,1,0,0,0,0|1,0,2]=4 435 B8R0.6 SCCCCC(=O)NC 1P027XJ9 [0,1,0,0,0,0|1,0,2]=4 436 B8R0.6 SCCCCC(=O)OC 1P005E7S [0,1,0,0,0,0|1,0,2]=4 437 B8R0.6 [N-]=[N+]=N\C=C/C(=O)OC 1P000CJD [0,1,0,0,0,0|3,0,0]=4 438 B8R0.7 BrCCCCCC(=O)C 1P01AV5V [0,1,0,0,0,0|0,0,2]=3 439 B8R0.7 BrCCCCCC(=O)Cl 1P0039BS [0,1,0,0,0,0|1,0,2]=4 440 B8R0.7 BrCCCCCC(=O)N 1P00EADM [0,1,0,0,0,0|1,0,2]=4 441 B8R0.7 BrCCCCCC(=O)O 1P003NLF [0,1,0,0,0,0|1,0,2]=4 442 B8R0.7 BrCCCCOC(=O)C 1P0034F1 [0,1,0,0,0,0|1,0,1]=3 443 B8R0.7 BrCCOCCC(=O)C 1P01FIMW [0,1,0,0,0,0|1,0,2]=4 444 B8R0.7 C#CCCCSC(=O)C 1P024LZE [0,1,0,0,0,0|1,0,2]=4 445 B8R0.7 C=CCCCCC(=O)C 1P00D0BP [0,1,0,0,0,0|0,0,3]=4 446 B8R0.7 CC#CCCCC(=O)C 1P01HMO4 [0,1,0,0,0,0|0,0,3]=4 447 B8R0.7 CCC=CC=CC(O)C 1P005K3K [0,1,0,0,0,0|0,0,3]=4 448 B8R0.7 CCCCC#CC(=O)O 1P001G2G [0,1,0,0,0,0|1,0,2]=4 449 B8R0.7 CCCCC=CC(=O)C 1P001XGQ [0,1,0,0,0,0|0,0,0]=1 450 B8R0.7 CCCCC=CC(=O)O 1P002ENX [0,1,0,0,0,0|1,0,0]=2 451 B8R0.7 CCCCCCC(=O)C 1P003IAB [0,1,0,0,0,0|0,0,2]=3 452 B8R0.7 CCCCCCC(=O)Cl 1P003QE1 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.7 CCCCCCC(=O)N 1P0037KH [0,1,0,0,0,0|1,0,2]=4 454 B8R0.7 CCCCCCC(=O)O 1P003RBO [0,1,0,0,0,0|1,0,2]=4 455 B8R0.7 CCCCCCC(=O)[O-] 1P0002NY [0,1,0,0,0,0|1,0,2]=4 456 B8R0.7 CCCCCOC(=O)C 1P0034XL [0,1,0,0,0,0|0,0,2]=3 457 B8R0.7 CCCCCOC(=O)Cl 1P003PAE [0,1,0,0,0,0|1,0,2]=4 458 B8R0.7 CCCCNCC(=O)N 1P019NIT [0,1,0,0,0,0|1,0,2]=4 459 B8R0.7 CCCCNCC(=O)O 1P00J7X7 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.7 CCCCOCC(=O)Cl 1P028I2X [0,1,0,0,0,0|1,0,2]=4 461 B8R0.7 CCCCOCC(=O)O 1P002R5S [0,1,0,0,0,0|1,0,2]=4 462 B8R0.7 CCCCSCC(=O)O 1P002AX9 [0,1,0,0,0,0|1,0,2]=4 463 B8R0.7 CCCC\C=C\B(O)O 1P00C1EK [0,1,0,0,0,0|2,0,1]=4 464 B8R0.7 CCCC\C=C\C(=O)C 1P0076C0 [0,1,0,0,0,0|0,0,0]=1 465 B8R0.7 CCCNCCC(=O)O 1P01ELYG [0,1,0,0,0,0|1,0,2]=4 466 B8R0.7 CCCOCCC(=O)O 1P002BD9 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.7 CCCSCCC(=O)Cl 1P028IX2 [0,1,0,0,0,0|1,0,2]=4 468 B8R0.7 CCCS\C=C/C(=O)O 1P028EBP [0,1,0,0,0,0|1,0,0]=2 469 B8R0.7 CCNCCCC(=O)O 1P002K4U [0,1,0,0,0,0|1,0,2]=4 470 B8R0.7 CCOCCCC(=O)O 1P019NUT [0,1,0,0,0,0|1,0,2]=4 471 B8R0.7 CCOCCNC(=O)N 1P019ZX5 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.7 CCOCCOC(=O)Cl 1P00E93I [0,1,0,0,0,0|2,0,1]=4 473 B8R0.7 CC\C=C\C=C\C(=O)O 1P028PCP [0,1,0,0,0,0|1,0,1]=3 474 B8R0.7 CNCCCCC(=O)O 1P01DX5C [0,1,0,0,0,0|1,0,2]=4 475 B8R0.7 CNCCCNC(=O)C 1P01AJNL [0,1,0,0,0,0|1,0,1]=3 476 B8R0.7 COCCCCC(=O)O 1P006CGN [0,1,0,0,0,0|1,0,2]=4 477 B8R0.7 COCCCNC(=O)N 1P007DUD [0,1,0,0,0,0|2,0,1]=4 478 B8R0.7 COCCCOC(=O)C 1P01BITH [0,1,0,0,0,0|1,0,1]=3 479 B8R0.7 COCCCOC(=O)Cl 1P027VNF [0,1,0,0,0,0|2,0,1]=4 480 B8R0.7 COCCNCC(=O)N 1P01A8TR [0,1,0,0,0,0|2,0,1]=4 481 B8R0.7 COCCNCC(=O)O 1P019TZB [0,1,0,0,0,0|2,0,1]=4 482 B8R0.7 COCCNCC(=O)O 1P01AIYV [0,1,0,0,0,0|2,0,1]=4 483 B8R0.7 COCCOCC(=O)C 1P0089H1 [0,1,0,0,0,0|1,0,1]=3 484 B8R0.7 COCCOCC(=O)Cl 1P001S9J [0,1,0,0,0,0|2,0,1]=4 485 B8R0.7 COCCOCC(=O)O 1P001S9I [0,1,0,0,0,0|2,0,1]=4 486 B8R0.7 COCCSCC(=O)O 1P019MH3 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.7 CSCCCCC(=O)O 1P005LP5 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.7 CSCCCOC(=O)C 1P001X2X [0,1,0,0,0,0|1,0,1]=3 489 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.7 CSCCOCC(=O)O 1P028X17 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.7 ClCCCCCC(=O)Cl 1P003NN4 [0,1,0,0,0,0|1,0,2]=4 492 B8R0.7 ClCCCCCC(=O)O 1P0034TE [0,1,0,0,0,0|1,0,2]=4 493 B8R0.7 ClCCCCNC(=O)C 1P01BKNG [0,1,0,0,0,0|1,0,1]=3 494 B8R0.7 ClCCCCOC(=O)C 1P0034GO [0,1,0,0,0,0|1,0,1]=3 495 B8R0.7 ClCCC\C=C\B(O)O 1P003CGR [0,1,0,0,0,0|2,0,1]=4 496 B8R0.7 ClCOCCOC(=O)C 1P0077FB [0,1,0,0,0,0|2,0,1]=4 497 B8R0.7 FCCCCCC(=O)O 1P00CWI0 [0,1,0,0,0,0|1,0,2]=4 498 B8R0.7 FCCCOCC(=O)O 1P028I6M [0,1,0,0,0,0|2,0,1]=4 499 B8R0.7 ICCCCCC(=O)O 1P01I3B5 [0,1,0,0,0,0|1,0,2]=4 500 B8R0.7 N#CCCCCC(=O)C 1P01C3NZ [0,1,0,0,0,0|0,0,3]=4 501 B8R0.7 NCCCCCC(=O)C 1P00IKV4 [0,1,0,0,0,0|0,0,2]=3 502 B8R0.7 NCCCCCC(=O)N 1P00CN40 [0,1,0,0,0,0|1,0,2]=4 503 B8R0.7 NCCCCCC(=O)O 1P0034SA [0,1,0,0,0,0|1,0,2]=4 504 B8R0.7 NCCCCCC(=O)O 1P00D9C9 [0,1,0,0,0,0|1,0,2]=4 505 B8R0.7 NCCCCNC(=O)C 1P00244C [0,1,0,0,0,0|1,0,1]=3 506 B8R0.7 NCCCCNC(=O)C 1P003T5V [0,1,0,0,0,0|1,0,1]=3 507 B8R0.7 NCCCCNC(=O)N 1P01AJJ7 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.7 NCCCCSC(=O)C 1P01XFJ1 [0,1,0,0,0,0|1,0,1]=3 509 B8R0.7 NCCCOCC(=O)O 1P01FIX4 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [0,1,0,0,0,0|1,0,2]=4 511 B8R0.7 OC(=O)C#CCCCF 1P027ZXI [0,1,0,0,0,0|1,0,2]=4 512 B8R0.7 OCCCCCC(=O)N 1P01DN53 [0,1,0,0,0,0|1,0,2]=4 513 B8R0.7 OCCCCCC(=O)O 1P000INE [0,1,0,0,0,0|1,0,2]=4 514 B8R0.7 OCCCCCC(=O)[O-] 1P0036KW [0,1,0,0,0,0|1,0,2]=4 515 B8R0.7 OCCCNCC(=O)[O-] 1P02829X [0,1,0,0,0,0|2,0,1]=4 516 B8R0.7 OCCC\C=C\C(C)C 1P028X40 [0,1,0,0,0,0|1,0,1]=3 517 B8R0.7 OCCS\C=C/C(=O)O 1P028O4K [0,1,0,0,0,0|2,0,0]=3 518 B8R0.7 SCCCCCC(=O)O 1P0025EW [0,1,0,0,0,0|1,0,2]=4 519 B8R0.7 [O-]C(=O)C=CCCSC 1P028BF9 [0,1,0,0,0,0|1,0,0]=2 520 B8R0.7 [O-]CCCCCC(=O)O 1P00DYY3 [0,1,0,0,0,0|1,0,2]=4 521 B8R0.8 CC(=C)C(=O)NCCN 1P00GGS2 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.8 CC(=C)C(=O)NCCO 1P00DIZS [0,1,0,0,0,0|3,0,0]=4 523 B8R0.8 CC(=C)C(=O)OCCBr 1P0070NX [0,1,0,0,0,0|3,0,0]=4 524 B8R0.8 CC(=C)C(=O)OCCCl 1P002HSR [0,1,0,0,0,0|3,0,0]=4 525 B8R0.8 CC(=C)C(=O)OCCN 1P003H00 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.8 CC(=C)C(=O)OCCO 1P003HW6 [0,1,0,0,0,0|3,0,0]=4 527 B8R0.8 CC(=CCCC)C(=O)O 1P002XFF [0,1,0,0,0,0|1,0,0]=2 528 B8R0.8 CC(C(=O)O)CCCC 1P00704O [0,1,0,0,0,0|1,0,2]=4 529 B8R0.8 CC(C(=O)O)OCCC 1P00F0M9 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.8 CCCCC(=O)C(=O)O 1P002QCL [0,1,0,0,0,0|1,0,1]=3 531 B8R0.8 CCCCC(=O)C(C)C 1P000UKZ [0,1,0,0,0,0|1,0,2]=4 532 B8R0.8 CCCCC(=O)N(C)C 1P00EAJP [0,1,0,0,0,0|2,0,1]=4 533 B8R0.8 CCCCC(=O)[C@@H](N)C 1P001PL8 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.8 CCCCC(C(=O)C)C 1P007NXP [0,1,0,0,0,0|0,0,2]=3 535 B8R0.8 CCCCC(C(=O)N)Br 1P01A97M [0,1,0,0,0,0|1,0,2]=4 536 B8R0.8 CCCCC(C(=O)O)Br 1P003H8L [0,1,0,0,0,0|1,0,2]=4 537 B8R0.8 CCCCC(C(=O)O)F 1P01FNJ3 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.8 CCCCC(C(=O)O)O 1P003HW9 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.8 CCCC[C@@H](C(=O)N)N 1P0068VS [0,1,0,0,0,0|1,0,2]=4 540 B8R0.8 CCCC[C@@H](C(=O)O)N 1P00I6OO [0,1,0,0,0,0|1,0,2]=4 541 B8R0.8 CCCC[C@H](C(=O)O)N 1P00I6ON [0,1,0,0,0,0|1,0,2]=4 542 B8R0.8 CCCNC(=O)C(=O)O 1P0058KI [0,1,0,0,0,0|2,0,0]=3 543 B8R0.8 CCCNC(=O)C(Cl)C 1P006CFJ [0,1,0,0,0,0|2,0,1]=4 544 B8R0.8 CCCNC(=O)C(N)C 1P01EIK4 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.8 CCCNC(=O)[C@@H](N)C 1P028LCD [0,1,0,0,0,0|2,0,1]=4 546 B8R0.8 CCCNC(=O)[C@H](N)C 1P01DVQ2 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.8 CCCOC(=O)C(=O)C 1P0028VH [0,1,0,0,0,0|1,0,0]=2 548 B8R0.8 CCCOC(=O)C(Cl)C 1P019Q7H [0,1,0,0,0,0|2,0,1]=4 549 B8R0.8 CCCOC(=O)C(O)C 1P003RL6 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.8 CCCOC(=O)[C@@H](N)C 1P01DZ07 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.8 CN(C(=O)C)CCCN 1P01AI3I [0,1,0,0,0,0|2,0,1]=4 552 B8R0.8 CN(C(=O)Cl)CCCC 1P01DWV3 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.8 CNCCN(C(=O)C)C 1P01JM2X [0,1,0,0,0,0|2,0,1]=4 554 B8R0.8 CNCCN(C(=O)C)C 1P028XZV [0,1,0,0,0,0|2,0,1]=4 555 B8R0.8 COCNC(=O)C(=C)C 1P00C7FI [0,1,0,0,0,0|3,0,0]=4 556 B8R0.8 C\C(=C/CCN)\C(=O)O 1P028ULS [0,1,0,0,0,0|2,0,0]=3 557 B8R0.8 NCCCN(C(=O)C)C 1P028QX4 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.8 OC(=O)\C(=C\CCF)\F 1P028OFA [0,1,0,0,0,0|2,0,0]=3 559 B8R0.8 [O-]C(=O)C(=O)CCCC 1P000UMX [0,1,0,0,0,0|1,0,1]=3 560 B8R0.8 [O-]C(=O)C(=O)CCSC 1P0289HC [0,1,0,0,0,0|2,0,1]=4 561 B8R0.9 C(C)(=O)OCC(O)CO 1P01FWQ5 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.9 CC(=O)OCC(CCl)O 1P00BKOC [0,1,0,0,0,0|2,0,1]=4 563 B8R0.9 CC(=O)OCC(CO)N 1P01BDUG [0,1,0,0,0,0|2,0,1]=4 564 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,1,0,0,0,0|1,0,2]=4 565 B8R0.9 CC(CC)COC(=O)Cl 1P0029RF [0,1,0,0,0,0|2,0,1]=4 566 B8R0.9 CC(CN)CNC(=O)C 1P009FP3 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,1,0,0,0,0|2,0,1]=4 568 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.9 CC(\C=C\C(=O)O)CC 1P01HUR0 [0,1,0,0,0,0|1,0,0]=2 570 B8R0.9 CCC(=O)CCC(=O)C 1P00AQ9U [0,1,0,0,0,0|0,0,3]=4 571 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,1,0,0,0,0|0,0,2]=3 572 B8R0.9 CCC(CCC(=O)Cl)Cl 1P00IKRX [0,1,0,0,0,0|1,0,2]=4 573 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.9 CCC(COC(=O)C)Br 1P01BASA [0,1,0,0,0,0|1,0,1]=3 575 B8R0.9 CCC(COC(=O)C)C 1P003I5L [0,1,0,0,0,0|1,0,1]=3 576 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,1,0,0,0,0|2,0,1]=4 577 B8R0.9 COC(=O)C=CC(=O)C 1P00BDS4 [0,1,0,0,0,0|1,0,1]=3 578 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,1,0,0,0,0|2,0,1]=4 579 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.9 COC(COC(=O)C)C 1P00FERJ [0,1,0,0,0,0|2,0,1]=4 581 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,1,0,0,0,0|1,0,2]=4 582 B8R0.9 [O-]C(=O)CCC(CC)O 1P01XCZ8 [0,1,0,0,0,0|1,0,2]=4 583 B8R0.21 CCCCCP(=O)(C)C 1P01GBOQ [0,1,0,0,0,0|1,0,2]=4 584 B8R0.21 CCCCOP(=O)(Cl)C 1P028GD6 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.21 CCCCOP(=O)(O)C 1P01RQ9O [0,1,0,0,0,0|2,0,1]=4 586 B8R0.21 CCCCOS(=O)(=O)C 1P002FL5 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.28 CC(=C\C=C\C(=O)C)C 1P003NR1 [0,1,0,0,0,0|0,0,2]=3 588 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.28 CC(=O)CCCC(=O)C 1P00700E [0,1,0,0,0,0|0,0,3]=4 590 B8R0.28 CC(=O)CCOC(=O)C 1P00054J [0,1,0,0,0,0|1,0,2]=4 591 B8R0.28 CC(CCC=C(C)C)N 1P006Y97 [0,1,0,0,0,0|1,0,1]=3 592 B8R0.28 CC(CCC=C(C)C)O 1P001PJA [0,1,0,0,0,0|1,0,1]=3 593 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,1,0,0,0,0|0,0,2]=3 594 B8R0.28 CC(CCCC(=O)Cl)Cl 1P01A4NJ [0,1,0,0,0,0|1,0,2]=4 595 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,1,0,0,0,0|1,0,2]=4 596 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,1,0,0,0,0|1,0,2]=4 597 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,1,0,0,0,0|1,0,1]=3 598 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,1,0,0,0,0|2,0,1]=4 599 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,1,0,0,0,0|1,0,1]=3 600 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,1,0,0,0,0|2,0,1]=4 601 B8R0.28 CC(CNC=C(C)C)C 1P01C4AK [0,1,0,0,0,0|2,0,0]=3 602 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,1,0,0,0,0|1,0,1]=3 603 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,1,0,0,0,0|2,0,1]=4 604 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,1,0,0,0,0|2,0,1]=4 605 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,1,0,0,0,0|2,0,1]=4 606 B8R0.28 CC(CNCC(=O)[O-])O 1P028LAM [0,1,0,0,0,0|2,0,1]=4 607 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,1,0,0,0,0|2,0,1]=4 608 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,1,0,0,0,0|1,0,1]=3 609 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,1,0,0,0,0|1,0,2]=4 611 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,1,0,0,0,0|2,0,0]=3 612 B8R0.28 CN(CCCC(=O)C)C 1P00C0OS [0,1,0,0,0,0|1,0,2]=4 613 B8R0.28 CN(CCOC(=O)C)C 1P001I9K [0,1,0,0,0,0|2,0,1]=4 614 B8R0.28 CN(C\C=C/C(=O)[O-])C 1P023U1C [0,1,0,0,0,0|2,0,0]=3 615 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,1,0,0,0,0|2,0,0]=3 616 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.28 C[C@@H](CCC=C(C)C)O 1P0037HK [0,1,0,0,0,0|1,0,1]=3 618 B8R0.28 C[C@H](CCC=C(C)C)O 1P003CJX [0,1,0,0,0,0|1,0,1]=3 619 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,1,0,0,0,0|2,0,1]=4 620 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,1,0,0,0,0|2,0,1]=4 621 B8R1.1 BrCC1CCC(=O)C1 1P027TUY [0,0,0,1,0,0|1,0,2]=4 622 B8R1.1 BrCC1CNC(=O)C1 1P0198QJ [0,0,0,1,0,0|2,0,1]=4 623 B8R1.1 BrCC1COC(=O)C1 1P028EBM [0,0,0,1,0,0|2,0,1]=4 624 B8R1.1 CCC1=NOC(=O)C1 1P027OCY [0,0,0,1,0,0|2,0,1]=4 625 B8R1.1 CCC1CC(=O)CO1 1P01B68Q [0,0,0,1,0,0|1,0,1]=3 626 B8R1.1 CCC1CCC(=O)C1 1P0008HE [0,0,0,1,0,0|0,0,2]=3 627 B8R1.1 CCC1CCC(=O)N1 1P009RS0 [0,0,0,1,0,0|1,0,2]=4 628 B8R1.1 CCC1CCC(=O)O1 1P003LXK [0,0,0,1,0,0|1,0,2]=4 629 B8R1.1 CCC1CCC(=O)S1 1P0028FT [0,0,0,1,0,0|1,0,2]=4 630 B8R1.1 CCC1CNC(=O)C1 1P0075T3 [0,0,0,1,0,0|1,0,1]=3 631 B8R1.1 CCC1CNC(=O)O1 1P00C4QB [0,0,0,1,0,0|2,0,1]=4 632 B8R1.1 CCC1COC(=O)C1 1P01QNJA [0,0,0,1,0,0|1,0,1]=3 633 B8R1.1 CCC1COC(=O)N1 1P001SNP [0,0,0,1,0,0|2,0,1]=4 634 B8R1.1 CCC1COC(=O)O1 1P003LSA [0,0,0,1,0,0|2,0,1]=4 635 B8R1.1 CCC1CSC(=N1)C 1P003LSD [0,0,0,1,0,0|2,0,1]=4 636 B8R1.1 CCN1C=C[NH+](C1)C 1P001KY1 [0,0,0,1,0,0|3,0,0]=4 637 B8R1.1 CCN1C=C[NH+](C1)C 1P0020H9 [0,0,0,1,0,0|3,0,0]=4 638 B8R1.1 CC[C@H]1CCC(=O)N1 1P0292WG [0,0,0,1,0,0|1,0,2]=4 639 B8R1.1 CC[C@H]1COC(=O)N1 1P001AEG [0,0,0,1,0,0|2,0,1]=4 640 B8R1.1 CC[n+]1ccn(c1)C 1P0038KD [0,0,0,1,0,0|3,0,0]=4 641 B8R1.1 CC[n+]1ccn(c1)C 1P003BIC [0,0,0,1,0,0|3,0,0]=4 642 B8R1.1 CC[n+]1ccn(c1)C 1P003ERH [0,0,0,1,0,0|3,0,0]=4 643 B8R1.1 CC[n+]1ccn(c1)C 1P003ERK [0,0,0,1,0,0|3,0,0]=4 644 B8R1.1 CC[n+]1ccn(c1)C 1P007HMM [0,0,0,1,0,0|3,0,0]=4 645 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [0,0,0,1,0,0|2,0,1]=4 646 B8R1.1 CCc1ccc(o1)C 1P0039DO [0,0,0,1,0,0|0,0,2]=3 647 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [0,0,0,1,0,0|1,1,1]=4 648 B8R1.1 CCc1ccc(s1)C 1P003HNV [0,0,0,1,0,0|0,1,1]=3 649 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [0,0,0,1,0,0|1,0,2]=4 650 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [0,0,0,1,0,0|1,1,1]=4 651 B8R1.1 CCc1ccn(n1)C 1P00I66E [0,0,0,1,0,0|2,0,1]=4 652 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [0,0,0,1,0,0|2,0,1]=4 653 B8R1.1 CCc1csc(c1)C 1P0012TP [0,0,0,1,0,0|2,0,1]=4 654 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [0,0,0,1,0,0|2,0,1]=4 655 B8R1.1 CCc1scc(n1)C 1P001PGP [0,0,0,1,0,0|2,0,1]=4 656 B8R1.1 CCn1cc[n+](c1)C 1P001OBY [0,0,0,1,0,0|3,0,0]=4 657 B8R1.1 CCn1cc[n+](c1)C 1P003AYL [0,0,0,1,0,0|3,0,0]=4 658 B8R1.1 CCn1cc[n+](c1)C 1P003BIB [0,0,0,1,0,0|3,0,0]=4 659 B8R1.1 CCn1cc[n+](c1)C 1P003BID [0,0,0,1,0,0|3,0,0]=4 660 B8R1.1 CCn1cc[n+](c1)C 1P003ERJ [0,0,0,1,0,0|3,0,0]=4 661 B8R1.1 CCn1cc[n+](c1)C 1P003ERL [0,0,0,1,0,0|3,0,0]=4 662 B8R1.1 CCn1cc[n+](c1)C 1P003ERM [0,0,0,1,0,0|3,0,0]=4 663 B8R1.1 CCn1cc[n+](c1)C 1P003ERN [0,0,0,1,0,0|3,0,0]=4 664 B8R1.1 CCn1cc[n+](c1)C 1P0053QX [0,0,0,1,0,0|3,0,0]=4 665 B8R1.1 CCn1cc[n+](c1)C 1P00DCGF [0,0,0,1,0,0|3,0,0]=4 666 B8R1.1 CCn1cc[n+](c1)C 1P00H1OE [0,0,0,1,0,0|3,0,0]=4 667 B8R1.1 CCn1cc[n+](c1)C 1P00ID7X [0,0,0,1,0,0|3,0,0]=4 668 B8R1.1 CCn1cc[n+](c1)C 1P00IISX [0,0,0,1,0,0|3,0,0]=4 669 B8R1.1 CCn1ccc(n1)Br 1P009BLV [0,0,0,1,0,0|3,0,0]=4 670 B8R1.1 CCn1ccc(n1)C 1P0030KV [0,0,0,1,0,0|2,0,0]=3 671 B8R1.1 CCn1ccc(n1)C 1P01C0XS [0,0,0,1,0,0|2,0,0]=3 672 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [0,0,0,1,0,0|3,0,0]=4 673 B8R1.1 CCn1ccc(n1)N 1P00D912 [0,0,0,1,0,0|3,0,0]=4 674 B8R1.1 CCn1ccc(n1)O 1P01DT9N [0,0,0,1,0,0|2,0,1]=4 675 B8R1.1 CCn1ncc(c1)C 1P01APCE [0,0,0,1,0,0|3,0,0]=4 676 B8R1.1 CNC1CNC(=O)C1 1P018SPE [0,0,0,1,0,0|2,0,1]=4 677 B8R1.1 CN[C@H]1CNC(=O)C1 1P01XHI8 [0,0,0,1,0,0|2,0,1]=4 678 B8R1.1 COC1CNC(=O)C1 1P01B1U7 [0,0,0,1,0,0|2,0,1]=4 679 B8R1.1 CSC1CCC(=O)C1 1P0290A2 [0,0,0,1,0,0|1,0,2]=4 680 B8R1.1 Cc1ccc(o1)CN 1P001CFL [0,0,0,1,0,0|1,0,2]=4 681 B8R1.1 Cc1ccc(o1)CO 1P003NBO [0,0,0,1,0,0|1,0,2]=4 682 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [0,0,0,1,0,0|1,0,2]=4 683 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [0,0,0,1,0,0|1,1,1]=4 684 B8R1.1 Cc1ccc(s1)CN 1P0085BO [0,0,0,1,0,0|1,1,1]=4 685 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [0,0,0,1,0,0|1,1,1]=4 686 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [0,0,0,1,0,0|1,1,1]=4 687 B8R1.1 ICC1CNC(=O)C1 1P01C3B7 [0,0,0,1,0,0|2,0,1]=4 688 B8R1.1 NCC1CCC(=O)C1 1P0285ZW [0,0,0,1,0,0|1,0,2]=4 689 B8R1.1 NCC1CNC(=O)C1 1P001CGK [0,0,0,1,0,0|2,0,1]=4 690 B8R1.1 NCC1CNC(=O)C1 1P0064LK [0,0,0,1,0,0|2,0,1]=4 691 B8R1.1 NCC1CNC(=O)C1 1P01DTQ3 [0,0,0,1,0,0|2,0,1]=4 692 B8R1.1 NCC1COC(=O)C1 1P028UN9 [0,0,0,1,0,0|2,0,1]=4 693 B8R1.1 NC[C@@H]1CNC(=O)C1 1P00HXCG [0,0,0,1,0,0|2,0,1]=4 694 B8R1.1 N[C@@H]1C[C@@H](C=C1)CO 1P001YVW [0,0,0,1,0,0|2,0,1]=4 695 B8R1.1 OCC1CC(=O)CO1 1P02010B [0,0,0,1,0,0|2,0,1]=4 696 B8R1.1 OCC1CCC(=O)C1 1P01JUNL [0,0,0,1,0,0|1,0,2]=4 697 B8R1.1 OCC1CNC(=O)C1 1P0034A5 [0,0,0,1,0,0|2,0,1]=4 698 B8R1.1 OCC1COC(=O)C1 1P00I7Q5 [0,0,0,1,0,0|2,0,1]=4 699 B8R1.1 OCC1OC(=O)C=C1 1P007GAQ [0,0,0,1,0,0|2,0,0]=3 700 B8R1.1 OC[C@@H]1CNC(=O)C1 1P01BO9A [0,0,0,1,0,0|2,0,1]=4 701 B8R1.1 OC[C@H]1CNC(=O)C1 1P0099ZX [0,0,0,1,0,0|2,0,1]=4 702 B8R1.4 CC1CC(=O)C=CC1 1P005K9T [0,0,0,1,0,0|0,0,0]=1 703 B8R1.4 CC1CC(=O)C=CN1 1P01HWL9 [0,0,0,1,0,0|1,0,0]=2 704 B8R1.4 CC1CCCC(=O)C1 1P003K7S [0,0,0,1,0,0|0,0,2]=3 705 B8R1.4 CC1CCCC(=O)N1 1P0034U4 [0,0,0,1,0,0|1,0,2]=4 706 B8R1.4 CC1CCCC(=O)O1 1P003VX8 [0,0,0,1,0,0|1,0,2]=4 707 B8R1.4 CC1CCN=C(C1)N 1P001WKT [0,0,0,1,0,0|2,0,1]=4 708 B8R1.4 CC1CCNC(=O)C1 1P003AHU [0,0,0,1,0,0|1,0,1]=3 709 B8R1.4 CC1CCNC(=O)O1 1P028C5M [0,0,0,1,0,0|2,0,1]=4 710 B8R1.4 CC1CCOC(=O)C1 1P00978J [0,0,0,1,0,0|1,0,1]=3 711 B8R1.4 CC1CCOC(=O)O1 1P001ZJR [0,0,0,1,0,0|2,0,1]=4 712 B8R1.4 CC1CNCC(=C1)C 1P01BI0O [0,0,0,1,0,0|2,0,1]=4 713 B8R1.4 CC1CNCC(=O)C1 1P01FJTW [0,0,0,1,0,0|1,0,1]=3 714 B8R1.4 CC1CNCC(=O)N1 1P003AKO [0,0,0,1,0,0|2,0,1]=4 715 B8R1.4 CC1COCC(=O)N1 1P00FBJD [0,0,0,1,0,0|2,0,1]=4 716 B8R1.4 CC1NCCC(=O)C1 1P0013IP [0,0,0,1,0,0|1,0,2]=4 717 B8R1.4 CC1NCCC(=O)C1 1P01EKA7 [0,0,0,1,0,0|1,0,2]=4 718 B8R1.4 CN1CC(O)C=CC1 1P027UAU [0,0,0,1,0,0|1,0,2]=4 719 B8R1.4 CN1CCC=C(C1)Br 1P00CRD7 [0,0,0,1,0,0|2,0,1]=4 720 B8R1.4 CN1CCC=C(C1)Br 1P00G4MX [0,0,0,1,0,0|2,0,1]=4 721 B8R1.4 CN1CCCC(=O)C1 1P003EYJ [0,0,0,1,0,0|1,0,2]=4 722 B8R1.4 CN1CCCC(=O)C1 1P00CJAF [0,0,0,1,0,0|1,0,2]=4 723 B8R1.4 CN1CCNC(=O)C1 1P0038FX [0,0,0,1,0,0|2,0,1]=4 724 B8R1.4 CN1CCOC(=O)C1 1P00AODD [0,0,0,1,0,0|2,0,1]=4 725 B8R1.4 C[C@@H]1CC=CC(=O)O1 1P000IL2 [0,0,0,1,0,0|1,0,0]=2 726 B8R1.4 C[C@@H]1CCCC(=O)C1 1P003CM9 [0,0,0,1,0,0|0,0,2]=3 727 B8R1.4 C[C@@H]1CCCC(=O)O1 1P00DE9U [0,0,0,1,0,0|1,0,2]=4 728 B8R1.4 C[C@@H]1CNCC(=O)N1 1P000LY7 [0,0,0,1,0,0|2,0,1]=4 729 B8R1.4 C[C@@H]1CNCC(=O)N1 1P00J39E [0,0,0,1,0,0|2,0,1]=4 730 B8R1.4 C[C@@H]1COCC(=O)N1 1P000Q8W [0,0,0,1,0,0|2,0,1]=4 731 B8R1.4 C[C@@H]1CSCC(=O)N1 1P028I6F [0,0,0,1,0,0|2,0,1]=4 732 B8R1.4 C[C@@H]1NCCC(=O)C1 1P009YI7 [0,0,0,1,0,0|1,0,2]=4 733 B8R1.4 C[C@@H]1NCCC(=O)C1 1P00IDGQ [0,0,0,1,0,0|1,0,2]=4 734 B8R1.4 C[C@H]1CCCC(=O)N1 1P001OOB [0,0,0,1,0,0|1,0,2]=4 735 B8R1.4 C[C@H]1CCCC(C1)=O 1P01KFQT [0,0,0,1,0,0|0,0,2]=3 736 B8R1.4 C[C@H]1CNCC(=O)N1 1P00AO1X [0,0,0,1,0,0|2,0,1]=4 737 B8R1.4 C[C@H]1CNCC(=O)N1 1P00BZA3 [0,0,0,1,0,0|2,0,1]=4 738 B8R1.4 C[C@H]1COCC(=O)N1 1P000Q8X [0,0,0,1,0,0|2,0,1]=4 739 B8R1.4 C[C@H]1CSCC(=O)N1 1P028EU9 [0,0,0,1,0,0|2,0,1]=4 740 B8R1.4 C[C@H]1NCCC(=O)C1 1P00HXCI [0,0,0,1,0,0|1,0,2]=4 741 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,0,0,1,0,0|1,0,2]=4 742 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,0,0,1,0,0|1,0,2]=4 743 B8R1.4 Cc1cccc(c1)C 1P0035QQ [0,0,0,1,0,0|1,0,2]=4 744 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,0,0,1,0,0|1,0,2]=4 745 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,0,0,1,0,0|2,0,1]=4 746 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,0,0,1,0,0|2,0,1]=4 747 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,0,0,1,0,0|2,0,1]=4 748 B8R1.4 FC1CCNC(=O)C1 1P024W9T [0,0,0,1,0,0|2,0,1]=4 749 B8R1.4 NC1CCCC(=O)C1 1P001M8M [0,0,0,1,0,0|1,0,2]=4 750 B8R1.4 NC1CCNC(=O)C1 1P000RYQ [0,0,0,1,0,0|2,0,1]=4 751 B8R1.4 NC1CCNC(=O)C1 1P0036HL [0,0,0,1,0,0|2,0,1]=4 752 B8R1.4 O=C1CC=CC(=O)O1 1P0037LX [0,0,0,1,0,0|2,0,1]=4 753 B8R1.4 O=C1CCOC(C1)C 1P000J00 [0,0,0,1,0,0|1,0,2]=4 754 B8R1.4 O=C1NC=CC(=O)C1 1P01KKXV [0,0,0,1,0,0|2,0,1]=4 755 B8R1.4 O=C1OC=CC(=O)C1 1P0038JQ [0,0,0,1,0,0|2,0,1]=4 756 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,0,0,1,0,0|1,0,2]=4 757 B8R1.4 OC1CCCC(=O)C1 1P008LCR [0,0,0,1,0,0|1,0,2]=4 758 B8R1.4 OC1CCNC(=O)C1 1P003LY9 [0,0,0,1,0,0|2,0,1]=4 759 B8R1.4 O[C@@H]1CCNC(=O)C1 1P008SOD [0,0,0,1,0,0|2,0,1]=4 760 B8R1.4 O[C@H]1CCNC(=O)C1 1P00DK2M [0,0,0,1,0,0|2,0,1]=4 761 B8R1.6 BrCCC1CC(=O)C1 1P00A1I0 [0,0,0,1,0,0|1,0,2]=4 762 B8R1.6 CCCC1CC(=O)C1 1P01DYCU [0,0,0,1,0,0|0,0,2]=3 763 B8R1.6 CCCC1CC(=O)N1 1P002M1S [0,0,0,1,0,0|1,0,1]=3 764 B8R1.6 CCOC1CC(=O)C1 1P01A4XY [0,0,0,1,0,0|1,0,2]=4 765 B8R1.6 COCC1CC(=O)C1 1P003A93 [0,0,0,1,0,0|1,0,2]=4 766 B8R1.6 FCCC1CC(=O)C1 1P028DKJ [0,0,0,1,0,0|1,0,2]=4 767 B8R1.6 NCCC1CC(=O)C1 1P028S0O [0,0,0,1,0,0|1,0,2]=4 768 B8R1.7 CC(=C)C1=NCCO1 1P008X9F [0,0,0,1,0,0|3,0,0]=4 769 B8R1.7 CC(=C)C1CCCC1 1P00E6BB [0,0,0,1,0,0|1,0,2]=4 770 B8R1.7 CC(=O)C1=NCCS1 1P003GRI [0,0,0,1,0,0|2,0,0]=3 771 B8R1.7 CC(=O)C1CCCC1 1P00354R [0,0,0,1,0,0|0,0,2]=3 772 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [0,0,0,1,0,0|1,0,1]=3 773 B8R1.7 CC(=O)C1CNCC1 1P00H3IM [0,0,0,1,0,0|1,0,2]=4 774 B8R1.7 CC(=O)C1CNCC1 1P01EK9N [0,0,0,1,0,0|1,0,2]=4 775 B8R1.7 CC(=O)C1COCC1 1P0097RM [0,0,0,1,0,0|1,0,2]=4 776 B8R1.7 CC(=O)C1CSCC1 1P009O5F [0,0,0,1,0,0|1,0,2]=4 777 B8R1.7 CC(=O)C1NCCS1 1P002CHV [0,0,0,1,0,0|2,0,1]=4 778 B8R1.7 CC(=O)N1CCCC1 1P003EDH [0,0,0,1,0,0|1,0,1]=3 779 B8R1.7 CC(=O)N1CCCO1 1P0288ND [0,0,0,1,0,0|2,0,0]=3 780 B8R1.7 CC(=O)N1COCC1 1P01HYRK [0,0,0,1,0,0|2,0,1]=4 781 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [0,0,0,1,0,0|1,0,1]=3 782 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [0,0,0,1,0,0|1,0,1]=3 783 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,0,0,1,0,0|1,0,2]=4 784 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [0,0,0,1,0,0|2,0,1]=4 785 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [0,0,0,1,0,0|2,0,1]=4 786 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [0,0,0,1,0,0|2,0,1]=4 787 B8R1.7 CC(=O)c1c[nH]nn1 1P01C1S8 [0,0,0,1,0,0|3,0,0]=4 788 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,0,0,1,0,0|1,0,2]=4 789 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,0,0,1,0,0|1,0,2]=4 790 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,0,0,1,0,0|1,0,2]=4 791 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [0,0,0,1,0,0|2,0,1]=4 792 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [0,0,0,1,0,0|2,0,1]=4 793 B8R1.7 CC(=O)c1ccno1 1P0049B3 [0,0,0,1,0,0|2,0,1]=4 794 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,0,0,1,0,0|2,0,1]=4 795 B8R1.7 CC(=O)c1ccon1 1P00490X [0,0,0,1,0,0|2,0,1]=4 796 B8R1.7 CC(=O)c1ccsn1 1P00H14V [0,0,0,1,0,0|2,0,1]=4 797 B8R1.7 CC(=O)c1cnco1 1P009KIG [0,0,0,1,0,0|2,0,1]=4 798 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,0,0,1,0,0|2,0,1]=4 799 B8R1.7 CC(=O)c1cnn[nH]1 1P024SAL [0,0,0,1,0,0|3,0,0]=4 800 B8R1.7 CC(=O)c1cnns1 1P0080BZ [0,0,0,1,0,0|3,0,0]=4 801 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,0,0,1,0,0|1,0,2]=4 802 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [0,0,0,1,0,0|2,0,1]=4 803 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,0,0,1,0,0|1,0,2]=4 804 B8R1.7 CC(=O)c1cscn1 1P007BLA [0,0,0,1,0,0|2,0,1]=4 805 B8R1.7 ClC(=O)C1CCCC1 1P00354M [0,0,0,1,0,0|1,0,2]=4 806 B8R1.7 ClC(=O)C1CCCO1 1P00DMA3 [0,0,0,1,0,0|2,0,1]=4 807 B8R1.7 ClC(=O)N1CCCC1 1P000IT1 [0,0,0,1,0,0|2,0,1]=4 808 B8R1.7 NC(=O)C1CCCC1 1P007HJK [0,0,0,1,0,0|1,0,2]=4 809 B8R1.7 NC(=O)C1CCCN1 1P000GQT [0,0,0,1,0,0|2,0,1]=4 810 B8R1.7 NC(=O)C1CCCN1 1P00BFWF [0,0,0,1,0,0|2,0,1]=4 811 B8R1.7 NC(=O)C1CCCO1 1P003V5L [0,0,0,1,0,0|2,0,1]=4 812 B8R1.7 NC(=O)N1CCCC1 1P00DIWO [0,0,0,1,0,0|2,0,1]=4 813 B8R1.7 NC(=O)[C@@H]1CCCN1 1P0035GU [0,0,0,1,0,0|2,0,1]=4 814 B8R1.7 NC(=O)[C@@H]1CCCN1 1P003D4X [0,0,0,1,0,0|2,0,1]=4 815 B8R1.7 NC(=O)[C@@H]1CCCO1 1P00DE9T [0,0,0,1,0,0|2,0,1]=4 816 B8R1.7 NC(=O)[C@H]1CCCN1 1P006W16 [0,0,0,1,0,0|2,0,1]=4 817 B8R1.7 NC(=O)[C@H]1CCCN1 1P00IBKU [0,0,0,1,0,0|2,0,1]=4 818 B8R1.7 O=C(C1=CCOC1)O 1P01JXNN [0,0,0,1,0,0|2,0,0]=3 819 B8R1.7 OB(C1=CCCC1)O 1P0036WZ [0,0,0,1,0,0|2,0,1]=4 820 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [0,0,0,1,0,0|1,0,0]=2 821 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [0,0,0,1,0,0|2,0,0]=3 822 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [0,0,0,1,0,0|2,0,0]=3 823 B8R1.7 OC(=O)C1=CCNC1 1P028OIS [0,0,0,1,0,0|2,0,0]=3 824 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [0,0,0,1,0,0|2,0,0]=3 825 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [0,0,0,1,0,0|3,0,0]=4 826 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [0,0,0,1,0,0|1,0,2]=4 827 B8R1.7 OC(=O)C1CCCC1 1P003PN2 [0,0,0,1,0,0|1,0,2]=4 828 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [0,0,0,1,0,0|2,0,1]=4 829 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [0,0,0,1,0,0|2,0,1]=4 830 B8R1.7 OC(=O)C1CCCO1 1P001YQG [0,0,0,1,0,0|2,0,1]=4 831 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [0,0,0,1,0,0|2,0,1]=4 832 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [0,0,0,1,0,0|2,0,1]=4 833 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [0,0,0,1,0,0|2,0,1]=4 834 B8R1.7 OC(=O)[C@@H]1CCCO1 1P0032WH [0,0,0,1,0,0|2,0,1]=4 835 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [0,0,0,1,0,0|2,0,1]=4 836 B8R1.7 OC(=O)[C@H]1CCCO1 1P0032US [0,0,0,1,0,0|2,0,1]=4 837 B8R1.7 [O-]C(=O)[C@@H]1CCCN1 1P00AQX8 [0,0,0,1,0,0|2,0,1]=4 838 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,0,0,1,0,0|1,0,2]=4 839 B8R1.22 BrC1=CCCCCC1 1P0024WB [0,0,0,1,0,0|1,0,1]=3 840 B8R1.22 BrC1CCCCC=C1 1P007ANT [0,0,0,1,0,0|1,0,1]=3 841 B8R1.22 CC1=CCCCCC1 1P001L8L [0,0,0,1,0,0|1,0,1]=3 842 B8R1.22 ClC1CCCCC=C1 1P01HURI [0,0,0,1,0,0|1,0,1]=3 843 B8R1.22 NC1=NCCCCC1 1P01AIZP [0,0,0,1,0,0|2,0,1]=4 844 B8R1.22 NC1CCCCC=C1 1P0025SS [0,0,0,1,0,0|1,0,1]=3 845 B8R1.22 O=C1C=CCCC=C1 1P01DYXN [0,0,0,1,0,0|0,0,2]=3 846 B8R1.22 O=C1CCCCCC1 1P0036IB [0,0,0,1,0,0|0,0,2]=3 847 B8R1.22 O=C1CCCCCN1 1P0035A4 [0,0,0,1,0,0|1,0,1]=3 848 B8R1.22 O=C1CCCCCO1 1P003A8V [0,0,0,1,0,0|1,0,1]=3 849 B8R1.22 O=C1CCCCNC1 1P00EIWU [0,0,0,1,0,0|1,0,1]=3 850 B8R1.22 O=C1CCNCCC1 1P003MFC [0,0,0,1,0,0|1,0,2]=4 851 B8R1.22 O=C1CCOCCC1 1P00ED4O [0,0,0,1,0,0|1,0,2]=4 852 B8R1.22 O=C1CCSCCC1 1P01B2XA [0,0,0,1,0,0|1,0,2]=4 853 B8R1.22 O=C1CNCCCN1 1P003E4E [0,0,0,1,0,0|2,0,1]=4 854 B8R1.22 O=C1CNCCCN1 1P003WL1 [0,0,0,1,0,0|2,0,1]=4 855 B8R1.22 O=C1CNCCNC1 1P00I1UP [0,0,0,1,0,0|2,0,1]=4 856 B8R1.22 O=C1CNCCOC1 1P01KWZH [0,0,0,1,0,0|2,0,1]=4 857 B8R1.22 O=C1COCCCN1 1P00IB9U [0,0,0,1,0,0|2,0,1]=4 858 B8R1.22 O=C1COCCOC1 1P00C30M [0,0,0,1,0,0|2,0,1]=4 859 B8R1.22 O=C1CSCCSC1 1P00C6E1 [0,0,0,1,0,0|2,0,1]=4 860 B8R1.22 O=C1NCCC=CC1 1P01DWJ5 [0,0,0,1,0,0|1,0,2]=4 861 B8R1.22 O=C1NCCCC=C1 1P00BVP9 [0,0,0,1,0,0|1,0,0]=2 862 B8R1.22 O=C1NCCCCO1 1P021TXQ [0,0,0,1,0,0|2,0,1]=4 863 B8R1.22 O=C1NCCNCC1 1P002K29 [0,0,0,1,0,0|2,0,1]=4 864 B8R1.22 O=C1NCCNCC1 1P00BZ97 [0,0,0,1,0,0|2,0,1]=4 865 B8R1.22 O=C1NCCNCC1 1P00I3AA [0,0,0,1,0,0|2,0,1]=4 866 B8R1.22 O=C1NCCOCC1 1P00333S [0,0,0,1,0,0|2,0,1]=4 867 B8R1.22 O=C1NCCSCC1 1P002VGS [0,0,0,1,0,0|2,0,1]=4 868 B8R1.22 O=C1OCCCCO1 1P003AZX [0,0,0,1,0,0|2,0,1]=4 869 B8R1.22 O=C1OCCOCC1 1P003E79 [0,0,0,1,0,0|2,0,1]=4 870 B8R1.22 [O-]C1=NCCCCC1 1P001AF8 [0,0,0,1,0,0|1,0,2]=4 871 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [0,0,0,1,0,0|1,0,2]=4 872 B8R1.31 CC1CCN1C(=O)Cl 1P028D8P [0,0,0,1,0,0|2,0,1]=4 873 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P00I3DK [0,0,0,1,0,0|2,0,1]=4 874 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P028NBG [0,0,0,1,0,0|2,0,1]=4 875 B8R1.34 CC(=O)C=C1COC1 1P0017D4 [0,0,0,1,0,0|1,0,0]=2 876 B8R1.34 CC(=O)CC1CCC1 1P000UO9 [0,0,0,1,0,0|0,0,2]=3 877 B8R1.34 CC(=O)CC1COC1 1P009ABG [0,0,0,1,0,0|1,0,2]=4 878 B8R1.34 CC(=O)NC1CNC1 1P0006Y6 [0,0,0,1,0,0|2,0,1]=4 879 B8R1.34 CC(=O)OC1CNC1 1P008W08 [0,0,0,1,0,0|2,0,1]=4 880 B8R1.34 CC(=O)OC1CNC1 1P00FEQ5 [0,0,0,1,0,0|2,0,1]=4 881 B8R1.34 CC(=O)OC1CNC1 1P00HURF [0,0,0,1,0,0|2,0,1]=4 882 B8R1.34 CC(=O)OC1COC1 1P01DTTU [0,0,0,1,0,0|2,0,1]=4 883 B8R1.34 ClC(=O)NC1CCC1 1P0285ES [0,0,0,1,0,0|2,0,1]=4 884 B8R1.34 NC(=O)NC1CCC1 1P0059OR [0,0,0,1,0,0|2,0,1]=4 885 B8R1.34 OC(=O)C=C1CCC1 1P00BJ55 [0,0,0,1,0,0|1,0,0]=2 886 B8R1.34 OC(=O)CC1CCC1 1P003PKJ [0,0,0,1,0,0|1,0,2]=4 887 B8R1.34 OC(=O)CN1CCC1 1P01A2PZ [0,0,0,1,0,0|2,0,1]=4 888 B8R1.34 [O-][N+](=O)C=C1COC1 1P00H06B [0,0,0,1,0,0|3,0,0]=4 889 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,0,0,1,0,0|0,0,2]=3 890 B8R1.35 CC(=O)OCC1CO1 1P00KE2H [0,0,0,1,0,0|2,0,1]=4 891 B8R1.35 ClC(=O)NCC1CC1 1P0284IH [0,0,0,1,0,0|2,0,1]=4 892 B8R1.35 ClC(=O)OCC1CC1 1P01ADOW [0,0,0,1,0,0|2,0,1]=4 893 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,0,0,1,0,0|1,0,2]=4 894 B8R1.35 NC(=O)NCC1CC1 1P00F5EJ [0,0,0,1,0,0|2,0,1]=4 895 B8R1.35 OB(\C=C\C1CC1)O 1P00IGKK [0,0,0,1,0,0|2,0,1]=4 896 B8R1.35 OC(=O)C#CC1CC1 1P008R3C [0,0,0,1,0,0|1,0,2]=4 897 B8R1.35 OC(=O)C=CC1CC1 1P019FIA [0,0,0,1,0,0|1,0,0]=2 898 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,0,0,1,0,0|1,0,2]=4 899 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,0,0,1,0,0|2,0,1]=4 900 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,0,0,1,0,0|2,0,1]=4 901 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,0,0,1,0,0|2,0,1]=4 902 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,0,0,1,0,0|2,0,1]=4 903 B8R1.35 OC(=O)\C=C\C1CC1 1P00EM8D [0,0,0,1,0,0|1,0,0]=2 904 B8R1.35 [O-][N+](=O)C=CC1CC1 1P019SXQ [0,0,0,1,0,0|2,0,0]=3 905 B8R1.43 CCC1CC1C(=O)O 1P006GY6 [0,0,0,1,0,0|1,0,2]=4 906 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O 1P01C7Q9 [0,0,0,1,0,0|1,0,2]=4 907 B8R1.43 CO[C@@H]1C[C@H]1C(=O)C 1P009O61 [0,0,0,1,0,0|1,0,2]=4 908 B8R1.72 CC1(C)CCCN=C1 1P01AD4U [0,0,0,1,0,0|2,0,1]=4 909 B8R1.72 CC1(O)CCCC=C1 1P00CCUM [0,0,0,1,0,0|0,0,2]=3 910 B8R1.72 O=S1(=O)CCCC=C1 1P01AC7N [0,0,0,1,0,0|2,0,0]=3 911 B8R1.72 O=S1(=O)NCCC=C1 1P028X0G [0,0,0,1,0,0|3,0,0]=4 912 B5R0.1 BrCC=C(C)C 1P0033YB [2,0,0,0,0,0|2,0,0]=4 913 B5R0.1 CC#CC(=O)C 1P008R9O [2,0,0,0,0,0|0,0,2]=4 914 B5R0.1 CC(=C)CCBr 1P002D6V [2,0,0,0,0,0|2,0,0]=4 915 B5R0.1 CC(=C)CCI 1P01BBJI [2,0,0,0,0,0|2,0,0]=4 916 B5R0.1 CC(=C)CCN 1P01AVCN [2,0,0,0,0,0|2,0,0]=4 917 B5R0.1 CC(=C)CCO 1P003K67 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.1 CC(=O)C=NO 1P00314I [2,0,0,0,0,0|2,0,0]=4 919 B5R0.1 CC(=O)CC#N 1P002PIW [2,0,0,0,0,0|1,0,1]=4 920 B5R0.1 CC(=O)CC=C 1P001AA7 [2,0,0,0,0,0|0,0,2]=4 921 B5R0.1 CC(=O)CCBr 1P002W1I [2,0,0,0,0,0|1,0,0]=3 922 B5R0.1 CC(=O)CCCl 1P0036JS [2,0,0,0,0,0|1,0,0]=3 923 B5R0.1 CC(=O)CCI 1P028RF9 [2,0,0,0,0,0|1,0,0]=3 924 B5R0.1 CC(=O)CCN 1P00I4LI [2,0,0,0,0,0|1,0,0]=3 925 B5R0.1 CC(=O)CCO 1P0034IJ [2,0,0,0,0,0|1,0,0]=3 926 B5R0.1 CC(=O)NC=C 1P003TV1 [2,0,0,0,0,0|1,0,1]=4 927 B5R0.1 CC(=O)NCO 1P0037Q6 [2,0,0,0,0,0|2,0,0]=4 928 B5R0.1 CC(=O)OC=C 1P003O49 [2,0,0,0,0,0|1,0,1]=4 929 B5R0.1 CC(=O)OCBr 1P003P1B [2,0,0,0,0,0|2,0,0]=4 930 B5R0.1 CC(=O)OCCl 1P0037HI [2,0,0,0,0,0|2,0,0]=4 931 B5R0.1 CC(=O)OCI 1P01BE17 [2,0,0,0,0,0|2,0,0]=4 932 B5R0.1 CC(=O)SCBr 1P01BIB9 [2,0,0,0,0,0|2,0,0]=4 933 B5R0.1 CC(=O)SCI 1P01EMD1 [2,0,0,0,0,0|2,0,0]=4 934 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [2,0,0,0,0,0|1,0,0]=3 935 B5R0.1 CC=CC(=O)C 1P0039SF [2,0,0,0,0,0|0,0,0]=2 936 B5R0.1 CC=CC(=O)N 1P002NE7 [2,0,0,0,0,0|1,0,0]=3 937 B5R0.1 CCCC(=C)C 1P003I23 [2,0,0,0,0,0|1,0,0]=3 938 B5R0.1 CCCC(=N)N 1P003ABQ [2,0,0,0,0,0|2,0,0]=4 939 B5R0.1 CCCC(=O)C 1P0038PH [2,0,0,0,0,0|0,0,0]=2 940 B5R0.1 CCCC(=O)N 1P003P36 [2,0,0,0,0,0|1,0,0]=3 941 B5R0.1 CCCC(=O)O 1P0038GU [2,0,0,0,0,0|1,0,0]=3 942 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [2,0,0,0,0,0|1,0,0]=3 943 B5R0.1 CCCC(=O)[O-] 1P01XCJO [2,0,0,0,0,0|1,0,0]=3 944 B5R0.1 CCCC(=S)N 1P001WK6 [2,0,0,0,0,0|1,1,0]=4 945 B5R0.1 CCCC(=S)O 1P003K88 [2,0,0,0,0,0|1,0,1]=4 946 B5R0.1 CCCC(Br)C 1P003BNB [2,0,0,0,0,0|1,0,1]=4 947 B5R0.1 CCCC(N)C 1P003H0I [2,0,0,0,0,0|1,0,1]=4 948 B5R0.1 CCCC(N)C 1P019VIM [2,0,0,0,0,0|1,0,1]=4 949 B5R0.1 CCCC(O)C 1P00F3M1 [2,0,0,0,0,0|0,0,2]=4 950 B5R0.1 CCCC(S)C 1P002K5F [2,0,0,0,0,0|0,1,1]=4 951 B5R0.1 CCCN(=O)=O 1P003F15 [2,0,0,0,0,0|2,0,0]=4 952 B5R0.1 CCCS(=O)Cl 1P002N6R [2,0,0,0,0,0|2,0,0]=4 953 B5R0.1 CCCS(=O)N 1P01BFYB [2,0,0,0,0,0|2,0,0]=4 954 B5R0.1 CCC[C@@H](N)C 1P003AOE [2,0,0,0,0,0|1,0,1]=4 955 B5R0.1 CCC[C@@H](O)C 1P002SLB [2,0,0,0,0,0|0,0,2]=4 956 B5R0.1 CCC[C@H](N)C 1P01DUMC [2,0,0,0,0,0|1,0,1]=4 957 B5R0.1 CCC[C@H](O)C 1P0032K0 [2,0,0,0,0,0|0,0,2]=4 958 B5R0.1 CCNC(=O)C 1P003TGP [2,0,0,0,0,0|1,0,0]=3 959 B5R0.1 CCNC(=O)N 1P0035E0 [2,0,0,0,0,0|2,0,0]=4 960 B5R0.1 CCOC(=N)C 1P0035CH [2,0,0,0,0,0|2,0,0]=4 961 B5R0.1 CCOC(=O)C 1P001G6Z [2,0,0,0,0,0|1,0,0]=3 962 B5R0.1 CCOC(=O)N 1P003691 [2,0,0,0,0,0|2,0,0]=4 963 B5R0.1 CCOC(=S)C 1P003QF6 [2,0,0,0,0,0|1,1,0]=4 964 B5R0.1 CCOP(=O)C 1P001V0C [2,0,0,0,0,0|2,0,0]=4 965 B5R0.1 CNCC(=C)C 1P01BV54 [2,0,0,0,0,0|2,0,0]=4 966 B5R0.1 CNCC(=O)N 1P0033CB [2,0,0,0,0,0|2,0,0]=4 967 B5R0.1 CNCC(=O)O 1P003UNZ [2,0,0,0,0,0|2,0,0]=4 968 B5R0.1 CNCC(=O)O 1P003UO1 [2,0,0,0,0,0|2,0,0]=4 969 B5R0.1 CNNC(=O)C 1P0284CW [2,0,0,0,0,0|2,0,0]=4 970 B5R0.1 CNOC(=O)C 1P003TW6 [2,0,0,0,0,0|2,0,0]=4 971 B5R0.1 COCC(=C)C 1P00CC6P [2,0,0,0,0,0|2,0,0]=4 972 B5R0.1 COCC(=O)C 1P0035LL [2,0,0,0,0,0|1,0,0]=3 973 B5R0.1 COCC(=O)Cl 1P003RYU [2,0,0,0,0,0|2,0,0]=4 974 B5R0.1 COCC(=O)N 1P001UIN [2,0,0,0,0,0|2,0,0]=4 975 B5R0.1 COCC(=O)O 1P0035LK [2,0,0,0,0,0|2,0,0]=4 976 B5R0.1 CONC(=O)C 1P0037YO [2,0,0,0,0,0|2,0,0]=4 977 B5R0.1 CS(=O)CCCl 1P01C4QD [2,0,0,0,0,0|2,0,0]=4 978 B5R0.1 CS(=O)CCN 1P00DGD5 [2,0,0,0,0,0|2,0,0]=4 979 B5R0.1 CSCC(=O)C 1P001GCU [2,0,0,0,0,0|1,0,0]=3 980 B5R0.1 CSCC(=O)Cl 1P007DQ1 [2,0,0,0,0,0|2,0,0]=4 981 B5R0.1 CSCC(=O)N 1P0039C2 [2,0,0,0,0,0|2,0,0]=4 982 B5R0.1 CSCC(=O)O 1P003CI8 [2,0,0,0,0,0|2,0,0]=4 983 B5R0.1 CSCS(=O)C 1P003SLK [2,0,0,0,0,0|2,0,0]=4 984 B5R0.1 C\C=C\C(=O)C 1P0032ET [2,0,0,0,0,0|0,0,0]=2 985 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [2,0,0,0,0,0|1,0,0]=3 986 B5R0.1 C\C=C\C(=O)N 1P00EF6M [2,0,0,0,0,0|1,0,0]=3 987 B5R0.1 C\C=C\C(=O)O 1P00353L [2,0,0,0,0,0|1,0,0]=3 988 B5R0.1 C\C=C\C(O)C 1P003KBH [2,0,0,0,0,0|0,0,2]=4 989 B5R0.1 ClC(=O)CCBr 1P003JLT [2,0,0,0,0,0|2,0,0]=4 990 B5R0.1 ClCC=C(C)C 1P00387Y [2,0,0,0,0,0|2,0,0]=4 991 B5R0.1 FCCC(=O)Cl 1P006UO9 [2,0,0,0,0,0|2,0,0]=4 992 B5R0.1 IC\C=C(/I)\C 1P009JLH [2,0,0,0,0,0|2,0,0]=4 993 B5R0.1 IC\C=C(\I)/C 1P01WK7O [2,0,0,0,0,0|2,0,0]=4 994 B5R0.1 NC(=O)CCBr 1P003919 [2,0,0,0,0,0|2,0,0]=4 995 B5R0.1 NC(=O)CCCl 1P003JS0 [2,0,0,0,0,0|2,0,0]=4 996 B5R0.1 NC(=O)CCO 1P002TZD [2,0,0,0,0,0|2,0,0]=4 997 B5R0.1 NC(=O)CCS 1P0038WG [2,0,0,0,0,0|2,0,0]=4 998 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [2,0,0,0,0,0|2,0,0]=4 999 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [2,0,0,0,0,0|2,0,0]=4 1000 B5R0.1 NCC=C(C)C 1P0018SM [2,0,0,0,0,0|2,0,0]=4 1001 B5R0.1 NCC=C(C)C 1P00BCD3 [2,0,0,0,0,0|2,0,0]=4 1002 B5R0.1 NCCC(=O)N 1P00E94U [2,0,0,0,0,0|2,0,0]=4 1003 B5R0.1 NCCC(=O)O 1P00369Y [2,0,0,0,0,0|2,0,0]=4 1004 B5R0.1 O=CC=C(C)C 1P00347P [2,0,0,0,0,0|2,0,0]=4 1005 B5R0.1 OC(=O)CCBr 1P003JLR [2,0,0,0,0,0|2,0,0]=4 1006 B5R0.1 OC(=O)CCCl 1P003JS1 [2,0,0,0,0,0|2,0,0]=4 1007 B5R0.1 OC(=O)CCF 1P00DG5V [2,0,0,0,0,0|2,0,0]=4 1008 B5R0.1 OC(=O)CCI 1P001G70 [2,0,0,0,0,0|2,0,0]=4 1009 B5R0.1 OC(=O)CCS 1P00347D [2,0,0,0,0,0|2,0,0]=4 1010 B5R0.1 OC(=O)\C=C/Br 1P001VXS [2,0,0,0,0,0|2,0,0]=4 1011 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [2,0,0,0,0,0|2,0,0]=4 1012 B5R0.1 OC(=O)\C=C/I 1P00E99X [2,0,0,0,0,0|2,0,0]=4 1013 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [2,0,0,0,0,0|2,0,0]=4 1014 B5R0.1 OC(=O)\C=C\I 1P003CHA [2,0,0,0,0,0|2,0,0]=4 1015 B5R0.1 OCC=C(C)C 1P003K5R [2,0,0,0,0,0|2,0,0]=4 1016 B5R0.1 OCCC(=C)C 1P008NDS [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.1 OCCC(=O)O 1P00387S [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.1 SCC=C(C)C 1P00DAZ6 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.1 SCCC(=O)O 1P007OUY [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.1 [O-]C(=O)CCC 1P001OVQ [2,0,0,0,0,0|1,0,0]=3 1021 B5R0.1 [O-]C(=O)CCN 1P001XGH [2,0,0,0,0,0|2,0,0]=4 1022 B5R0.1 [O-]C(=O)CCO 1P00EFHM [2,0,0,0,0,0|2,0,0]=4 1023 B5R0.1 [O-]C(=O)CNC 1P003UUQ [2,0,0,0,0,0|2,0,0]=4 1024 B5R0.1 [O-]C=CC(=O)C 1P028582 [2,0,0,0,0,0|1,0,0]=3 1025 B5R0.1 [O-]S(=O)CCC 1P01BCHD [2,0,0,0,0,0|2,0,0]=4 1026 B5R0.1 [O-][N+](=O)C=CC 1P00AT3U [2,0,0,0,0,0|2,0,0]=4 1027 B5R0.2 BrCCC=C=C 1P028V8I [2,0,0,0,0,0|1,0,1]=4 1028 B5R0.2 BrCCCC=C 1P0034NV [2,0,0,0,0,0|1,0,1]=4 1029 B5R0.2 BrCCCC=O 1P01A6RF [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.2 BrCC\C=C\Br 1P028NCC [2,0,0,0,0,0|2,0,0]=4 1031 B5R0.2 CC=CCCBr 1P00DR1G [2,0,0,0,0,0|1,0,0]=3 1032 B5R0.2 CC=CCCN 1P01AIX4 [2,0,0,0,0,0|1,0,0]=3 1033 B5R0.2 CC=CCON 1P0284EA [2,0,0,0,0,0|2,0,0]=4 1034 B5R0.2 CCC#CC=O 1P01IEPI [2,0,0,0,0,0|0,0,2]=4 1035 B5R0.2 CCC=C=CBr 1P028KXN [2,0,0,0,0,0|1,0,1]=4 1036 B5R0.2 CCC=CCN 1P01AV04 [2,0,0,0,0,0|1,0,1]=4 1037 B5R0.2 CCCCC=O 1P003VQU [2,0,0,0,0,0|0,0,1]=3 1038 B5R0.2 CCCCNC 1P003TNV [2,0,0,0,0,0|1,0,1]=4 1039 B5R0.2 CCCNOC 1P02867D [2,0,0,0,0,0|2,0,0]=4 1040 B5R0.2 CCCOC=C 1P0035ZV [2,0,0,0,0,0|1,0,0]=3 1041 B5R0.2 CCCSSC 1P003SIY [2,0,0,0,0,0|2,0,0]=4 1042 B5R0.2 CCNCC=C 1P019XC1 [2,0,0,0,0,0|1,0,1]=4 1043 B5R0.2 CCNCCC 1P003THE [2,0,0,0,0,0|1,0,1]=4 1044 B5R0.2 CCOC=CC 1P003ER0 [2,0,0,0,0,0|1,0,0]=3 1045 B5R0.2 CCON=CC 1P028C19 [2,0,0,0,0,0|2,0,0]=4 1046 B5R0.2 CCO\C=C/Br 1P00BCUN [2,0,0,0,0,0|2,0,0]=4 1047 B5R0.2 CCSCC=O 1P01AC7G [2,0,0,0,0,0|1,0,1]=4 1048 B5R0.2 CCSCCC 1P003QWW [2,0,0,0,0,0|1,0,1]=4 1049 B5R0.2 CC\C=C/CBr 1P005NSO [2,0,0,0,0,0|1,0,1]=4 1050 B5R0.2 CC\C=C/CN 1P028U5O [2,0,0,0,0,0|1,0,1]=4 1051 B5R0.2 CC\C=C/CO 1P001Q0D [2,0,0,0,0,0|0,0,2]=4 1052 B5R0.2 CC\C=C\C=O 1P001Q0F [2,0,0,0,0,0|0,0,0]=2 1053 B5R0.2 CNCCC=C 1P01B1UO [2,0,0,0,0,0|1,0,1]=4 1054 B5R0.2 CNCCC=C 1P01DH0V [2,0,0,0,0,0|1,0,1]=4 1055 B5R0.2 COCCC=C 1P01B6VT [2,0,0,0,0,0|1,0,1]=4 1056 B5R0.2 COCCC=O 1P007M22 [2,0,0,0,0,0|1,0,1]=4 1057 B5R0.2 CSCCC=O 1P003IQ1 [2,0,0,0,0,0|1,0,1]=4 1058 B5R0.2 C\C=C\CC#N 1P001WIR [2,0,0,0,0,0|1,0,1]=4 1059 B5R0.2 C\C=C\CCBr 1P005EJH [2,0,0,0,0,0|1,0,0]=3 1060 B5R0.2 C\C=C\CCO 1P008QP2 [2,0,0,0,0,0|1,0,0]=3 1061 B5R0.2 ClCCCC=C 1P00GTCI [2,0,0,0,0,0|1,0,1]=4 1062 B5R0.2 ClCCCC=O 1P00EH8M [2,0,0,0,0,0|1,0,1]=4 1063 B5R0.2 ClCCOC=C 1P0083TO [2,0,0,0,0,0|2,0,0]=4 1064 B5R0.2 ICCCC=C 1P005H24 [2,0,0,0,0,0|1,0,1]=4 1065 B5R0.2 NCCC=C=C 1P028WDJ [2,0,0,0,0,0|1,0,1]=4 1066 B5R0.2 NCCCC=C 1P002UI5 [2,0,0,0,0,0|1,0,1]=4 1067 B5R0.2 NCCCC=C 1P00BFBD [2,0,0,0,0,0|1,0,1]=4 1068 B5R0.2 NCC\C=C\Br 1P028WMI [2,0,0,0,0,0|2,0,0]=4 1069 B5R0.2 NC\C=C\C=C 1P01FIJ9 [2,0,0,0,0,0|1,0,1]=4 1070 B5R0.2 OCCCC=C 1P004WX4 [2,0,0,0,0,0|1,0,1]=4 1071 B5R0.2 OCCCC=O 1P00BGD0 [2,0,0,0,0,0|1,0,1]=4 1072 B5R0.2 OCCOC=C 1P003QZ8 [2,0,0,0,0,0|2,0,0]=4 1073 B5R0.2 OCCOC=O 1P00EL36 [2,0,0,0,0,0|2,0,0]=4 1074 B7R0.2 *C(OC(=O)C)C* 1P003UAU [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.2 CC(=O)NC(=O)CBr 1P007ICG [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.2 CC(=O)NC(=O)CCl 1P001ZL0 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.2 CC(=O)OC(CBr)Br 1P007NQ4 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.2 CC(CC)CC(=O)O 1P00359B [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [1,1,0,0,0,0|2,0,0]=4 1082 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [1,1,0,0,0,0|0,0,1]=3 1083 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [1,1,0,0,0,0|1,0,0]=3 1084 B7R0.2 CCC(CC(=O)C)C 1P0038PR [1,1,0,0,0,0|0,0,1]=3 1085 B7R0.2 CCC(CC(=O)O)N 1P003ANY [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.2 CCC(CC(=O)O)O 1P0007RC [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.2 CCN(CC(=O)C)C 1P0091DD [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.2 CNC(=O)CC(=O)C 1P00294W [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.2 CNC(=O)NC(=O)C 1P003ED7 [1,1,0,0,0,0|2,0,0]=4 1096 B7R0.2 COC(=O)C=C(C)C 1P003IU0 [1,1,0,0,0,0|2,0,0]=4 1097 B7R0.2 COC(=O)C=C(N)C 1P001I49 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.2 COC(=O)CC(=O)C 1P003SFS [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.2 COC(=O)\C=C(\C)/[O-] 1P007HC6 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [1,1,0,0,0,0|1,0,0]=3 1101 B7R0.2 CSC(=S)CC(=O)C 1P028YW3 [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [1,1,0,0,0,0|1,0,0]=3 1105 B7R0.2 C\C(=C/C(=O)O)\CN 1P028ZWZ [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.2 ClCC(=O)C=C(C)C 1P003WCV [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.2 [O-]C(=O)\C=C(\CO)/C 1P02842A [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.3 BrCCCC(=O)CBr 1P01C40P [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.3 BrCCCC(=O)CC 1P0029WY [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.3 CC(C=O)CCCC 1P006HJQ [1,1,0,0,0,0|0,0,2]=4 1111 B7R0.3 CCCCC(=C)CC 1P001UBV [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.3 CCCCC(=O)CBr 1P021RD0 [1,1,0,0,0,0|0,0,1]=3 1113 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,1,0,0,0,0|0,0,1]=3 1114 B7R0.3 CCCCC(=O)CCl 1P0028ST [1,1,0,0,0,0|0,0,1]=3 1115 B7R0.3 CCCCC(=O)CN 1P01HITA [1,1,0,0,0,0|0,0,1]=3 1116 B7R0.3 CCCCC(=O)NN 1P003VQV [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.3 CCCCC(=O)OC 1P003SJO [1,1,0,0,0,0|0,0,1]=3 1118 B7R0.3 CCCNC(=O)C=C 1P002RS9 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.3 CCCNC(=O)CBr 1P01ANPB [1,1,0,0,0,0|1,0,0]=3 1120 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,1,0,0,0,0|1,0,0]=3 1121 B7R0.3 CCCNC(=O)CCl 1P001AW7 [1,1,0,0,0,0|1,0,0]=3 1122 B7R0.3 CCCNC(=O)CN 1P00ED4J [1,1,0,0,0,0|1,0,0]=3 1123 B7R0.3 CCCNC(=O)NN 1P019YGA [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.3 CCCOC(=O)C=C 1P003TSC [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.3 CCCOC(=O)CC 1P0035ZU [1,1,0,0,0,0|1,0,0]=3 1126 B7R0.3 CCCOC(=O)OC 1P00E956 [1,1,0,0,0,0|1,0,0]=3 1127 B7R0.3 CCNCC(=O)NC 1P019NG5 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.3 CCNCC(=O)NC 1P01EBZ2 [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.3 CCNCC(=O)OC 1P00HCTF [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.3 CCOCC(=O)CCl 1P00FH3Q [1,1,0,0,0,0|1,0,1]=4 1131 B7R0.3 CCOCC(=O)OC 1P002545 [1,1,0,0,0,0|1,0,1]=4 1132 B7R0.3 CCONC(=O)CBr 1P028YA5 [1,1,0,0,0,0|2,0,0]=4 1133 B7R0.3 CCONC(=O)CN 1P01C6ZE [1,1,0,0,0,0|2,0,0]=4 1134 B7R0.3 CCONC(=O)CO 1P021TGZ [1,1,0,0,0,0|2,0,0]=4 1135 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.3 CC\C=C\C(=O)OC 1P001QA2 [1,1,0,0,0,0|0,0,0]=2 1137 B7R0.3 CNC(=O)CCCCl 1P019VUY [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.3 CNC(=O)CCCN 1P00AXOC [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.3 CNC(=O)CCCS 1P01A62M [1,1,0,0,0,0|1,0,1]=4 1140 B7R0.3 CNC(=O)NCCO 1P00EE24 [1,1,0,0,0,0|2,0,0]=4 1141 B7R0.3 CNC(=O)OCCO 1P0011WV [1,1,0,0,0,0|2,0,0]=4 1142 B7R0.3 CNCCC(=O)NC 1P003TN5 [1,1,0,0,0,0|1,0,1]=4 1143 B7R0.3 CNCCC(=O)NC 1P00EEY9 [1,1,0,0,0,0|1,0,1]=4 1144 B7R0.3 CNCCC(=O)OC 1P002OYU [1,1,0,0,0,0|1,0,1]=4 1145 B7R0.3 CNCCC(=O)OC 1P00IBX1 [1,1,0,0,0,0|1,0,1]=4 1146 B7R0.3 COC(=O)C=CC=C 1P001NUD [1,1,0,0,0,0|0,0,2]=4 1147 B7R0.3 COC(=O)C=CCBr 1P00EAIU [1,1,0,0,0,0|1,0,0]=3 1148 B7R0.3 COC(=O)CCCBr 1P0035O3 [1,1,0,0,0,0|1,0,1]=4 1149 B7R0.3 COC(=O)CCCCl 1P0034GP [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.3 COC(=O)CCCI 1P003SCF [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.3 COC(=O)CCCN 1P000UR2 [1,1,0,0,0,0|1,0,1]=4 1152 B7R0.3 COC(=O)CCCS 1P00C7YW [1,1,0,0,0,0|1,0,1]=4 1153 B7R0.3 COC(=O)NCCN 1P01C256 [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.3 COC(=O)NCCO 1P01AK5W [1,1,0,0,0,0|2,0,0]=4 1155 B7R0.3 COC(=O)\C=C\C#N 1P01JCBK [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.3 COC(=O)\C=C\C=C 1P01E4CN [1,1,0,0,0,0|0,0,2]=4 1157 B7R0.3 COC(=O)\C=C\C=O 1P003R5P [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.3 COC(=O)\C=C\CBr 1P0039JW [1,1,0,0,0,0|1,0,0]=3 1159 B7R0.3 COC(=O)\C=C\CN 1P01KKZ5 [1,1,0,0,0,0|1,0,0]=3 1160 B7R0.3 COC(=O)\C=C\CO 1P002Z9E [1,1,0,0,0,0|1,0,0]=3 1161 B7R0.3 COC=CC(=O)OC 1P00E9GS [1,1,0,0,0,0|1,0,0]=3 1162 B7R0.3 COCCC(=O)CBr 1P027L2W [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.3 COCCC(=O)CCl 1P01A0MB [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.3 COCCC(=O)NC 1P01EW86 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.3 COCCC(=O)OC 1P003S9I [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.3 COCNC(=O)OC 1P007I6E [1,1,0,0,0,0|2,0,0]=4 1167 B7R0.3 COCOC(=O)CC 1P01DXTO [1,1,0,0,0,0|2,0,0]=4 1168 B7R0.3 CO\C=C\C(=O)OC 1P0035NO [1,1,0,0,0,0|1,0,0]=3 1169 B7R0.3 CSC=CC(=O)OC 1P01BI6J [1,1,0,0,0,0|1,0,0]=3 1170 B7R0.3 CSCCC(=O)NC 1P028IDE [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.3 CSCCC(=O)OC 1P003S6K [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.3 C[C@H](C=O)CCCC 1P006QRH [1,1,0,0,0,0|0,0,2]=4 1173 B7R0.3 ClCCCC(=O)CC 1P01AC2E [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.3 ClCCCC(=O)CCl 1P005KNM [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.3 FCCNC(=O)CN 1P01BI6W [1,1,0,0,0,0|2,0,0]=4 1176 B7R0.3 ICCCC(=O)CC 1P0292M5 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.3 NCCNC(=O)CC 1P01DTQO [1,1,0,0,0,0|2,0,0]=4 1178 B7R0.3 NCCNC(=O)CC 1P01XCPR [1,1,0,0,0,0|2,0,0]=4 1179 B7R0.3 NCCNC(=O)CCl 1P01KKS1 [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.3 NCCNC(=O)CN 1P02802M [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.3 NCCNC(=O)CO 1P027UD6 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.3 NCCNC(=O)NC 1P01C42K [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.3 NC\C=C\C(=O)OC 1P00IN61 [1,1,0,0,0,0|1,0,0]=3 1184 B7R0.3 OCCNC(=O)CC 1P0024IT [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.3 OCCNC(=O)CN 1P008OS2 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.3 OCCNC(=O)CO 1P007ESF [1,1,0,0,0,0|2,0,0]=4 1187 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,1,0,0,0,0|2,0,0]=4 1188 B7R0.5 CC(=O)C(CCBr)Br 1P01DX0N [1,1,0,0,0,0|1,0,1]=4 1189 B7R0.5 CC(=O)C(CCBr)F 1P00ELFB [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.5 CC(=O)C(CCCl)Cl 1P00EM1D [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [1,1,0,0,0,0|1,0,1]=4 1194 B7R0.5 CC(C(=O)N)CCC 1P00607Q [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [1,1,0,0,0,0|1,0,0]=3 1197 B7R0.5 CCCC(=C)C(=O)Cl 1P005BJY [1,1,0,0,0,0|1,0,0]=3 1198 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,1,0,0,0,0|1,0,0]=3 1199 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [1,1,0,0,0,0|0,0,0]=2 1200 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [1,1,0,0,0,0|1,0,0]=3 1201 B7R0.5 CCCC(=O)C(C)C 1P003I37 [1,1,0,0,0,0|1,0,1]=4 1202 B7R0.5 CCCC(=O)N(C)C 1P003T1N [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [1,1,0,0,0,0|0,0,1]=3 1204 B7R0.5 CCCC(C(=O)N)Br 1P02852A [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.5 CCCC(C(=O)N)N 1P01B51A [1,1,0,0,0,0|1,0,1]=4 1206 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,1,0,0,0,0|1,0,1]=4 1209 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,1,0,0,0,0|1,0,1]=4 1210 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,1,0,0,0,0|1,0,1]=4 1213 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,1,0,0,0,0|1,0,1]=4 1217 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.5 CCOC(=O)C(=C)C 1P003QWF [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.5 CCOC(=O)C(=O)Cl 1P00DEIK [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.5 CCOC(=O)C(=O)N 1P003QWZ [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.5 CCOC(=O)C(=O)O 1P003QF4 [1,1,0,0,0,0|2,0,0]=4 1225 B7R0.5 CN(C(=O)C)CCCl 1P01G5MO [1,1,0,0,0,0|2,0,0]=4 1226 B7R0.5 CN(C(=O)C)CCN 1P00H55D [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.5 CN(C(=O)C)CCO 1P001OKA [1,1,0,0,0,0|2,0,0]=4 1228 B7R0.5 CN(C(=O)Cl)CCC 1P00E2CP [1,1,0,0,0,0|2,0,0]=4 1229 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.5 COCC(C(=O)C)C 1P00AXOM [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,1,0,0,0,0|1,0,0]=3 1232 B7R0.5 C\C(=C/CCl)\C(=O)O 1P01I3DR [1,1,0,0,0,0|2,0,0]=4 1233 B7R0.5 OC\C=C(\C(=O)O)/C 1P028VCA [1,1,0,0,0,0|2,0,0]=4 1234 B7R0.5 [O-]C(=O)C(=O)OCC 1P002F4M [1,1,0,0,0,0|2,0,0]=4 1235 B7R0.6 CC(=C)CCC(=O)C 1P003NCD [1,1,0,0,0,0|0,0,2]=4 1236 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [1,1,0,0,0,0|0,0,2]=4 1238 B7R0.6 CC(=O)COC(C)C 1P0071XC [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [1,1,0,0,0,0|0,0,0]=2 1242 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [1,1,0,0,0,0|1,0,0]=3 1243 B7R0.6 CC(CCC(=C)C)Br 1P01DWFQ [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.6 CC(CCC(=C)C)N 1P01DVQ0 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.6 CC(CCC(=C)C)O 1P006YC2 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.6 CC(CCC(=O)C)C 1P003NBT [1,1,0,0,0,0|0,0,1]=3 1247 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [1,1,0,0,0,0|0,0,1]=3 1248 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.6 CC(CCC(=O)N)C 1P007DVM [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.6 CC(CCC(=O)O)C 1P003M9R [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.6 CC(CCC(=O)O)N 1P001A2N [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.6 CC(CCC(=O)O)O 1P0038KW [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [1,1,0,0,0,0|1,0,1]=4 1258 B7R0.6 CC(CCS(=O)C)N 1P019S9Q [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.6 CC(CNC(=O)C)O 1P00719V [1,1,0,0,0,0|1,0,0]=3 1260 B7R0.6 CC(CNC(=O)N)C 1P003RJM [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [1,1,0,0,0,0|1,0,1]=4 1262 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [1,1,0,0,0,0|1,0,0]=3 1264 B7R0.6 CC(\C=C\[N+](=O)[O-])C 1P002UV0 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [1,1,0,0,0,0|1,0,1]=4 1266 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [1,1,0,0,0,0|1,0,1]=4 1267 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [1,1,0,0,0,0|1,0,0]=3 1268 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [1,1,0,0,0,0|1,0,1]=4 1269 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.6 ClC(CCC(=O)C)Cl 1P0292ZI [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.6 FC(CCC(=O)C)F 1P01C0W2 [1,1,0,0,0,0|1,0,1]=4 1273 B7R0.6 FC(COC(=O)C)F 1P001O00 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.6 FC(\C=C\C(=O)O)F 1P01DN4R [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.8 CCCNS(=O)(=N)C 1P028JL8 [1,1,0,0,0,0|2,0,0]=4 1276 B7R0.8 CCCNS(=O)(=O)C 1P005IE8 [1,1,0,0,0,0|2,0,0]=4 1277 B7R0.8 CCCOP(=O)(O)C 1P00DB43 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.8 CCCOS(=O)(=O)C 1P002FKB [1,1,0,0,0,0|2,0,0]=4 1279 B7R0.8 NC\C=C\S(=O)(=O)C 1P01EMOW [1,1,0,0,0,0|2,0,0]=4 1280 B7R0.1 BrCC\C=C\CCBr 1P00EF1S [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.1 CCC=CC=CC=O 1P00E9KG [1,1,0,0,0,0|0,0,1]=3 1282 B7R0.1 CCCC=CCCCl 1P01A3F9 [1,1,0,0,0,0|0,0,1]=3 1283 B7R0.1 CCCC=CCCN 1P028EP1 [1,1,0,0,0,0|0,0,1]=3 1284 B7R0.1 CCCCCCC=O 1P003RBK [1,1,0,0,0,0|0,0,2]=4 1285 B7R0.1 CCCCOCC=O 1P002VRW [1,1,0,0,0,0|0,0,2]=4 1286 B7R0.1 CCCC\C=C\C=O 1P002H9Q [1,1,0,0,0,0|0,0,0]=2 1287 B7R0.1 CCC\C=C/CCC 1P003PG3 [1,1,0,0,0,0|0,0,1]=3 1288 B7R0.1 CCC\C=C\CCC 1P001LFZ [1,1,0,0,0,0|0,0,1]=3 1289 B7R0.1 CC\C=C/CCC=O 1P003PFX [1,1,0,0,0,0|0,0,2]=4 1290 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [1,1,0,0,0,0|0,0,1]=3 1291 B7R0.1 COCCC=CCN 1P0287X9 [1,1,0,0,0,0|1,0,1]=4 1292 B7R0.1 COCCCCC=O 1P004U88 [1,1,0,0,0,0|0,0,2]=4 1293 B7R0.1 CSCCCCC=O 1P028FY9 [1,1,0,0,0,0|0,0,2]=4 1294 B7R0.1 ClCCCCCC=O 1P006UWS [1,1,0,0,0,0|0,0,2]=4 1295 B7R0.1 O=CCCCOCC 1P0281KP [1,1,0,0,0,0|0,0,2]=4 1296 B7R0.1 OCCCCCC=O 1P00CLL5 [1,1,0,0,0,0|0,0,2]=4 1297 B7R0.1 OCCC\C=C/CC 1P003PFW [1,1,0,0,0,0|0,0,1]=3 1298 B7R0.1 OC\C=C\C=C\CO 1P01FIG3 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.7 CCCC(=N)OCC 1P00JTEH [1,1,0,0,0,0|1,0,1]=4 1300 B7R0.7 CCCC(=O)CCC 1P000KD4 [1,1,0,0,0,0|0,0,2]=4 1301 B7R0.7 CCCC(=O)OCC 1P00351H [1,1,0,0,0,0|1,0,1]=4 1302 B7R0.7 CCCC(CC=O)C 1P002GOG [1,1,0,0,0,0|0,0,2]=4 1303 B7R0.7 CCOC(=O)C=CF 1P01ALA8 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.7 CCOC(=O)CC=O 1P0037SO [1,1,0,0,0,0|1,0,1]=4 1305 B7R0.7 CCOC(=O)\C=C/Br 1P003QVA [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.7 CCOC(=O)\C=C/Cl 1P001VL0 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.7 CCOC(=O)\C=C/I 1P003PFH [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [1,1,0,0,0,0|1,0,0]=3 1309 B7R0.7 CCOC(=O)\C=C\I 1P00C1GJ [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.7 [O-]C=CC(=O)OCC 1P0039OA [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.7 [O-]\C(=C/C#N)\CCC 1P0287PJ [1,1,0,0,0,0|1,0,1]=4 1312 B9R0.4 CCCCC(=O)CC(=O)C 1P001DGE [0,2,0,0,0,0|0,0,1]=3 1313 B9R0.4 CCCCC(=O)OC(=O)C 1P007Z4H [0,2,0,0,0,0|0,0,1]=3 1314 B9R0.4 CCCOC(=O)CC(=O)C 1P00262G [0,2,0,0,0,0|0,0,1]=3 1315 B9R0.4 ClCCOC(=O)CC(=O)C 1P00DLNV [0,2,0,0,0,0|1,0,1]=4 1316 B9R0.4 NC(=O)NC(=O)CCCCl 1P019Y6L [0,2,0,0,0,0|2,0,0]=4 1317 B9R0.4 NCCCC(=O)NC(=O)N 1P01A0F9 [0,2,0,0,0,0|2,0,0]=4 1318 B9R0.4 OCCNC(=O)CC(=O)C 1P006X16 [0,2,0,0,0,0|1,0,1]=4 1319 B9R0.4 OCCOC(=O)CC(=O)C 1P01HEE7 [0,2,0,0,0,0|1,0,1]=4 1320 B9R0.6 CCOC(=O)C(=C(C)C)F 1P00FCQ4 [0,2,0,0,0,0|2,0,0]=4 1321 B9R0.6 CCOC(=O)C(C(=O)C)Br 1P00EL9W [0,2,0,0,0,0|1,0,1]=4 1322 B9R0.6 CCOC(=O)C(C(=O)C)C 1P0035B9 [0,2,0,0,0,0|1,0,1]=4 1323 B9R0.6 CCOC(=O)C(C(=O)C)Cl 1P0035B6 [0,2,0,0,0,0|1,0,1]=4 1324 B9R0.6 CCOC(=O)C(C(=O)C)F 1P003QKS [0,2,0,0,0,0|1,0,1]=4 1325 B9R0.6 CCOC(=O)C(C(=O)C)N 1P0028IB [0,2,0,0,0,0|1,0,1]=4 1326 B9R0.23 CCC(C(=O)CC(=O)C)C 1P01I160 [0,2,0,0,0,0|0,0,1]=3 1327 B9R0.34 CCCC(=O)CC(=O)OC 1P0030IK [0,2,0,0,0,0|0,0,1]=3 1328 B9R0.34 CCCC(=O)OC(=O)CC 1P01EJ68 [0,2,0,0,0,0|1,0,0]=3 1329 B9R0.34 CCCC(CC(=O)OC)N 1P01A4H2 [0,2,0,0,0,0|0,0,2]=4 1330 B9R0.34 CCCC(CC(=O)OC)O 1P003S95 [0,2,0,0,0,0|0,0,2]=4 1331 B9R0.34 CCCC(NC(=O)CCl)C 1P019IA6 [0,2,0,0,0,0|1,0,1]=4 1332 B9R0.34 CCC[C@@H](CC(=O)OC)N 1P01FJUB [0,2,0,0,0,0|0,0,2]=4 1333 B9R0.34 CCC[C@H](CC(=O)NC)N 1P02804S [0,2,0,0,0,0|0,0,2]=4 1334 B9R0.34 CCC[C@H](CC(=O)OC)N 1P01FJU4 [0,2,0,0,0,0|0,0,2]=4 1335 B9R0.34 CCC[C@H](CC(=O)OC)O 1P0083AN [0,2,0,0,0,0|0,0,2]=4 1336 B9R0.34 CCNC(=O)NC(=O)CCl 1P00DIYT [0,2,0,0,0,0|2,0,0]=4 1337 B9R0.34 CCOC(=O)C=C(CC)N 1P00CMFM [0,2,0,0,0,0|2,0,0]=4 1338 B9R0.34 CCOC(=O)CC(=O)CBr 1P00105J [0,2,0,0,0,0|1,0,1]=4 1339 B9R0.34 CCOC(=O)CC(=O)CC 1P0035DG [0,2,0,0,0,0|1,0,1]=4 1340 B9R0.34 CCOC(=O)CC(=O)CCl 1P0035BW [0,2,0,0,0,0|1,0,1]=4 1341 B9R0.34 CCOC(=O)CC(=O)CS 1P019U3E [0,2,0,0,0,0|1,0,1]=4 1342 B9R0.34 CCOC(=O)CC(=O)NC 1P003AGY [0,2,0,0,0,0|1,0,1]=4 1343 B9R0.34 CCOC(=O)CC(=O)OC 1P01HVF3 [0,2,0,0,0,0|1,0,1]=4 1344 B9R0.34 CCOC(=O)NC(=O)CCl 1P00EEFB [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.34 CCOC(=O)\C=C(\CBr)/C 1P00C1L1 [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.34 CCOC(=O)\C=C(\CN)/C 1P028XQC [0,2,0,0,0,0|2,0,0]=4 1347 B9R0.34 CCOC(=O)\C=C(\CN)/Cl 1P01EMI7 [0,2,0,0,0,0|2,0,0]=4 1348 B9R0.34 CCOC(=O)\C=C(\CO)/C 1P01GXZA [0,2,0,0,0,0|1,0,1]=4 1349 B9R0.34 CCOC(=O)\C=C(\NC)/C 1P003QMT [0,2,0,0,0,0|2,0,0]=4 1350 B9R0.34 CNC(=O)NC(=O)CCCl 1P019LLP [0,2,0,0,0,0|2,0,0]=4 1351 B9R0.34 COCC(=CC(=O)OC)C 1P0288U6 [0,2,0,0,0,0|1,0,0]=3 1352 B9R0.34 COCC(=O)CC(=O)OC 1P00I8I0 [0,2,0,0,0,0|1,0,1]=4 1353 B9R0.34 COCC(=O)NC(=O)CCl 1P019ON4 [0,2,0,0,0,0|2,0,0]=4 1354 B9R0.34 C\C(=C/C(=O)OCC)\C=O 1P0035BN [0,2,0,0,0,0|1,0,0]=3 1355 B9R0.53 CC(=O)CC(=O)OC(C)C 1P00IA53 [0,2,0,0,0,0|1,0,1]=4 1356 B9R0.53 CC(CC(CC(=O)C)C)C 1P003832 [0,2,0,0,0,0|0,0,2]=4 1357 B9R0.53 CC(C\C(C)=N\C(C)C)=O 1P01KIX0 [0,2,0,0,0,0|1,0,1]=4 1358 B9R0.53 CC(OC(=O)C=C(N)C)C 1P001I46 [0,2,0,0,0,0|2,0,0]=4 1359 B9R0.58 CCCS(=O)(=O)CC(=O)C 1P00IH1S [0,2,0,0,0,0|1,0,1]=4 1360 B9R0.1 CCC(=O)CCCC(C)C 1P00E8YX [0,2,0,0,0,0|0,0,2]=4 1361 B9R0.1 CCC(=O)OCCC(C)C 1P003RIZ [0,2,0,0,0,0|1,0,1]=4 1362 B9R0.1 CN(CC)CC=CC(=O)O 1P027XTK [0,2,0,0,0,0|1,0,0]=3 1363 B9R0.1 COC(=O)CCCC(Br)C 1P021RUB [0,2,0,0,0,0|0,0,2]=4 1364 B9R0.1 COC(=O)CNCC(C)C 1P019ZYQ [0,2,0,0,0,0|1,0,1]=4 1365 B9R0.1 COC(=O)\C=C\CC(C)C 1P003SEO [0,2,0,0,0,0|0,0,0]=2 1366 B9R0.1 COC(=O)\C=C\CN(C)C 1P00C334 [0,2,0,0,0,0|1,0,0]=3 1367 B9R0.1 COC(CCOC(=O)C)C 1P00I8VE [0,2,0,0,0,0|1,0,1]=4 1368 B9R0.1 O=CC(CCC=C(C)C)C 1P0038FY [0,2,0,0,0,0|1,0,1]=4 1369 B9R0.5 BrCC\C=C\C(=O)OCC 1P01XFO1 [0,2,0,0,0,0|1,0,0]=3 1370 B9R0.5 CCCCCC(=O)OCC 1P000KDJ [0,2,0,0,0,0|0,0,2]=4 1371 B9R0.5 CCCCNC(=O)CC#N 1P00C0OU [0,2,0,0,0,0|1,0,1]=4 1372 B9R0.5 CCCCNC(=O)CCC 1P0008GT [0,2,0,0,0,0|1,0,1]=4 1373 B9R0.5 CCCCNC(=O)CNC 1P000EDK [0,2,0,0,0,0|1,0,1]=4 1374 B9R0.5 CCCCOC(=O)CC#N 1P00IA7S [0,2,0,0,0,0|1,0,1]=4 1375 B9R0.5 CCCCOC(=O)CCS 1P001T9W [0,2,0,0,0,0|1,0,1]=4 1376 B9R0.5 CCCCOC(=O)COC 1P002548 [0,2,0,0,0,0|1,0,1]=4 1377 B9R0.5 CCCCOC(=O)CON 1P01B5IP [0,2,0,0,0,0|1,0,1]=4 1378 B9R0.5 CCCCOC(=O)OCCl 1P00EM35 [0,2,0,0,0,0|1,0,1]=4 1379 B9R0.5 CCCNCC(=O)OCC 1P00CUGW [0,2,0,0,0,0|1,0,1]=4 1380 B9R0.5 CCC\C=C\C(=O)OCC 1P002VBW [0,2,0,0,0,0|0,0,0]=2 1381 B9R0.5 CCOC(=O)\C=C\C=C\C 1P0035DI [0,2,0,0,0,0|0,0,2]=4 1382 B9R0.5 CCOC=CC(=O)OCC 1P0001DZ [0,2,0,0,0,0|1,0,0]=3 1383 B9R0.5 CCO\C=C\C(=O)OCC 1P00EITW [0,2,0,0,0,0|1,0,0]=3 1384 B9R0.5 CC\C=C\CC(=O)OCC 1P003QOE [0,2,0,0,0,0|0,0,2]=4 1385 B9R0.5 CNC\C=C\C(=O)OCC 1P028DSM [0,2,0,0,0,0|1,0,0]=3 1386 B9R0.5 OCC\C=C\C(=O)OCC 1P000UT3 [0,2,0,0,0,0|1,0,0]=3 1387 B9R0.8 CCC=CC(C(=O)OC)O 1P01C2MC [0,2,0,0,0,0|0,0,2]=4 1388 B9R0.8 CCCCC(=O)C(=O)OC 1P00EZRF [0,2,0,0,0,0|0,0,1]=3 1389 B9R0.8 CCCCC(C(=O)NC)N 1P02926G [0,2,0,0,0,0|0,0,2]=4 1390 B9R0.8 CCCCC(C(=O)OC)Br 1P003S3T [0,2,0,0,0,0|0,0,2]=4 1391 B9R0.8 CCCCC(C(=O)OC)N 1P00G2YS [0,2,0,0,0,0|0,0,2]=4 1392 B9R0.8 CCCCC(C(=O)OC)S 1P01BGU4 [0,2,0,0,0,0|0,0,2]=4 1393 B9R0.8 CCCCN(C(=O)CCl)C 1P00J527 [0,2,0,0,0,0|1,0,1]=4 1394 B9R0.8 CCCCN(C(=O)CS)C 1P01ACL7 [0,2,0,0,0,0|1,0,1]=4 1395 B9R0.8 CCCC[C@@H](C(=O)OC)N 1P0038ET [0,2,0,0,0,0|0,0,2]=4 1396 B9R0.8 CCCC[C@H](C(=O)OC)N 1P00EE4E [0,2,0,0,0,0|0,0,2]=4 1397 B9R0.8 CCCNC(C(=O)OC)C 1P01C837 [0,2,0,0,0,0|1,0,1]=4 1398 B9R0.8 CCCNC(C(=O)OC)C 1P01FKV4 [0,2,0,0,0,0|1,0,1]=4 1399 B9R0.8 COC(=O)C(=O)CCCCl 1P01BABN [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.8 COCCC(=C)C(=O)OC 1P0290DG [0,2,0,0,0,0|1,0,1]=4 1401 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,2,0,0,0,0|0,0,2]=4 1402 B9R0.24 CCC(NCC(=O)OC)C 1P01A2BK [0,2,0,0,0,0|1,0,1]=4 1403 B9R0.24 CCC(SCC(=O)OC)C 1P01FE4K [0,2,0,0,0,0|1,0,1]=4 1404 B9R0.24 COC(=O)\C=C/C(=O)OC 1P003Q2T [0,2,0,0,0,0|1,0,1]=4 1405 B9R0.24 COC(=O)\C=C\C(=O)OC 1P003Q2Q [0,2,0,0,0,0|1,0,1]=4 1406 B9R0.46 BrCCCCCC(=O)OC 1P0035OX [0,2,0,0,0,0|0,0,2]=4 1407 B9R0.46 BrCCCOCC(=O)OC 1P01DF0P [0,2,0,0,0,0|1,0,1]=4 1408 B9R0.46 BrC\C=C\C=C\C(=O)OC 1P006V7C [0,2,0,0,0,0|0,0,2]=4 1409 B9R0.46 CCCCCCC(=O)CBr 1P007N76 [0,2,0,0,0,0|0,0,2]=4 1410 B9R0.46 CCCCCCC(=O)CC 1P003TQS [0,2,0,0,0,0|0,0,2]=4 1411 B9R0.46 CCCCCCC(=O)OC 1P003SH2 [0,2,0,0,0,0|0,0,2]=4 1412 B9R0.46 CCCCCNC(=O)CCl 1P00CJRK [0,2,0,0,0,0|0,0,2]=4 1413 B9R0.46 CCCSC=CC(=O)OC 1P01C4A0 [0,2,0,0,0,0|0,0,0]=2 1414 B9R0.46 CCNCCCC(=O)OC 1P00I3RR [0,2,0,0,0,0|0,0,2]=4 1415 B9R0.46 CCOCCNC(=O)CBr 1P019ZCM [0,2,0,0,0,0|1,0,1]=4 1416 B9R0.46 CCOCCNC(=O)CCl 1P01EVDD [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.46 CCOCCOC(=O)CCl 1P00ETR1 [0,2,0,0,0,0|1,0,1]=4 1418 B9R0.46 CNCCCCC(=O)NC 1P027Z35 [0,2,0,0,0,0|0,0,2]=4 1419 B9R0.46 CNCCCCC(=O)OC 1P01BUQ7 [0,2,0,0,0,0|0,0,2]=4 1420 B9R0.46 CNCCOCC(=O)NC 1P01AL7N [0,2,0,0,0,0|1,0,1]=4 1421 B9R0.46 COC(=O)OCCCCO 1P0293HH [0,2,0,0,0,0|1,0,1]=4 1422 B9R0.46 COCCCNC(=O)CCl 1P00AQ8I [0,2,0,0,0,0|1,0,1]=4 1423 B9R0.46 COCCNCC(=O)OC 1P01AIJ9 [0,2,0,0,0,0|1,0,1]=4 1424 B9R0.46 COCCOCC(=O)OC 1P01SHN6 [0,2,0,0,0,0|1,0,1]=4 1425 B9R0.46 COCCSCC(=O)OC 1P01FBVI [0,2,0,0,0,0|1,0,1]=4 1426 B9R0.46 CSCCC=CC(=O)OC 1P028PHL [0,2,0,0,0,0|0,0,0]=2 1427 B9R0.46 CSCCCNC(=O)NC 1P028X2Y [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.46 CSCCCNC(=O)OC 1P028VXI [0,2,0,0,0,0|1,0,1]=4 1429 B9R0.46 ClCCCCCC(=O)CCl 1P01HYHL [0,2,0,0,0,0|0,0,2]=4 1430 B9R0.46 ClCCCSCC(=O)OC 1P00IBI3 [0,2,0,0,0,0|1,0,1]=4 1431 B9R0.46 NCCCCCC(=O)OC 1P002GL6 [0,2,0,0,0,0|0,0,2]=4 1432 B9R0.46 NCCCCNC(=O)CBr 1P01BXXS [0,2,0,0,0,0|1,0,1]=4 1433 B9R0.46 NCCCCNC(=O)CCl 1P01A2ZS [0,2,0,0,0,0|1,0,1]=4 1434 B9R0.46 OCCCCCC(=O)OC 1P00I8Z9 [0,2,0,0,0,0|0,0,2]=4 1435 B9R0.46 OCCCOCC(=O)OC 1P01JM3Y [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.46 SCCCCCC(=O)OC 1P002JLK [0,2,0,0,0,0|0,0,2]=4 1437 B9R0.47 CC(=C)C(=O)NCCCN 1P00370T [0,2,0,0,0,0|2,0,0]=4 1438 B9R0.47 CC(=C)C(=O)OCCCO 1P002UOR [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.47 CCCC=CC(C(=O)O)O 1P01BW24 [0,2,0,0,0,0|1,0,0]=3 1440 B9R0.47 CCCCCC(=O)C(=O)O 1P000VJ8 [0,2,0,0,0,0|1,0,1]=4 1441 B9R0.47 CCCCCC(=O)N(C)C 1P003T1W [0,2,0,0,0,0|0,0,2]=4 1442 B9R0.47 CCCCNC(=O)C(=C)C 1P00BGYT [0,2,0,0,0,0|1,0,1]=4 1443 B9R0.47 CCCCNC(=O)C(Cl)C 1P019L63 [0,2,0,0,0,0|1,0,1]=4 1444 B9R0.47 CCCCOC(=O)C(=O)N 1P003TZ8 [0,2,0,0,0,0|1,0,1]=4 1445 B9R0.47 CCCCOC(=O)C(Br)C 1P003H9K [0,2,0,0,0,0|1,0,1]=4 1446 B9R0.47 CCCCOC(=O)C(Cl)C 1P00DSO2 [0,2,0,0,0,0|1,0,1]=4 1447 B9R0.47 CCCCOC(=O)C(O)C 1P0018A3 [0,2,0,0,0,0|1,0,1]=4 1448 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P002XAH [0,2,0,0,0,0|1,0,1]=4 1449 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P00GAGB [0,2,0,0,0,0|1,0,1]=4 1450 B9R0.47 CCCNCC(=O)N(C)C 1P019WT2 [0,2,0,0,0,0|1,0,1]=4 1451 B9R0.47 CCO\C=C\C(=O)C(F)F 1P00BOJ5 [0,2,0,0,0,0|1,0,0]=3 1452 B9R0.47 CCSCCC(=O)C(=O)[O-] 1P027WKX [0,2,0,0,0,0|1,0,1]=4 1453 B9R0.47 COCCNC(=O)C(=O)O 1P019XTH [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.47 COCCOC(=O)C(=C)C 1P006826 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.47 CSCCOC(=O)C(=C)C 1P003FK9 [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.47 [O-]C(=O)C(=O)OCCCC 1P0014UE [0,2,0,0,0,0|1,0,1]=4 1457 B9R0.2 BrCCCCCCC(=O)C 1P01IQK0 [0,2,0,0,0,0|0,0,2]=4 1458 B9R0.2 BrCCCCCOC(=O)C 1P001QP0 [0,2,0,0,0,0|0,0,2]=4 1459 B9R0.2 C=CCCCCCC(=O)C 1P00E10B [0,2,0,0,0,0|0,0,2]=4 1460 B9R0.2 CC(=O)NCCOCCBr 1P01ALI2 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.2 CC(=O)OCCOCCCl 1P006YP5 [0,2,0,0,0,0|1,0,1]=4 1462 B9R0.2 CC(=O)OCCOCCO 1P002KN7 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.2 CC=CC=CCOC(=O)C 1P001NWK [0,2,0,0,0,0|0,0,2]=4 1464 B9R0.2 CCCC=CC=CC(=O)C 1P028NTR [0,2,0,0,0,0|0,0,0]=2 1465 B9R0.2 CCCCCCOC(=O)C 1P001HZT [0,2,0,0,0,0|0,0,2]=4 1466 B9R0.2 CCCCC\C=C\C(=O)C 1P00348G [0,2,0,0,0,0|0,0,0]=2 1467 B9R0.2 CCCCC\C=C\C(=O)O 1P003VDD [0,2,0,0,0,0|1,0,0]=3 1468 B9R0.2 CCC\C=C/CCC(=O)O 1P007SQR [0,2,0,0,0,0|1,0,0]=3 1469 B9R0.2 CCC\C=C\C=C\C(=O)O 1P006ZC7 [0,2,0,0,0,0|1,0,0]=3 1470 B9R0.2 CCC\C=C\COC(=O)C 1P002QI7 [0,2,0,0,0,0|0,0,0]=2 1471 B9R0.2 CC\C=C/CCOC(=O)C 1P003RQD [0,2,0,0,0,0|0,0,2]=4 1472 B9R0.2 COCCCCOC(=O)C 1P001N77 [0,2,0,0,0,0|0,0,2]=4 1473 B9R0.2 CS(=O)C=CCCN=C=S 1P00E9ZF [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.2 C\C=C\C=C\CCC(=O)C 1P028VYS [0,2,0,0,0,0|0,0,2]=4 1475 B9R0.2 ClCCCCCNC(=O)C 1P01BJF9 [0,2,0,0,0,0|0,0,2]=4 1476 B9R0.2 ClCCCCCOC(=O)C 1P0029ON [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.2 NCCCCCCC(=O)C 1P01C3V1 [0,2,0,0,0,0|0,0,2]=4 1478 B9R0.2 NCCCCCNC(=O)C 1P003SM2 [0,2,0,0,0,0|0,0,2]=4 1479 B9R0.2 NCCCCCNC(=O)C 1P009SKF [0,2,0,0,0,0|0,0,2]=4 1480 B9R0.2 NCCCCNCC(=O)C 1P028TKH [0,2,0,0,0,0|0,0,2]=4 1481 B9R0.2 NCCCC\C=C\C(=O)O 1P028PA8 [0,2,0,0,0,0|1,0,0]=3 1482 B9R0.2 NCCSCCC=C(C)C 1P028KK9 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.48 CCCC(=O)CCC(=O)C 1P00399S [0,2,0,0,0,0|0,0,1]=3 1484 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.48 CCCC(=O)NCC(=O)N 1P01DWZP [0,2,0,0,0,0|1,0,1]=4 1486 B9R0.48 CCCC(=O)NCC(=O)O 1P0028IS [0,2,0,0,0,0|1,0,1]=4 1487 B9R0.48 CCOC(=O)CCC(=O)C 1P0035D3 [0,2,0,0,0,0|1,0,1]=4 1488 B9R0.48 CCOC(=O)CNC(=O)C 1P002F4K [0,2,0,0,0,0|1,0,1]=4 1489 B9R0.48 CCOC(=O)COC(=O)C 1P00EUCK [0,2,0,0,0,0|1,0,1]=4 1490 B9R0.48 CCOC(=O)\C=C/C(=O)O 1P003SM8 [0,2,0,0,0,0|1,0,1]=4 1491 B9R0.48 CCOC(=O)\C=C\C(=C)C 1P0080S0 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.48 CCOC(=O)\C=C\C(=O)C 1P00054H [0,2,0,0,0,0|0,0,1]=3 1493 B9R0.48 CCOC(=O)\C=C\C(=O)Cl 1P003QVR [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.48 CCOC(=O)\C=C\C(=O)O 1P002P5C [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 1P003R5R [0,2,0,0,0,0|1,0,1]=4 1496 B9R0.48 CCOC(COC(=O)C)C 1P00F1KY [0,2,0,0,0,0|1,0,1]=4 1497 B9R0.55 CC(=O)CCCCC(=O)C 1P001TQG [0,2,0,0,0,0|0,0,2]=4 1498 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [0,2,0,0,0,0|1,0,0]=3 1499 B9R0.55 CN(CCCCC(=O)C)C 1P01A66E [0,2,0,0,0,0|0,0,2]=4 1500 B9R0.55 CN(CCCNC(=O)C)C 1P00I6IQ [0,2,0,0,0,0|1,0,1]=4 1501 B9R0.55 OC(=O)CCC=CC(=O)O 1P00DKDG [0,2,0,0,0,0|1,0,1]=4 1502 B9R0.55 OC(=O)CC\C=C\C(=O)O 1P01A26I [0,2,0,0,0,0|1,0,1]=4 1503 B9R0.7 CC(=C\C=C(\C(=O)C)/C)C 1P027WWB [0,2,0,0,0,0|0,0,2]=4 1504 B9R0.7 CC(CCC(=O)C(=O)O)C 1P01C5LE [0,2,0,0,0,0|1,0,1]=4 1505 B9R0.7 CC(CNC(=O)C(=C)C)O 1P007QZU [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.7 CC(CNC(=O)C(=O)O)C 1P005DBN [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.7 CC(COC(=O)C(=C)C)O 1P002V9Z [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.7 CC(COC(=O)C(=C)C)O 1P003A88 [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.13 CCCCC(C(=O)C)CC 1P00EUB2 [0,2,0,0,0,0|0,0,2]=4 1510 B9R0.13 CCC\C=C(\C(=O)O)/C#N 1P00LU3X [0,2,0,0,0,0|1,0,0]=3 1511 B9R0.13 CCOC=C(C(=O)O)C#N 1P00645X [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.42 CC(CC)CC(=O)C(=O)O 1P028CV2 [0,2,0,0,0,0|1,0,1]=4 1513 B9R0.42 CC(NC(=O)C(=O)O)CC 1P0059E7 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.42 COC(=O)C=C(C(=O)C)C 1P01A1RI [0,2,0,0,0,0|1,0,1]=4 1515 B9R0.42 NCC(C=C(C(=O)O)C)C 1P0290AJ [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.43 CCC(=CC)C=CC(=O)O 1P0292SX [0,2,0,0,0,0|1,0,1]=4 1517 B9R0.43 CCC(COC(=O)C)CC 1P00021M [0,2,0,0,0,0|1,0,1]=4 1518 B9R0.43 CCC(COC(=O)C)OC 1P000EKN [0,2,0,0,0,0|1,0,1]=4 1519 B9R0.64 CCS(=O)(=O)C=CC(=O)O 1P01B4GT [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.64 CSC(\C=C\C(=O)O)(C)C 1P028ZSW [0,2,0,0,0,0|2,0,0]=4 1521 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [1,0,0,1,0,0|2,0,0]=4 1522 B7R1.2 CC1C=CC(=O)O1 1P0034RE [1,0,0,1,0,0|1,0,0]=3 1523 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [1,0,0,1,0,0|1,0,0]=3 1524 B7R1.2 CC1CC(=NC1)N 1P0286PE [1,0,0,1,0,0|2,0,0]=4 1525 B7R1.2 CC1CC(=O)CN1 1P021X75 [1,0,0,1,0,0|1,0,1]=4 1526 B7R1.2 CC1CC(=O)CS1 1P019UCN [1,0,0,1,0,0|1,0,1]=4 1527 B7R1.2 CC1CC(=O)NC1 1P0039AR [1,0,0,1,0,0|1,0,0]=3 1528 B7R1.2 CC1CC(=O)OC1 1P00ARBT [1,0,0,1,0,0|1,0,0]=3 1529 B7R1.2 CC1CCC(=O)C1 1P0021LM [1,0,0,1,0,0|0,0,1]=3 1530 B7R1.2 CC1CCC(=O)N1 1P0034RL [1,0,0,1,0,0|1,0,1]=4 1531 B7R1.2 CC1CCC(=O)O1 1P0035FE [1,0,0,1,0,0|1,0,1]=4 1532 B7R1.2 CC1CNC(=O)O1 1P007BAB [1,0,0,1,0,0|2,0,0]=4 1533 B7R1.2 CC1COC(=O)N1 1P001SNQ [1,0,0,1,0,0|2,0,0]=4 1534 B7R1.2 CC1COC(=O)O1 1P0035ZW [1,0,0,1,0,0|2,0,0]=4 1535 B7R1.2 CC1NNC(=O)C1 1P008YFX [1,0,0,1,0,0|2,0,0]=4 1536 B7R1.2 CN1CCC(=O)C1 1P00G7GN [1,0,0,1,0,0|1,0,1]=4 1537 B7R1.2 CN1CCC(=O)C1 1P00IC9G [1,0,0,1,0,0|1,0,1]=4 1538 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [1,0,0,1,0,0|1,0,1]=4 1539 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [1,0,0,1,0,0|1,0,1]=4 1540 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [1,0,0,1,0,0|1,0,0]=3 1541 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [1,0,0,1,0,0|0,0,1]=3 1542 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [1,0,0,1,0,0|1,0,1]=4 1543 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [1,0,0,1,0,0|1,0,1]=4 1544 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [1,0,0,1,0,0|2,0,0]=4 1545 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [1,0,0,1,0,0|2,0,0]=4 1546 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [1,0,0,1,0,0|2,0,0]=4 1547 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [1,0,0,1,0,0|1,0,1]=4 1548 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [1,0,0,1,0,0|1,0,0]=3 1549 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [1,0,0,1,0,0|1,0,0]=3 1550 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [1,0,0,1,0,0|0,0,1]=3 1551 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [1,0,0,1,0,0|1,0,1]=4 1552 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [1,0,0,1,0,0|1,0,1]=4 1553 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [1,0,0,1,0,0|2,0,0]=4 1554 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [1,0,0,1,0,0|2,0,0]=4 1555 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [1,0,0,1,0,0|1,0,1]=4 1556 B7R1.2 Cc1ccc(o1)C 1P00IBHV [1,0,0,1,0,0|0,0,2]=4 1557 B7R1.2 Cc1ccc(s1)C 1P0037FV [1,0,0,1,0,0|0,1,1]=4 1558 B7R1.2 Cc1ccn(c1)C 1P01BKQP [1,0,0,1,0,0|2,0,0]=4 1559 B7R1.2 Cc1ccn(n1)C 1P00332M [1,0,0,1,0,0|2,0,0]=4 1560 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [1,0,0,1,0,0|2,0,0]=4 1561 B7R1.2 NC1CC(=O)NC1 1P003AG1 [1,0,0,1,0,0|2,0,0]=4 1562 B7R1.2 NC1CC(=O)NC1 1P00H05Z [1,0,0,1,0,0|2,0,0]=4 1563 B7R1.2 NC1CC(=O)OC1 1P00A9OT [1,0,0,1,0,0|2,0,0]=4 1564 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [1,0,0,1,0,0|2,0,0]=4 1565 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [1,0,0,1,0,0|2,0,0]=4 1566 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [1,0,0,1,0,0|2,0,0]=4 1567 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [1,0,0,1,0,0|2,0,0]=4 1568 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [1,0,0,1,0,0|1,0,1]=4 1569 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [1,0,0,1,0,0|1,0,0]=3 1570 B7R1.2 OC1C=CC(=O)O1 1P001CQE [1,0,0,1,0,0|2,0,0]=4 1571 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [1,0,0,1,0,0|2,0,0]=4 1572 B7R1.2 OC1CC(=O)OC1 1P003BUD [1,0,0,1,0,0|2,0,0]=4 1573 B7R1.2 OC1CCC(=O)C1 1P0038LJ [1,0,0,1,0,0|1,0,1]=4 1574 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [1,0,0,1,0,0|2,0,0]=4 1575 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [1,0,0,1,0,0|2,0,0]=4 1576 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [1,0,0,1,0,0|1,0,0]=3 1577 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [1,0,0,1,0,0|2,0,0]=4 1578 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [1,0,0,1,0,0|2,0,0]=4 1579 B7R1.3 BrC1=CCCCC1 1P0029YC [1,0,0,1,0,0|1,0,0]=3 1580 B7R1.3 BrC1=CCCNC1 1P01B8PC [1,0,0,1,0,0|2,0,0]=4 1581 B7R1.3 BrC1=CCNCC1 1P01FIK1 [1,0,0,1,0,0|2,0,0]=4 1582 B7R1.3 BrC1=CCOCC1 1P003LEM [1,0,0,1,0,0|2,0,0]=4 1583 B7R1.3 BrC1=CCSCC1 1P000OBW [1,0,0,1,0,0|2,0,0]=4 1584 B7R1.3 BrC1=COCCC1 1P002T0L [1,0,0,1,0,0|2,0,0]=4 1585 B7R1.3 BrC1CCCC=C1 1P003A3D [1,0,0,1,0,0|1,0,1]=4 1586 B7R1.3 C1CC=NC(=O)N1 1P023TVL [1,0,0,1,0,0|2,0,0]=4 1587 B7R1.3 C=C1CCCCC1 1P000PMZ [1,0,0,1,0,0|1,0,1]=4 1588 B7R1.3 C=C1CCCCN1 1P01C54B [1,0,0,1,0,0|2,0,0]=4 1589 B7R1.3 CC1=CCCNC1 1P00HYHF [1,0,0,1,0,0|2,0,0]=4 1590 B7R1.3 CC1=CCNCC1 1P00377S [1,0,0,1,0,0|2,0,0]=4 1591 B7R1.3 CC1=CCNCC1 1P003UIS [1,0,0,1,0,0|2,0,0]=4 1592 B7R1.3 CC1CCCC=C1 1P003K57 [1,0,0,1,0,0|1,0,1]=4 1593 B7R1.3 ClC1=CCCNC1 1P01C5F1 [1,0,0,1,0,0|2,0,0]=4 1594 B7R1.3 ClC1CCCC=C1 1P003JRB [1,0,0,1,0,0|1,0,1]=4 1595 B7R1.3 FC1=CCCNC1 1P01A4R5 [1,0,0,1,0,0|2,0,0]=4 1596 B7R1.3 IC1=CCCCC1 1P0020JK [1,0,0,1,0,0|1,0,0]=3 1597 B7R1.3 IC1=CCOCC1 1P01DYXR [1,0,0,1,0,0|2,0,0]=4 1598 B7R1.3 NC1=NCCCC1 1P001S57 [1,0,0,1,0,0|2,0,0]=4 1599 B7R1.3 NC1CCCC=C1 1P018SO4 [1,0,0,1,0,0|1,0,1]=4 1600 B7R1.3 N[C@@H]1CCCC=C1 1P028YJZ [1,0,0,1,0,0|1,0,1]=4 1601 B7R1.3 N[C@H]1CCCC=C1 1P028TS8 [1,0,0,1,0,0|1,0,1]=4 1602 B7R1.3 O=C1CCC=CN1 1P01BJJF [1,0,0,1,0,0|1,0,1]=4 1603 B7R1.3 O=C1CCCC=C1 1P0033QS [1,0,0,1,0,0|0,0,0]=2 1604 B7R1.3 O=C1CCCCN1 1P0033W9 [1,0,0,1,0,0|1,0,0]=3 1605 B7R1.3 O=C1CCCCO1 1P00IA55 [1,0,0,1,0,0|1,0,0]=3 1606 B7R1.3 O=C1CCCCS1 1P0001ZA [1,0,0,1,0,0|1,0,0]=3 1607 B7R1.3 O=C1CCCNC1 1P0037UG [1,0,0,1,0,0|1,0,1]=4 1608 B7R1.3 O=C1CCCNC1 1P024HTU [1,0,0,1,0,0|1,0,1]=4 1609 B7R1.3 O=C1CCCOC1 1P002NSO [1,0,0,1,0,0|1,0,1]=4 1610 B7R1.3 O=C1CCCSC1 1P002FDM [1,0,0,1,0,0|1,0,1]=4 1611 B7R1.3 O=C1CCNC=C1 1P002PGW [1,0,0,1,0,0|1,0,0]=3 1612 B7R1.3 O=C1CCNCC1 1P0034LQ [1,0,0,1,0,0|1,0,1]=4 1613 B7R1.3 O=C1CCNCC1 1P0036K5 [1,0,0,1,0,0|1,0,1]=4 1614 B7R1.3 O=C1CCNCC1 1P00BYCB [1,0,0,1,0,0|1,0,1]=4 1615 B7R1.3 O=C1CCOC=C1 1P004TYE [1,0,0,1,0,0|1,0,0]=3 1616 B7R1.3 O=C1CCOCC1 1P0034LC [1,0,0,1,0,0|1,0,1]=4 1617 B7R1.3 O=C1CCSCC1 1P003V5X [1,0,0,1,0,0|1,0,1]=4 1618 B7R1.3 O=C1CNCC=C1 1P028FY8 [1,0,0,1,0,0|1,0,0]=3 1619 B7R1.3 O=C1CNCCN1 1P003ICU [1,0,0,1,0,0|2,0,0]=4 1620 B7R1.3 O=C1CNCCO1 1P00DJZ1 [1,0,0,1,0,0|2,0,0]=4 1621 B7R1.3 O=C1COCC=C1 1P00IKIB [1,0,0,1,0,0|1,0,0]=3 1622 B7R1.3 O=C1COCCN1 1P003K2V [1,0,0,1,0,0|2,0,0]=4 1623 B7R1.3 O=C1COCCO1 1P0030I9 [1,0,0,1,0,0|2,0,0]=4 1624 B7R1.3 O=C1CSCCN1 1P0028EL [1,0,0,1,0,0|2,0,0]=4 1625 B7R1.3 O=C1NCCC=C1 1P00EDGZ [1,0,0,1,0,0|1,0,0]=3 1626 B7R1.3 O=C1NCCCN1 1P003V5G [1,0,0,1,0,0|2,0,0]=4 1627 B7R1.3 O=C1NCCCO1 1P003E20 [1,0,0,1,0,0|2,0,0]=4 1628 B7R1.3 O=C1NCCCS1 1P001LQ4 [1,0,0,1,0,0|2,0,0]=4 1629 B7R1.3 O=C1OCCC=C1 1P003MQL [1,0,0,1,0,0|1,0,0]=3 1630 B7R1.3 O=C1OCCCO1 1P002OWF [1,0,0,1,0,0|2,0,0]=4 1631 B7R1.3 OC1CCCC=C1 1P003HL7 [1,0,0,1,0,0|0,0,2]=4 1632 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [1,0,0,1,0,0|0,0,2]=4 1633 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [1,0,0,1,0,0|0,0,2]=4 1634 B7R1.3 S=C1CCCCC1 1P01G8O5 [1,0,0,1,0,0|0,1,1]=4 1635 B7R1.3 S=C1CCCCN1 1P000VAZ [1,0,0,1,0,0|1,1,0]=4 1636 B7R1.5 OCCC1=CC1=O 1P01FI4P [1,0,0,1,0,0|1,0,1]=4 1637 B7R1.10 BrCC1CC(=O)C1 1P00DQGD [1,0,0,1,0,0|1,0,1]=4 1638 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [1,0,0,1,0,0|2,0,0]=4 1639 B7R1.10 CCC1CC(=O)C1 1P00EUCH [1,0,0,1,0,0|0,0,1]=3 1640 B7R1.10 COC1CC(=O)C1 1P0031WV [1,0,0,1,0,0|1,0,1]=4 1641 B7R1.10 CSC1CC(=O)C1 1P01C0J1 [1,0,0,1,0,0|1,0,1]=4 1642 B7R1.10 ClCC1CC(=O)C1 1P0020KN [1,0,0,1,0,0|1,0,1]=4 1643 B7R1.10 FCC1CC(=O)C1 1P018JAY [1,0,0,1,0,0|1,0,1]=4 1644 B7R1.10 ICC1CC(=O)N1 1P008PV6 [1,0,0,1,0,0|2,0,0]=4 1645 B7R1.10 NCC1CC(=O)C1 1P001H61 [1,0,0,1,0,0|1,0,1]=4 1646 B7R1.10 OCC1CC(=O)C1 1P00288D [1,0,0,1,0,0|1,0,1]=4 1647 B7R1.10 OCC1CC(=O)N1 1P00FCZO [1,0,0,1,0,0|2,0,0]=4 1648 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [1,0,0,1,0,0|2,0,0]=4 1649 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [1,0,0,1,0,0|2,0,0]=4 1650 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [1,0,0,1,0,0|1,0,1]=4 1651 B7R1.12 CC1CC1C(=O)C 1P01ALPC [1,0,0,1,0,0|0,0,1]=3 1652 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [1,0,0,1,0,0|1,0,1]=4 1653 B7R1.12 CC1CC1C(=O)N 1P00GA8W [1,0,0,1,0,0|1,0,1]=4 1654 B7R1.12 CC1CC1C(=O)O 1P002Z71 [1,0,0,1,0,0|1,0,1]=4 1655 B7R1.12 CC1CC1C(=O)O 1P00EK9C [1,0,0,1,0,0|1,0,1]=4 1656 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [1,0,0,1,0,0|0,0,1]=3 1657 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [1,0,0,1,0,0|1,0,1]=4 1658 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [1,0,0,1,0,0|0,0,1]=3 1659 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [1,0,0,1,0,0|1,0,1]=4 1660 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [1,0,0,1,0,0|0,0,1]=3 1661 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [1,0,0,1,0,0|1,0,1]=4 1662 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [1,0,0,1,0,0|0,0,1]=3 1663 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [1,0,0,1,0,0|1,0,1]=4 1664 B7R1.14 CC1(C)CCC=C1 1P00EVES [1,0,0,1,0,0|1,0,1]=4 1665 B7R1.14 FP1(=O)CCC=C1 1P01RO3B [1,0,0,1,0,0|2,0,0]=4 1666 B7R1.14 O=S1(=O)CCC=C1 1P000ISO [1,0,0,1,0,0|2,0,0]=4 1667 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,1,0,0|0,0,1]=3 1668 B7R1.18 CC(=O)C1CNC1 1P00A20O [1,0,0,1,0,0|1,0,1]=4 1669 B7R1.18 CC(=O)C1COC1 1P01DY8T [1,0,0,1,0,0|1,0,1]=4 1670 B7R1.18 CC(=O)C1CSC1 1P01E9GS [1,0,0,1,0,0|1,0,1]=4 1671 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [1,0,0,1,0,0|1,0,0]=3 1672 B7R1.18 ClC(=O)C1CCC1 1P00353Y [1,0,0,1,0,0|1,0,1]=4 1673 B7R1.18 ClC(=O)N1CCC1 1P01DX42 [1,0,0,1,0,0|2,0,0]=4 1674 B7R1.18 NC(=O)C1CCC1 1P001MYW [1,0,0,1,0,0|1,0,1]=4 1675 B7R1.18 NC(=O)N1CCC1 1P01LJEJ [1,0,0,1,0,0|2,0,0]=4 1676 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,1,0,0|1,0,0]=3 1677 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,1,0,0|1,0,1]=4 1678 B7R1.20 CC(=C)CC1CC1 1P01BSO5 [1,0,0,1,0,0|1,0,1]=4 1679 B7R1.20 CC(=O)CC1CC1 1P0037WP [1,0,0,1,0,0|0,0,1]=3 1680 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [1,0,0,1,0,0|1,0,1]=4 1681 B7R1.20 ClC(=O)NC1CC1 1P01DX1E [1,0,0,1,0,0|2,0,0]=4 1682 B7R1.20 ClC(=O)OC1CC1 1P00E2V3 [1,0,0,1,0,0|2,0,0]=4 1683 B7R1.20 NC(=O)CC1CC1 1P0086XZ [1,0,0,1,0,0|1,0,1]=4 1684 B7R1.20 NC(=O)NC1CC1 1P002BDF [1,0,0,1,0,0|2,0,0]=4 1685 B7R1.20 OC(=O)C=C1CC1 1P00F046 [1,0,0,1,0,0|1,0,0]=3 1686 B7R1.20 OC(=O)CC1CC1 1P00395B [1,0,0,1,0,0|1,0,1]=4 1687 B7R1.1 BrCC1=CCCC1 1P00FM0P [1,0,0,1,0,0|1,0,1]=4 1688 B7R1.1 BrCC1CC=CC1 1P00GACI [1,0,0,1,0,0|1,0,1]=4 1689 B7R1.1 BrCC1CCC=C1 1P00AXJ6 [1,0,0,1,0,0|1,0,1]=4 1690 B7R1.1 C1CON=C1C=O 1P028L7B [1,0,0,1,0,0|2,0,0]=4 1691 B7R1.1 C1SCC=C1C=O 1P000A32 [1,0,0,1,0,0|1,0,0]=3 1692 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,1,0,0|0,0,1]=3 1693 B7R1.1 CCC1CC=NN1 1P02929M [1,0,0,1,0,0|2,0,0]=4 1694 B7R1.1 CCC1NCC=C1 1P008W14 [1,0,0,1,0,0|1,0,1]=4 1695 B7R1.1 CCC1NCC=C1 1P00J2F3 [1,0,0,1,0,0|1,0,1]=4 1696 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,1,0,0|0,0,2]=4 1697 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,1,0,0|0,0,2]=4 1698 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,1,0,0|1,0,1]=4 1699 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,1,0,0|0,0,2]=4 1700 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,1,0,0|0,1,1]=4 1701 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,1,0,0|1,0,1]=4 1702 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,1,0,0|2,0,0]=4 1703 B7R1.1 CNC1=NCCC1 1P01ADJW [1,0,0,1,0,0|2,0,0]=4 1704 B7R1.1 CNC1CC=CC1 1P028UHB [1,0,0,1,0,0|1,0,1]=4 1705 B7R1.1 COC1=CCCC1 1P0094KJ [1,0,0,1,0,0|1,0,0]=3 1706 B7R1.1 COC1=NCCC1 1P00DCJM [1,0,0,1,0,0|2,0,0]=4 1707 B7R1.1 ICC1CC=CC1 1P0050LS [1,0,0,1,0,0|1,0,1]=4 1708 B7R1.1 N#CC1=CCCC1 1P0030PO [1,0,0,1,0,0|1,0,1]=4 1709 B7R1.1 NCC1=CCCC1 1P01ACZ1 [1,0,0,1,0,0|1,0,1]=4 1710 B7R1.1 NCC1CC=CC1 1P00DKNG [1,0,0,1,0,0|1,0,1]=4 1711 B7R1.1 NCC1CC=CC1 1P028AUO [1,0,0,1,0,0|1,0,1]=4 1712 B7R1.1 O=CC1=CCCC1 1P00EGML [1,0,0,1,0,0|0,0,0]=2 1713 B7R1.1 O=CC1=CCCO1 1P01DC7A [1,0,0,1,0,0|1,0,0]=3 1714 B7R1.1 O=CC1CCCC1 1P00354L [1,0,0,1,0,0|0,0,2]=4 1715 B7R1.1 O=CC1CCCC1 1P0035E6 [1,0,0,1,0,0|0,0,2]=4 1716 B7R1.1 O=CC1CCCO1 1P0036B1 [1,0,0,1,0,0|1,0,1]=4 1717 B7R1.1 O=CN1CCCC1 1P00BXTF [1,0,0,1,0,0|1,0,1]=4 1718 B7R1.1 OCC1=CCCC1 1P00842I [1,0,0,1,0,0|0,0,2]=4 1719 B7R1.1 OCC1CC=CC1 1P002R0D [1,0,0,1,0,0|1,0,1]=4 1720 B7R1.1 OCC1CCC=C1 1P0012O5 [1,0,0,1,0,0|1,0,1]=4 1721 B7R1.1 SCC1=CCCC1 1P0283Z5 [1,0,0,1,0,0|0,1,1]=4 1722 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [1,0,0,1,0,0|1,0,1]=4 1723 B7R1.4 Cc1occc1C 1P001LXH [1,0,0,1,0,0|1,0,1]=4 1724 B7R1.4 Cn1[nH]ccc1=O 1P00CJF7 [1,0,0,1,0,0|2,0,0]=4 1725 B7R1.4 Cn1nccc1C 1P005MKD [1,0,0,1,0,0|2,0,0]=4 1726 B7R1.4 Cn1sccc1=O 1P002SGM [1,0,0,1,0,0|2,0,0]=4 1727 B7R1.4 Cn1sccc1=O 1P01FT0U [1,0,0,1,0,0|2,0,0]=4 1728 B7R1.4 O=C1C=CCN1C 1P001BMC [1,0,0,1,0,0|1,0,0]=3 1729 B7R1.4 O=C1CCCC1C 1P008SEF [1,0,0,1,0,0|0,0,2]=4 1730 B7R1.4 O=C1COCC1C 1P01B6KD [1,0,0,1,0,0|1,0,1]=4 1731 B7R1.4 O=C1CSCC1C 1P006YBW [1,0,0,1,0,0|1,0,1]=4 1732 B7R1.4 O=C1NCCC1C 1P00BDOY [1,0,0,1,0,0|1,0,1]=4 1733 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [1,0,0,1,0,0|1,0,1]=4 1734 B7R1.4 O=C1OCCC1C 1P0039WP [1,0,0,1,0,0|1,0,1]=4 1735 B7R1.6 BrCC=C1CCC1 1P002QD6 [1,0,0,1,0,0|1,0,1]=4 1736 B7R1.6 CCC=C1CNC1 1P028GXL [1,0,0,1,0,0|1,0,1]=4 1737 B7R1.6 COC=C1COC1 1P009D91 [1,0,0,1,0,0|2,0,0]=4 1738 B7R1.6 N#CC=C1CCC1 1P00BI89 [1,0,0,1,0,0|1,0,1]=4 1739 B7R1.6 O=CCC1CCC1 1P006S59 [1,0,0,1,0,0|0,0,2]=4 1740 B7R1.6 OCC=C1CCC1 1P01A5JW [1,0,0,1,0,0|0,0,2]=4 1741 B7R1.8 CCC1CCC1=O 1P008TOV [1,0,0,1,0,0|0,0,2]=4 1742 B7R1.9 CCC1CC1C=O 1P02924W [1,0,0,1,0,0|0,0,2]=4 1743 B7R1.24 C1CCC=CCC1 1P003PL0 [1,0,0,1,0,0|0,0,1]=3 1744 B7R1.24 N1CCC=CCC1 1P009D3B [1,0,0,1,0,0|1,0,1]=4 1745 B9R1.7 BrCCc1csc(c1)C 1P027WGA [0,1,0,1,0,0|1,1,0]=4 1746 B9R1.7 C(CC)C1=CC(OC1)=O 1P01JJQ8 [0,1,0,1,0,0|0,0,0]=2 1747 B9R1.7 CCCC1=NNC(=O)C1 1P002Y62 [0,1,0,1,0,0|1,0,0]=3 1748 B9R1.7 CCCC1CCC(=O)C1 1P00348R [0,1,0,1,0,0|0,0,2]=4 1749 B9R1.7 CCCC1CCC(=O)O1 1P00HB0Y [0,1,0,1,0,0|1,0,1]=4 1750 B9R1.7 CCCC1CNC(=O)C1 1P00JDD1 [0,1,0,1,0,0|0,0,2]=4 1751 B9R1.7 CCCC1COC(=O)O1 1P008882 [0,1,0,1,0,0|1,0,1]=4 1752 B9R1.7 CCCN1C=C[NH+](C1)C 1P000PMK [0,1,0,1,0,0|2,0,0]=4 1753 B9R1.7 CCCN1C=C[NH+](C1)C 1P004OZX [0,1,0,1,0,0|2,0,0]=4 1754 B9R1.7 CCCN1C=C[NH+](C1)C 1P0055D7 [0,1,0,1,0,0|2,0,0]=4 1755 B9R1.7 CCC[C@H]1COC(=O)C1 1P00ELOJ [0,1,0,1,0,0|0,0,2]=4 1756 B9R1.7 CCC[n+]1ccn(c1)C 1P00BCJ1 [0,1,0,1,0,0|2,0,0]=4 1757 B9R1.7 CCCc1[nH]nc(n1)C 1P019RAY [0,1,0,1,0,0|2,0,0]=4 1758 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [0,1,0,1,0,0|1,1,0]=4 1759 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [0,1,0,1,0,0|1,0,0]=3 1760 B9R1.7 CCCc1cc(n[nH]1)N 1P000TN0 [0,1,0,1,0,0|2,0,0]=4 1761 B9R1.7 CCCc1cc(n[nH]1)N 1P01AHJ9 [0,1,0,1,0,0|2,0,0]=4 1762 B9R1.7 CCCc1cc(no1)N 1P00IAF8 [0,1,0,1,0,0|1,0,1]=4 1763 B9R1.7 CCCc1cc(on1)N 1P00FEB9 [0,1,0,1,0,0|1,0,1]=4 1764 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,1,0,0|1,1,0]=4 1765 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [0,1,0,1,0,0|2,0,0]=4 1766 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,1,0,0|1,0,0]=3 1767 B9R1.7 CCCc1csc(n1)N 1P00EGKN [0,1,0,1,0,0|2,0,0]=4 1768 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [0,1,0,1,0,0|2,0,0]=4 1769 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [0,1,0,1,0,0|2,0,0]=4 1770 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [0,1,0,1,0,0|2,0,0]=4 1771 B9R1.7 CCCc1nc(cs1)N 1P01DVH7 [0,1,0,1,0,0|2,0,0]=4 1772 B9R1.7 CCCc1ncc(s1)N 1P01FJWT [0,1,0,1,0,0|1,1,0]=4 1773 B9R1.7 CCCn1cc[n+](c1)C 1P00IMZL [0,1,0,1,0,0|2,0,0]=4 1774 B9R1.7 CCCn1ccc(n1)Br 1P01DZ5E [0,1,0,1,0,0|2,0,0]=4 1775 B9R1.7 CCCn1ccc(n1)I 1P00733M [0,1,0,1,0,0|2,0,0]=4 1776 B9R1.7 CCCn1ccc(n1)N 1P00JCPI [0,1,0,1,0,0|2,0,0]=4 1777 B9R1.7 CCNc1n[nH]c(c1)C 1P009QFC [0,1,0,1,0,0|2,0,0]=4 1778 B9R1.7 CCNc1noc(c1)C 1P02104A [0,1,0,1,0,0|1,0,1]=4 1779 B9R1.7 CCNc1scc(n1)C 1P01AKMO [0,1,0,1,0,0|2,0,0]=4 1780 B9R1.7 CCOC1=CC(=O)CC1 1P003JU5 [0,1,0,1,0,0|1,0,0]=3 1781 B9R1.7 CCOc1[nH]nc(c1)C 1P00J2CV [0,1,0,1,0,0|2,0,0]=4 1782 B9R1.7 CCOc1n[nH]c(c1)C 1P00CLRX [0,1,0,1,0,0|2,0,0]=4 1783 B9R1.7 CNCc1[nH]cc(n1)C 1P00J3TH [0,1,0,1,0,0|2,0,0]=4 1784 B9R1.7 CNCc1ccc([nH]1)C 1P027TXD [0,1,0,1,0,0|1,0,1]=4 1785 B9R1.7 CNCc1ccc(o1)C 1P001EP7 [0,1,0,1,0,0|0,0,2]=4 1786 B9R1.7 CNCc1ccc(s1)C 1P00GW4I [0,1,0,1,0,0|0,1,1]=4 1787 B9R1.7 CNCc1cnc(s1)C 1P00F69E [0,1,0,1,0,0|1,1,0]=4 1788 B9R1.7 CNCc1coc(n1)C 1P01FKVU [0,1,0,1,0,0|2,0,0]=4 1789 B9R1.7 CNCc1coc(n1)C 1P01FKVV [0,1,0,1,0,0|2,0,0]=4 1790 B9R1.7 CNCc1csc(n1)C 1P001JI1 [0,1,0,1,0,0|2,0,0]=4 1791 B9R1.7 CNCc1csc(n1)C 1P009534 [0,1,0,1,0,0|2,0,0]=4 1792 B9R1.7 CNCc1n[nH]c(c1)C 1P00J1EX [0,1,0,1,0,0|2,0,0]=4 1793 B9R1.7 CNCc1ncc(o1)C 1P027XJA [0,1,0,1,0,0|1,0,1]=4 1794 B9R1.7 CNCc1noc(c1)C 1P0047PL [0,1,0,1,0,0|1,0,1]=4 1795 B9R1.7 CNCc1onc(c1)C 1P00C8MI [0,1,0,1,0,0|1,0,1]=4 1796 B9R1.7 CNCc1onc(c1)C 1P00J3SK [0,1,0,1,0,0|1,0,1]=4 1797 B9R1.7 CNCc1scc(c1)C 1P008A2T [0,1,0,1,0,0|1,1,0]=4 1798 B9R1.7 CNCc1scc(n1)C 1P00EM18 [0,1,0,1,0,0|2,0,0]=4 1799 B9R1.7 CNCc1scc(n1)C 1P00J3SN [0,1,0,1,0,0|2,0,0]=4 1800 B9R1.7 COCC1=NNC(=O)C1 1P00BU2R [0,1,0,1,0,0|2,0,0]=4 1801 B9R1.7 COCc1n[nH]c(c1)C 1P00JGX7 [0,1,0,1,0,0|2,0,0]=4 1802 B9R1.7 Cc1cc(no1)CCBr 1P028O2Q [0,1,0,1,0,0|1,0,1]=4 1803 B9R1.7 Cc1cc(no1)CCCl 1P01FM8J [0,1,0,1,0,0|1,0,1]=4 1804 B9R1.7 Cc1cc(no1)CCN 1P01DXNK [0,1,0,1,0,0|1,0,1]=4 1805 B9R1.7 Cc1cc(no1)CCN 1P01EIG0 [0,1,0,1,0,0|1,0,1]=4 1806 B9R1.7 Cc1cc(no1)CCO 1P02908I [0,1,0,1,0,0|1,0,1]=4 1807 B9R1.7 Cc1cc(on1)CCBr 1P028TDA [0,1,0,1,0,0|1,0,1]=4 1808 B9R1.7 Cc1cc(on1)CCCl 1P018SCV [0,1,0,1,0,0|1,0,1]=4 1809 B9R1.7 Cc1cc(on1)CCN 1P01BBDJ [0,1,0,1,0,0|1,0,1]=4 1810 B9R1.7 Cc1cc(sc1)CCN 1P028915 [0,1,0,1,0,0|1,1,0]=4 1811 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,1,0,1,0,0|0,0,2]=4 1812 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [0,1,0,1,0,0|0,0,2]=4 1813 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [0,1,0,1,0,0|0,1,1]=4 1814 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,1,0,1,0,0|0,1,1]=4 1815 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,1,0,1,0,0|0,1,1]=4 1816 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [0,1,0,1,0,0|0,1,1]=4 1817 B9R1.7 Cc1ccn(n1)CCBr 1P0066AA [0,1,0,1,0,0|2,0,0]=4 1818 B9R1.7 Cc1ccn(n1)CCCl 1P006R85 [0,1,0,1,0,0|2,0,0]=4 1819 B9R1.7 Cc1ccn(n1)CCN 1P00EBCC [0,1,0,1,0,0|2,0,0]=4 1820 B9R1.7 Cc1ccn(n1)CCO 1P00BZKP [0,1,0,1,0,0|2,0,0]=4 1821 B9R1.7 Cc1ccn(n1)CCO 1P01FIC5 [0,1,0,1,0,0|2,0,0]=4 1822 B9R1.7 Cc1cnc(s1)CCN 1P00JDK5 [0,1,0,1,0,0|1,1,0]=4 1823 B9R1.7 Cc1csc(n1)CCN 1P00EERS [0,1,0,1,0,0|2,0,0]=4 1824 B9R1.7 Cc1nc(c[nH]1)CCO 1P0282J5 [0,1,0,1,0,0|2,0,0]=4 1825 B9R1.7 Cc1nc(co1)CCN 1P028JV2 [0,1,0,1,0,0|2,0,0]=4 1826 B9R1.7 Cc1nc(cs1)CCCl 1P008VZ8 [0,1,0,1,0,0|2,0,0]=4 1827 B9R1.7 Cc1nc(cs1)CCCl 1P00J2C8 [0,1,0,1,0,0|2,0,0]=4 1828 B9R1.7 Cc1nc(cs1)CCO 1P007QY7 [0,1,0,1,0,0|2,0,0]=4 1829 B9R1.7 Cc1ncc(s1)CCN 1P01A1Y4 [0,1,0,1,0,0|1,1,0]=4 1830 B9R1.7 Cc1ncc(s1)CCO 1P018KUW [0,1,0,1,0,0|1,1,0]=4 1831 B9R1.7 NCCC1CNC(=O)C1 1P01B5FR [0,1,0,1,0,0|1,0,1]=4 1832 B9R1.7 NCCc1[nH][nH]c(=O)c1 1P01A1UC [0,1,0,1,0,0|2,0,0]=4 1833 B9R1.7 NCCc1[nH]nc(c1)C 1P028L9M [0,1,0,1,0,0|2,0,0]=4 1834 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [0,1,0,1,0,0|1,0,1]=4 1835 B9R1.7 NCCc1csc(=O)[nH]1 1P01BDB6 [0,1,0,1,0,0|2,0,0]=4 1836 B9R1.7 NCCc1csc(n1)C 1P01A3PD [0,1,0,1,0,0|2,0,0]=4 1837 B9R1.7 NCCc1csc(n1)C 1P028D1O [0,1,0,1,0,0|2,0,0]=4 1838 B9R1.7 NCCc1nc([nH]c1)C 1P007AK9 [0,1,0,1,0,0|2,0,0]=4 1839 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,1,0,0|1,0,1]=4 1840 B9R1.7 NCCc1ncc(s1)C 1P01AI7W [0,1,0,1,0,0|1,1,0]=4 1841 B9R1.7 NCCc1snc(c1)C 1P0291UB [0,1,0,1,0,0|1,1,0]=4 1842 B9R1.7 NCCn1ccc(n1)C 1P01DTPF [0,1,0,1,0,0|2,0,0]=4 1843 B9R1.7 OCCC1CNC(=O)C1 1P00KBMW [0,1,0,1,0,0|1,0,1]=4 1844 B9R1.7 OCCc1csc(c1)C 1P01BBDV [0,1,0,1,0,0|1,1,0]=4 1845 B9R1.7 OCCn1ccc(=O)[nH]1 1P028HFB [0,1,0,1,0,0|2,0,0]=4 1846 B9R1.13 CC(=O)CC1CCC=C1 1P008SAV [0,1,0,1,0,0|0,0,2]=4 1847 B9R1.13 CC(=O)CC1CCCC1 1P008SLB [0,1,0,1,0,0|0,0,2]=4 1848 B9R1.13 CC(=O)CC1CCCO1 1P007EYH [0,1,0,1,0,0|0,0,2]=4 1849 B9R1.13 CC(=O)CC1COCC1 1P019Z4V [0,1,0,1,0,0|0,0,2]=4 1850 B9R1.13 CC(=O)NC1=NCCS1 1P01C2WZ [0,1,0,1,0,0|2,0,0]=4 1851 B9R1.13 CC(=O)NC1CCCC1 1P007O81 [0,1,0,1,0,0|0,0,2]=4 1852 B9R1.13 CC(=O)NC1CNCC1 1P003SVY [0,1,0,1,0,0|1,0,1]=4 1853 B9R1.13 CC(=O)N[C@@H]1CNCC1 1P000FCJ [0,1,0,1,0,0|1,0,1]=4 1854 B9R1.13 CC(=O)N[C@@H]1CNCC1 1P0074XR [0,1,0,1,0,0|1,0,1]=4 1855 B9R1.13 CC(=O)N[C@H]1CNCC1 1P0010CO [0,1,0,1,0,0|1,0,1]=4 1856 B9R1.13 CC(=O)N[C@H]1CNCC1 1P01FZDA [0,1,0,1,0,0|1,0,1]=4 1857 B9R1.13 CC(=O)OC1CCCO1 1P001VUK [0,1,0,1,0,0|1,0,1]=4 1858 B9R1.13 CC(=O)O[C@@H]1CNCC1 1P028V0L [0,1,0,1,0,0|1,0,1]=4 1859 B9R1.13 CC(=O)O[C@H]1CNCC1 1P028UIC [0,1,0,1,0,0|1,0,1]=4 1860 B9R1.13 CC(=O)SC1COCC1 1P00KE4L [0,1,0,1,0,0|1,0,1]=4 1861 B9R1.13 NC(=O)C=C1CCCC1 1P019YXN [0,1,0,1,0,0|1,0,0]=3 1862 B9R1.13 OC(=O)C=C1CCCC1 1P002EXR [0,1,0,1,0,0|1,0,0]=3 1863 B9R1.13 OC(=O)CC1=CCCC1 1P007Q6E [0,1,0,1,0,0|1,0,0]=3 1864 B9R1.13 [O-][N+](=O)\C=C/1\CCCN1 1P01EMGM [0,1,0,1,0,0|2,0,0]=4 1865 B9R1.22 CCC1NC(=O)NC1=O 1P003N6V [0,1,0,1,0,0|2,0,0]=4 1866 B9R1.22 CCn1nc(cc1Br)C 1P01BTQP [0,1,0,1,0,0|2,0,0]=4 1867 B9R1.22 CCn1nc(cc1C)C 1P00250V [0,1,0,1,0,0|2,0,0]=4 1868 B9R1.22 CCn1nc(cc1Cl)C 1P01BFRP [0,1,0,1,0,0|2,0,0]=4 1869 B9R1.22 CCn1nc(cc1N)C 1P00C0TR [0,1,0,1,0,0|2,0,0]=4 1870 B9R1.22 NCC1CC(=O)NC1=O 1P0021YC [0,1,0,1,0,0|2,0,0]=4 1871 B9R1.34 CC1CC(=CC(=O)C1)C 1P007U39 [0,1,0,1,0,0|0,0,0]=2 1872 B9R1.34 CC1CC(=CC(=O)C1)N 1P00DNEM [0,1,0,1,0,0|0,0,0]=2 1873 B9R1.34 CC1CC(=CC(=O)O1)O 1P007HMC [0,1,0,1,0,0|1,0,0]=3 1874 B9R1.34 CC1CC(=O)C=C(O1)C 1P01DW7M [0,1,0,1,0,0|0,0,1]=3 1875 B9R1.34 CC1CC(=O)CC(=O)C1 1P0037PP [0,1,0,1,0,0|0,0,1]=3 1876 B9R1.34 CC1CC(=O)CC(=O)N1 1P000J2F [0,1,0,1,0,0|1,0,1]=4 1877 B9R1.34 CC1CC(=O)NC(=O)C1 1P002QVI [0,1,0,1,0,0|1,0,0]=3 1878 B9R1.34 CC1CC(=O)NC(=O)N1 1P003MQP [0,1,0,1,0,0|2,0,0]=4 1879 B9R1.34 CC1CC(=O)OC(=O)C1 1P003K81 [0,1,0,1,0,0|1,0,0]=3 1880 B9R1.34 CC1CC(C)CC(=O)C1 1P002MYT [0,1,0,1,0,0|0,0,2]=4 1881 B9R1.34 CN1CC(=O)NC(=O)C1 1P00EFYF [0,1,0,1,0,0|2,0,0]=4 1882 B9R1.34 CN1CC(=O)OC(=O)C1 1P0039IY [0,1,0,1,0,0|2,0,0]=4 1883 B9R1.34 C[C@@H]1C[C@H](C)NC(=O)C1 1P02902S [0,1,0,1,0,0|1,0,1]=4 1884 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 1P006SU4 [0,1,0,1,0,0|1,0,1]=4 1885 B9R1.34 NC1CC(=O)NC(=O)C1 1P00ILFQ [0,1,0,1,0,0|2,0,0]=4 1886 B9R1.34 O=C1CC(C)C=C(C1)C 1P01FM1C [0,1,0,1,0,0|0,0,2]=4 1887 B9R1.41 CC(=O)C1CCCC1=O 1P003GS4 [0,1,0,1,0,0|0,0,1]=3 1888 B9R1.41 CC(=O)C1CCOC1=O 1P0033JB [0,1,0,1,0,0|1,0,1]=4 1889 B9R1.41 CC(=O)C1CCOC1C 1P028OOD [0,1,0,1,0,0|0,0,2]=4 1890 B9R1.41 CC(=O)N1CCCC1=O 1P003ED1 [0,1,0,1,0,0|1,0,0]=3 1891 B9R1.41 CC(=O)N1CCNC1=O 1P00334W [0,1,0,1,0,0|2,0,0]=4 1892 B9R1.41 CC(=O)N1CCNC1=S 1P0037SH [0,1,0,1,0,0|2,0,0]=4 1893 B9R1.41 CC(=O)N1CCOC1=O 1P007KSU [0,1,0,1,0,0|2,0,0]=4 1894 B9R1.41 CC(=O)N1CCSC1=S 1P003JA8 [0,1,0,1,0,0|2,0,0]=4 1895 B9R1.41 CC(=O)c1c[nH]cc1C 1P002H7O [0,1,0,1,0,0|0,0,2]=4 1896 B9R1.41 CC(=O)c1c[nH]nc1C 1P00941L [0,1,0,1,0,0|1,0,1]=4 1897 B9R1.41 CC(=O)c1cccn1C 1P003GRG [0,1,0,1,0,0|0,0,2]=4 1898 B9R1.41 CC(=O)c1ccnn1C 1P0014IM [0,1,0,1,0,0|1,0,1]=4 1899 B9R1.41 CC(=O)c1cn[nH]c1C 1P00J9CA [0,1,0,1,0,0|1,0,1]=4 1900 B9R1.41 CC(=O)c1cncn1C 1P002KUI [0,1,0,1,0,0|1,0,1]=4 1901 B9R1.41 CC(=O)c1cncn1C 1P01BE59 [0,1,0,1,0,0|1,0,1]=4 1902 B9R1.41 CC(=O)c1cnoc1C 1P00EE7E [0,1,0,1,0,0|1,0,1]=4 1903 B9R1.41 CC(=O)c1conc1C 1P00ETLU [0,1,0,1,0,0|1,0,1]=4 1904 B9R1.41 CC(=O)c1cscc1C 1P028JR5 [0,1,0,1,0,0|0,0,2]=4 1905 B9R1.41 CC(=O)c1csnc1C 1P01DWPQ [0,1,0,1,0,0|1,0,1]=4 1906 B9R1.41 CC(=O)c1nccn1C 1P004Q7M [0,1,0,1,0,0|1,0,1]=4 1907 B9R1.41 CC(=O)c1ncnn1C 1P008UEN [0,1,0,1,0,0|2,0,0]=4 1908 B9R1.41 CC(=O)c1ncsc1C 1P01EC4G [0,1,0,1,0,0|1,0,1]=4 1909 B9R1.41 CC(=O)c1occc1C 1P000VSJ [0,1,0,1,0,0|0,0,2]=4 1910 B9R1.41 CC(=O)c1sccc1C 1P0012U9 [0,1,0,1,0,0|0,0,2]=4 1911 B9R1.41 CC(=O)c1scnc1C 1P00C8WG [0,1,0,1,0,0|1,0,1]=4 1912 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,1,0,1,0,0|0,0,0]=2 1913 B9R1.41 CC1=C(CCC1)C(=O)O 1P005QP8 [0,1,0,1,0,0|1,0,0]=3 1914 B9R1.41 CC1=C(CCO1)C(=O)O 1P01DL2D [0,1,0,1,0,0|2,0,0]=4 1915 B9R1.41 CC1CCCN1C(=O)C 1P01EIRL [0,1,0,1,0,0|0,0,2]=4 1916 B9R1.41 CN1CC=CC1C(=O)O 1P00J2DU [0,1,0,1,0,0|2,0,0]=4 1917 B9R1.41 ClC(=O)N1CCCC1=O 1P00D78M [0,1,0,1,0,0|2,0,0]=4 1918 B9R1.41 NC(=O)C1CCCC1=O 1P01E0BW [0,1,0,1,0,0|1,0,1]=4 1919 B9R1.48 CC1CCCCC(=O)N1 1P002C1H [0,1,0,1,0,0|1,0,1]=4 1920 B9R1.48 CC1CCCCC(=O)O1 1P006UKN [0,1,0,1,0,0|1,0,1]=4 1921 B9R1.48 CC1NCCNC(=O)C1 1P00IGPY [0,1,0,1,0,0|1,0,1]=4 1922 B9R1.48 CN1CCCNC(=O)C1 1P006X1N [0,1,0,1,0,0|1,0,1]=4 1923 B9R1.48 C[C@@H]1CCCOC(=O)C1 1P002E70 [0,1,0,1,0,0|0,0,2]=4 1924 B9R1.48 O=C1CCCCC(=O)C1 1P000J5J [0,1,0,1,0,0|0,0,1]=3 1925 B9R1.48 O=C1CCCCC(=O)N1 1P00DG4O [0,1,0,1,0,0|1,0,0]=3 1926 B9R1.48 O=C1CCCCC(=O)O1 1P0029EC [0,1,0,1,0,0|1,0,0]=3 1927 B9R1.48 O=C1CCCCC(=S)N1 1P003QEC [0,1,0,1,0,0|1,0,0]=3 1928 B9R1.48 O=C1CCCNC(=O)C1 1P002Z43 [0,1,0,1,0,0|1,0,1]=4 1929 B9R1.53 CC(CC1CC(=O)C1)C 1P020KT8 [0,1,0,1,0,0|0,0,2]=4 1930 B9R1.53 NC1CC(C1)NC(=O)C 1P00IL9L [0,1,0,1,0,0|1,0,1]=4 1931 B9R1.53 O[C@@H]1C[C@@H](C1)OC(=O)C 1P01RBXF [0,1,0,1,0,0|1,0,1]=4 1932 B9R1.53 O[C@@H]1C[C@H](C1)OC(=O)C 1P01KAFH [0,1,0,1,0,0|1,0,1]=4 1933 B9R1.66 O=C1C=COC(O1)(C)C 1P024DEK [0,1,0,1,0,0|2,0,0]=4 1934 B9R1.66 O=C1CCCC(C1)(C)C 1P0032R4 [0,1,0,1,0,0|0,0,2]=4 1935 B9R1.66 O=C1COCC(C1)(C)C 1P008274 [0,1,0,1,0,0|1,0,1]=4 1936 B9R1.66 O=C1NCCC(C1)(C)C 1P00E59D [0,1,0,1,0,0|1,0,1]=4 1937 B9R1.66 O=C1OCCC(C1)(C)O 1P003LZ1 [0,1,0,1,0,0|1,0,1]=4 1938 B9R1.66 OC1C=CCC(C1)(C)C 1P0283T3 [0,1,0,1,0,0|0,0,2]=4 1939 B9R1.75 CCOC(=O)C=C1CC1 1P005B3P [0,1,0,1,0,0|2,0,0]=4 1940 B9R1.137 CC(=CC(=O)O)C1CC1 1P019WLX [0,1,0,1,0,0|1,0,0]=3 1941 B9R1.137 C\C(=C/C(=O)N)\C1CC1 1P02937I [0,1,0,1,0,0|1,0,0]=3 1942 B9R1.137 O=C(C1CC1)CC(=O)C 1P0039CN [0,1,0,1,0,0|0,0,1]=3 1943 B9R1.171 CC(=O)CC1(O)CCC1 1P01DZO2 [0,1,0,1,0,0|0,0,2]=4 1944 B9R1.177 CC1(CCC)CC(=O)N1 1P0288KF [0,1,0,1,0,0|1,0,1]=4 1945 B9R1.1 CCC1CCC(=O)C=C1 1P01BJI4 [0,1,0,1,0,0|0,0,0]=2 1946 B9R1.1 CCC1CCC(=O)CC1 1P003LSR [0,1,0,1,0,0|0,0,2]=4 1947 B9R1.1 CCC1CNC(=O)CN1 1P01BNYX [0,1,0,1,0,0|1,0,1]=4 1948 B9R1.1 CC[n+]1ccc(cc1)C 1P0036F3 [0,1,0,1,0,0|2,0,0]=4 1949 B9R1.1 CCc1ccc(cc1)C 1P003LT6 [0,1,0,1,0,0|1,0,1]=4 1950 B9R1.1 CCc1ccc(cn1)C 1P00235T [0,1,0,1,0,0|1,0,1]=4 1951 B9R1.1 CCc1ccc(nc1)C 1P003N6Q [0,1,0,1,0,0|1,0,1]=4 1952 B9R1.2 BrCC1CCCC(=O)C1 1P028EEN [0,1,0,1,0,0|0,0,2]=4 1953 B9R1.2 C=CC1CC(=O)C=CN1 1P028UIE [0,1,0,1,0,0|0,0,2]=4 1954 B9R1.2 CCC1CC(=O)C=CC1 1P01HMG3 [0,1,0,1,0,0|0,0,0]=2 1955 B9R1.2 CCC1CC(=O)CCO1 1P00D327 [0,1,0,1,0,0|0,0,2]=4 1956 B9R1.2 CCC1CC=CC(=O)O1 1P020M7D [0,1,0,1,0,0|1,0,0]=3 1957 B9R1.2 CCC1CCCC(=O)C1 1P007OXD [0,1,0,1,0,0|0,0,2]=4 1958 B9R1.2 CCC1CCNC(=O)C1 1P01BHCU [0,1,0,1,0,0|0,0,2]=4 1959 B9R1.2 CCN1CCCC(=O)C1 1P00BZZV [0,1,0,1,0,0|0,0,2]=4 1960 B9R1.2 CCN1CCNC(=O)C1 1P00IBYI [0,1,0,1,0,0|1,0,1]=4 1961 B9R1.2 CC[n+]1cccc(c1)C 1P00337W [0,1,0,1,0,0|1,0,1]=4 1962 B9R1.2 CCc1cc[nH]c(=O)c1 1P01HJV9 [0,1,0,1,0,0|0,0,2]=4 1963 B9R1.2 CCc1cccc(c1)C 1P00345O [0,1,0,1,0,0|1,0,1]=4 1964 B9R1.2 CCc1cccc(n1)C 1P0083JM [0,1,0,1,0,0|1,0,1]=4 1965 B9R1.2 CCc1cncc(n1)C 1P003HO1 [0,1,0,1,0,0|1,0,1]=4 1966 B9R1.2 CCc1cncc(n1)C 1P00CUFF [0,1,0,1,0,0|1,0,1]=4 1967 B9R1.2 CNC1CCCC(=O)C1 1P027VLO [0,1,0,1,0,0|0,0,2]=4 1968 B9R1.2 COC1CCCC(=O)C1 1P0079W8 [0,1,0,1,0,0|0,0,2]=4 1969 B9R1.2 CSC1CCCC(=O)C1 1P01BFPY [0,1,0,1,0,0|0,0,2]=4 1970 B9R1.2 ClCC1CCCC(=O)C1 1P01C5LG [0,1,0,1,0,0|0,0,2]=4 1971 B9R1.2 NCC1CCNC(=O)C1 1P001CGJ [0,1,0,1,0,0|1,0,1]=4 1972 B9R1.2 NCC1CCNC(=O)C1 1P00A305 [0,1,0,1,0,0|1,0,1]=4 1973 B9R1.2 NCC1CCNC(=O)C1 1P02874S [0,1,0,1,0,0|1,0,1]=4 1974 B9R1.2 OCC1CCNC(=O)C1 1P00E3Y5 [0,1,0,1,0,0|1,0,1]=4 1975 B9R1.3 CC1C(C)CCCC1=O 1P0080LX [0,1,0,1,0,0|0,0,2]=4 1976 B9R1.3 CC1CCC=C(C1=O)C 1P00CVJI [0,1,0,1,0,0|0,0,1]=3 1977 B9R1.3 CC1CCNC(=O)C1N 1P019SHU [0,1,0,1,0,0|1,0,1]=4 1978 B9R1.3 CC1CNCC(=O)N1C 1P00G9JK [0,1,0,1,0,0|1,0,1]=4 1979 B9R1.3 CC1CNCC(=O)N1C 1P028J4O [0,1,0,1,0,0|1,0,1]=4 1980 B9R1.3 CC1COC=C(C1=O)C 1P01B5E4 [0,1,0,1,0,0|1,0,0]=3 1981 B9R1.3 C[C@@H]1CNCC(=O)N1C 1P00J3BC [0,1,0,1,0,0|1,0,1]=4 1982 B9R1.3 C[C@H]1CNCC(=O)N1C 1P00J38T [0,1,0,1,0,0|1,0,1]=4 1983 B9R1.3 Cc1c(=O)cc[nH]c1C 1P01BBX5 [0,1,0,1,0,0|1,0,1]=4 1984 B9R1.5 BrC1=C(Br)CCCCC1 1P00H75M [0,1,0,1,0,0|1,0,1]=4 1985 B9R1.5 BrC1CCCCCC1=O 1P003H8G [0,1,0,1,0,0|0,0,2]=4 1986 B9R1.5 CC1CCCCCC1=O 1P01B1UZ [0,1,0,1,0,0|0,0,2]=4 1987 B9R1.5 CN1CCCCCC1=O 1P0037XK [0,1,0,1,0,0|0,0,2]=4 1988 B9R1.5 ClC1CCCCCC1=O 1P003HIR [0,1,0,1,0,0|0,0,2]=4 1989 B9R1.5 FC1CCCCCC1=O 1P01G5Z8 [0,1,0,1,0,0|0,0,2]=4 1990 B9R1.5 NC1CCCCCC1=O 1P01AMF1 [0,1,0,1,0,0|0,0,2]=4 1991 B9R1.5 O=C1CCCCC=C1Br 1P01SIRB [0,1,0,1,0,0|0,0,0]=2 1992 B9R1.5 O=C1CCCCC=C1F 1P00049H [0,1,0,1,0,0|0,0,0]=2 1993 B9R1.5 O=C1CCCCCC1=O 1P007K1J [0,1,0,1,0,0|0,0,1]=3 1994 B9R1.5 O=C1CNCCCC1C 1P0290ML [0,1,0,1,0,0|1,0,1]=4 1995 B9R1.5 O=C1CNCCCN1C 1P00ELO8 [0,1,0,1,0,0|1,0,1]=4 1996 B9R1.5 O=C1CNCCCN1C 1P00FH76 [0,1,0,1,0,0|1,0,1]=4 1997 B9R1.5 O=C1NCCCC=C1Br 1P028F1B [0,1,0,1,0,0|1,0,0]=3 1998 B9R1.5 O=C1NCCCCC1Br 1P00CMNE [0,1,0,1,0,0|1,0,1]=4 1999 B9R1.5 O=C1NCCCCC1C 1P002JFG [0,1,0,1,0,0|1,0,1]=4 2000 B9R1.5 O=C1NCCCCC1I 1P028L1Q [0,1,0,1,0,0|1,0,1]=4 2001 B9R1.5 O=C1NCCCCC1N 1P002YTR [0,1,0,1,0,0|1,0,1]=4 2002 B9R1.5 O=C1NCCCCC1N 1P003QA4 [0,1,0,1,0,0|1,0,1]=4 2003 B9R1.5 O=C1NCCCC[C@@H]1N 1P002S2B [0,1,0,1,0,0|1,0,1]=4 2004 B9R1.5 O=C1NCCCC[C@@H]1N 1P003D2E [0,1,0,1,0,0|1,0,1]=4 2005 B9R1.5 O=C1NCCCC[C@H]1N 1P002S2C [0,1,0,1,0,0|1,0,1]=4 2006 B9R1.5 O=C1NCCCC[C@H]1N 1P002VG3 [0,1,0,1,0,0|1,0,1]=4 2007 B9R1.5 OC1CCCCCC1=O 1P023QLZ [0,1,0,1,0,0|0,0,2]=4 2008 B9R1.5 O[C@@H]1C=CCCC[C@H]1O 1P028VWN [0,1,0,1,0,0|0,0,2]=4 2009 B9R1.11 BrCC(=O)C1CCCC1 1P00DBWM [0,1,0,1,0,0|0,0,2]=4 2010 B9R1.11 BrCC(=O)N1CCCC1 1P00GZ4A [0,1,0,1,0,0|1,0,1]=4 2011 B9R1.11 C=CC(=O)C1=CCCC1 1P01BCFC [0,1,0,1,0,0|0,0,1]=3 2012 B9R1.11 CCC(=O)C1CCCC1 1P00FDHE [0,1,0,1,0,0|0,0,2]=4 2013 B9R1.11 CCC(=O)[C@@H]1CCCN1 1P01C2EY [0,1,0,1,0,0|1,0,1]=4 2014 B9R1.11 CNC(=O)C1CCCC1 1P00DL2T [0,1,0,1,0,0|0,0,2]=4 2015 B9R1.11 CNC(=O)C1CCCN1 1P019VH8 [0,1,0,1,0,0|1,0,1]=4 2016 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00C66X [0,1,0,1,0,0|1,0,1]=4 2017 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00DKAX [0,1,0,1,0,0|1,0,1]=4 2018 B9R1.11 CNC(=O)[C@@H]1CCCO1 1P01A7H9 [0,1,0,1,0,0|1,0,1]=4 2019 B9R1.11 COC(=O)C1=CCCC1 1P003S0X [0,1,0,1,0,0|0,0,0]=2 2020 B9R1.11 COC(=O)C1=CCCO1 1P005HNO [0,1,0,1,0,0|1,0,0]=3 2021 B9R1.11 COC(=O)C1=CCOC1 1P002XE9 [0,1,0,1,0,0|1,0,0]=3 2022 B9R1.11 COC(=O)C1=CCSC1 1P003S2J [0,1,0,1,0,0|1,0,0]=3 2023 B9R1.11 COC(=O)C1=CSCC1 1P028QT6 [0,1,0,1,0,0|1,0,0]=3 2024 B9R1.11 COC(=O)C1=NOCC1 1P006Z2N [0,1,0,1,0,0|2,0,0]=4 2025 B9R1.11 COC(=O)C1CCC=C1 1P006Y0C [0,1,0,1,0,0|0,0,2]=4 2026 B9R1.11 COC(=O)C1CCCC1 1P003973 [0,1,0,1,0,0|0,0,2]=4 2027 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [0,1,0,1,0,0|1,0,1]=4 2028 B9R1.11 COC(=O)C1CCCN1 1P00G418 [0,1,0,1,0,0|1,0,1]=4 2029 B9R1.11 COC(=O)C1CCCO1 1P003SJB [0,1,0,1,0,0|1,0,1]=4 2030 B9R1.11 COC(=O)N1CCCC1 1P00EFZQ [0,1,0,1,0,0|1,0,1]=4 2031 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [0,1,0,1,0,0|1,0,1]=4 2032 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [0,1,0,1,0,0|1,0,1]=4 2033 B9R1.11 ClCC(=O)C1CCCC1 1P00GYTR [0,1,0,1,0,0|0,0,2]=4 2034 B9R1.11 ClCC(=O)C1CCCO1 1P001G9L [0,1,0,1,0,0|1,0,1]=4 2035 B9R1.11 ClCC(=O)N1CCCC1 1P0028TW [0,1,0,1,0,0|1,0,1]=4 2036 B9R1.11 NCC(=C1CCCC1)F 1P028TT8 [0,1,0,1,0,0|1,0,1]=4 2037 B9R1.11 NCC(=O)C1CCCC1 1P01BXYG [0,1,0,1,0,0|0,0,2]=4 2038 B9R1.11 NCC(=O)N1CCCC1 1P006XNO [0,1,0,1,0,0|1,0,1]=4 2039 B9R1.11 NCC(=O)N1CCCC1 1P00C61Z [0,1,0,1,0,0|1,0,1]=4 2040 B9R1.11 NCC(=O)N1CCCO1 1P01C50G [0,1,0,1,0,0|2,0,0]=4 2041 B9R1.11 OCC(=O)N1CCCC1 1P01ABJE [0,1,0,1,0,0|1,0,1]=4 2042 B9R1.21 BrCc1ccn(n1)CC 1P01FIOI [0,1,0,1,0,0|2,0,0]=4 2043 B9R1.21 CCc1ccc([nH]1)C=O 1P00J30R [0,1,0,1,0,0|1,0,1]=4 2044 B9R1.21 CCc1ccc([nH]1)CN 1P02819F [0,1,0,1,0,0|1,0,1]=4 2045 B9R1.21 CCc1ccc(o1)C=O 1P002MKX [0,1,0,1,0,0|1,0,1]=4 2046 B9R1.21 CCc1ccc(o1)CN 1P0286NP [0,1,0,1,0,0|0,0,2]=4 2047 B9R1.21 CCc1ccc(o1)CS 1P01EJ7Q [0,1,0,1,0,0|0,0,2]=4 2048 B9R1.21 CCc1ccc(s1)C=O 1P003N6R [0,1,0,1,0,0|1,0,1]=4 2049 B9R1.21 CCc1ccc(s1)CN 1P019NWP [0,1,0,1,0,0|0,1,1]=4 2050 B9R1.21 CCc1ccc(s1)CO 1P01DW6M [0,1,0,1,0,0|0,1,1]=4 2051 B9R1.21 ClCc1ccn(n1)CC 1P00HEDS [0,1,0,1,0,0|2,0,0]=4 2052 B9R1.21 ClCc1ccn(n1)CC 1P00J35R [0,1,0,1,0,0|2,0,0]=4 2053 B9R1.21 NCc1ccn(c1)CC 1P01BE0F [0,1,0,1,0,0|2,0,0]=4 2054 B9R1.21 NCc1ccn(n1)CC 1P00JENK [0,1,0,1,0,0|2,0,0]=4 2055 B9R1.21 O=Cc1ccn(c1)CC 1P00CYIE [0,1,0,1,0,0|1,0,1]=4 2056 B9R1.21 O=Cc1ccn(n1)CC 1P0060LB [0,1,0,1,0,0|2,0,0]=4 2057 B9R1.21 OCc1ccn(n1)CC 1P00H9S1 [0,1,0,1,0,0|2,0,0]=4 2058 B9R1.21 SCc1ccn(n1)CC 1P02903Z [0,1,0,1,0,0|2,0,0]=4 2059 B9R1.49 CC1CCCC(=O)CC1 1P01ALFG [0,1,0,1,0,0|0,0,2]=4 2060 B9R1.49 CC1CCNC(=O)CC1 1P00C2C9 [0,1,0,1,0,0|1,0,1]=4 2061 B9R1.49 NC1CCCC(=O)NC1 1P000ZGQ [0,1,0,1,0,0|1,0,1]=4 2062 B9R1.49 NC1CCNC(=O)CC1 1P01C49D [0,1,0,1,0,0|1,0,1]=4 2063 B9R1.49 OC1CCCC(=O)NC1 1P000ZGL [0,1,0,1,0,0|1,0,1]=4 2064 B9R1.50 BrC1=CCCCCCC1 1P01BELB [0,1,0,1,0,0|1,0,1]=4 2065 B9R1.50 NC1CCCCCC=C1 1P01BAOA [0,1,0,1,0,0|1,0,1]=4 2066 B9R1.50 O1C(CCCCCC1)=O 1P01FWHU [0,1,0,1,0,0|0,0,2]=4 2067 B9R1.50 O=C1CCCCCCC1 1P00354H [0,1,0,1,0,0|0,0,2]=4 2068 B9R1.50 O=C1CCCCCCN1 1P00IC5V [0,1,0,1,0,0|0,0,2]=4 2069 B9R1.50 O=C1CCCCNCC1 1P0280Z5 [0,1,0,1,0,0|0,0,2]=4 2070 B9R1.50 O=C1CCCOCCC1 1P028F98 [0,1,0,1,0,0|0,0,2]=4 2071 B9R1.50 O=C1CCNCCCN1 1P01DTTZ [0,1,0,1,0,0|1,0,1]=4 2072 B9R1.50 O=C1NCCCCC=C1 1P007WTH [0,1,0,1,0,0|0,0,0]=2 2073 B9R1.50 O=C1NCCCCCN1 1P019F6A [0,1,0,1,0,0|1,0,1]=4 2074 B9R1.79 COC(=O)C=C1CCC1 1P007ZKG [0,1,0,1,0,0|0,0,0]=2 2075 B9R1.79 COC(=O)C=C1CNC1 1P0208N8 [0,1,0,1,0,0|1,0,0]=3 2076 B9R1.79 COC(=O)C=C1COC1 1P008449 [0,1,0,1,0,0|1,0,0]=3 2077 B9R1.79 COC(=O)C=C1CSC1 1P00F5FB [0,1,0,1,0,0|1,0,0]=3 2078 B9R1.79 COC(=O)CC1CCC1 1P00685D [0,1,0,1,0,0|0,0,2]=4 2079 B9R1.79 ClCC(=O)CC1CCC1 1P028MNC [0,1,0,1,0,0|0,0,2]=4 2080 B9R1.79 NCC(=O)CC1CCC1 1P028C45 [0,1,0,1,0,0|0,0,2]=4 2081 B9R1.79 NCC(=O)NC1CCC1 1P00BZ05 [0,1,0,1,0,0|1,0,1]=4 2082 B9R1.79 NCC(=O)NC1CCC1 1P01FJWP [0,1,0,1,0,0|1,0,1]=4 2083 B9R1.79 OCC(=O)OC1CCC1 1P028K01 [0,1,0,1,0,0|1,0,1]=4 2084 B9R1.80 BrCC(=O)NCC1CC1 1P01A2N4 [0,1,0,1,0,0|1,0,1]=4 2085 B9R1.80 COC(=O)C#CC1CC1 1P00G95X [0,1,0,1,0,0|0,0,2]=4 2086 B9R1.80 COC(=O)C=CC1CC1 1P00IB3L [0,1,0,1,0,0|0,0,0]=2 2087 B9R1.80 COC(=O)CNC1CC1 1P018SOM [0,1,0,1,0,0|1,0,1]=4 2088 B9R1.80 ClCC(=O)CCC1CC1 1P028V5K [0,1,0,1,0,0|0,0,2]=4 2089 B9R1.80 ClCC(=O)COC1CC1 1P0289GJ [0,1,0,1,0,0|1,0,1]=4 2090 B9R1.80 ClCC(=O)NCC1CC1 1P00DRFV [0,1,0,1,0,0|1,0,1]=4 2091 B9R1.80 ICC(=O)NCC1CC1 1P01C2F6 [0,1,0,1,0,0|1,0,1]=4 2092 B9R1.80 NCC(=O)NCC1CC1 1P01A5LY [0,1,0,1,0,0|1,0,1]=4 2093 B9R1.80 NCC(=O)OCC1CC1 1P01A9SA [0,1,0,1,0,0|1,0,1]=4 2094 B9R1.89 BrCC1CCCCC=C1 1P028D7Y [0,1,0,1,0,0|1,0,1]=4 2095 B9R1.89 N#CC1=CCCCCC1 1P0029D0 [0,1,0,1,0,0|1,0,1]=4 2096 B9R1.89 NCC1CCCCC=C1 1P028MAE [0,1,0,1,0,0|1,0,1]=4 2097 B9R1.89 OCC1CCCCC=C1 1P01EMS9 [0,1,0,1,0,0|0,0,2]=4 2098 B9R1.118 CC1(CCCC=C1)C#N 1P01EMN1 [0,1,0,1,0,0|1,0,1]=4 2099 B9R1.118 CC1(CN)CCCC=C1 1P01FIHX [0,1,0,1,0,0|1,0,1]=4 2100 B9R1.135 CC1=C(CC1=O)OCC 1P002WU9 [0,1,0,1,0,0|1,0,0]=3 2101 B9R1.6 CC(=O)C1=CNCCC1 1P019L18 [0,1,0,1,0,0|0,0,0]=2 2102 B9R1.6 CC(=O)C1=COCCC1 1P01BSDK [0,1,0,1,0,0|0,0,0]=2 2103 B9R1.6 CC(=O)C1=COCCO1 1P01A0MG [0,1,0,1,0,0|1,0,0]=3 2104 B9R1.6 CC(=O)C1CCC=CC1 1P005NHC [0,1,0,1,0,0|0,0,2]=4 2105 B9R1.6 CC(=O)C1CCCCC1 1P00337P [0,1,0,1,0,0|0,0,2]=4 2106 B9R1.6 CC(=O)C1CCCCN1 1P007DH9 [0,1,0,1,0,0|0,0,2]=4 2107 B9R1.6 CC(=O)C1CCCCO1 1P01BY6Z [0,1,0,1,0,0|0,0,2]=4 2108 B9R1.6 CC(=O)C1CCCNC1 1P00G51Z [0,1,0,1,0,0|0,0,2]=4 2109 B9R1.6 CC(=O)C1CCCNC1 1P00H3H8 [0,1,0,1,0,0|0,0,2]=4 2110 B9R1.6 CC(=O)C1CCCOC1 1P01A63Q [0,1,0,1,0,0|0,0,2]=4 2111 B9R1.6 CC(=O)C1CCNCC1 1P0031UL [0,1,0,1,0,0|0,0,2]=4 2112 B9R1.6 CC(=O)C1CCOCC1 1P001387 [0,1,0,1,0,0|0,0,2]=4 2113 B9R1.6 CC(=O)C1CCSCC1 1P01AFVX [0,1,0,1,0,0|0,0,2]=4 2114 B9R1.6 CC(=O)C1CC[NH2+]CC1 1P0037H4 [0,1,0,1,0,0|0,0,2]=4 2115 B9R1.6 CC(=O)C1CNCCO1 1P000K3R [0,1,0,1,0,0|1,0,1]=4 2116 B9R1.6 CC(=O)C1COCCO1 1P01A0J7 [0,1,0,1,0,0|1,0,1]=4 2117 B9R1.6 CC(=O)N1CCC=CC1 1P01G6KC [0,1,0,1,0,0|0,0,2]=4 2118 B9R1.6 CC(=O)N1CCCCC1 1P003DKT [0,1,0,1,0,0|0,0,2]=4 2119 B9R1.6 CC(=O)N1CCCCO1 1P0288PQ [0,1,0,1,0,0|1,0,1]=4 2120 B9R1.6 CC(=O)N1CCCOC1 1P028Z9H [0,1,0,1,0,0|1,0,1]=4 2121 B9R1.6 CC(=O)N1CCNCC1 1P001A8W [0,1,0,1,0,0|1,0,1]=4 2122 B9R1.6 CC(=O)N1CCOCC1 1P003L3L [0,1,0,1,0,0|1,0,1]=4 2123 B9R1.6 CC(=O)[C@@H]1CCCCN1 1P01ANWE [0,1,0,1,0,0|0,0,2]=4 2124 B9R1.6 CC(=O)[C@H]1CCCCN1 1P01ANWF [0,1,0,1,0,0|0,0,2]=4 2125 B9R1.6 CC(C1=CCCCC1)N 1P00J224 [0,1,0,1,0,0|1,0,1]=4 2126 B9R1.6 NC(=O)C1=CCNCC1 1P028UNB [0,1,0,1,0,0|1,0,0]=3 2127 B9R1.6 NC(=O)C1=CNCCC1 1P00FAZF [0,1,0,1,0,0|1,0,0]=3 2128 B9R1.6 OC(=O)C1=CCCCC1 1P003EPS [0,1,0,1,0,0|1,0,0]=3 2129 B9R1.6 OC(=O)C1=CCCCO1 1P0034MW [0,1,0,1,0,0|1,0,0]=3 2130 B9R1.6 OC(=O)C1=CCCNC1 1P00EFBN [0,1,0,1,0,0|1,0,0]=3 2131 B9R1.6 OC(=O)C1=CCCOC1 1P00022F [0,1,0,1,0,0|1,0,0]=3 2132 B9R1.6 OC(=O)C1=CCCSC1 1P01AI3M [0,1,0,1,0,0|1,0,0]=3 2133 B9R1.6 OC(=O)C1=CCNCC1 1P00330Q [0,1,0,1,0,0|1,0,0]=3 2134 B9R1.6 OC(=O)C1=CCOCC1 1P01A72P [0,1,0,1,0,0|1,0,0]=3 2135 B9R1.6 OC(=O)C1=COCCC1 1P00CLQT [0,1,0,1,0,0|1,0,0]=3 2136 B9R1.6 OC(=O)C1=COCCO1 1P00EJAE [0,1,0,1,0,0|2,0,0]=4 2137 B9R1.6 OC(=O)C1=CSCCO1 1P000GOL [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.6 OC(=O)C1CCCC=C1 1P01A4K3 [0,1,0,1,0,0|1,0,0]=3 2139 B9R1.6 OC(=O)C1CNCC=C1 1P028N0D [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.6 OC(=O)C1NCCC=C1 1P0206WO [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.6 [O-][N+](=O)C1=CCCCC1 1P0033AB [0,1,0,1,0,0|2,0,0]=4 2142 B9R1.9 CCCCC1CC(=O)C1 1P028FK0 [0,1,0,1,0,0|0,0,2]=4 2143 B9R1.9 CCCOC1CC(=O)C1 1P0289SK [0,1,0,1,0,0|0,0,2]=4 2144 B9R1.9 COCCC1CC(=O)C1 1P01FJOE [0,1,0,1,0,0|0,0,2]=4 2145 B9R1.9 CSCCC1CC(=O)C1 1P028D5Q [0,1,0,1,0,0|0,0,2]=4 2146 B9R1.46 C[C@@H]1C[C@H]1\C=C\C(=O)O 1P028CVI [0,1,0,1,0,0|1,0,0]=3 2147 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1O 1P0285YS [0,1,0,1,0,0|1,0,1]=4 2148 B9R1.67 CC(=O)OC1CCC1O 1P0209BQ [0,1,0,1,0,0|1,0,1]=4 2149 B9R1.84 CC(=O)NCC1CCN1 1P028URZ [0,1,0,1,0,0|1,0,1]=4 2150 B9R1.84 CC(=O)OCC1CNC1 1P0286NK [0,1,0,1,0,0|1,0,1]=4 2151 B9R1.84 OC(=O)C=CC1CCC1 1P019UII [0,1,0,1,0,0|1,0,0]=3 2152 B9R1.84 OC(=O)\C=C\C1CCC1 1P01DH74 [0,1,0,1,0,0|1,0,0]=3 2153 B9R1.84 [O-][N+](=O)C=CC1CCC1 1P028G5P [0,1,0,1,0,0|2,0,0]=4 2154 B9R1.148 O=S1(=O)NCCCC=C1 1P028DDU [0,1,0,1,0,0|2,0,0]=4 2155 B9R1.23 CCn1cc(c(n1)C)Br 1P00DD4B [0,1,0,1,0,0|2,0,0]=4 2156 B9R1.23 CCn1cc(c(n1)C)Cl 1P00JDRH [0,1,0,1,0,0|2,0,0]=4 2157 B9R1.23 CCn1cc(c(n1)C)I 1P00HGWU [0,1,0,1,0,0|2,0,0]=4 2158 B9R1.23 CCn1cc(c(n1)C)N 1P000Q04 [0,1,0,1,0,0|2,0,0]=4 2159 B9R1.23 CCn1cc(c(n1)C)N 1P008XYH [0,1,0,1,0,0|2,0,0]=4 2160 B9R1.23 CCn1cc(c(n1)C)N 1P00IIZW [0,1,0,1,0,0|2,0,0]=4 2161 B9R1.35 CC(=O)c1c[nH]c(c1)C 1P00EM9F [0,1,0,1,0,0|1,0,1]=4 2162 B9R1.35 CC(C1SCC(=O)C1)C 1P01BE0E [0,1,0,1,0,0|1,0,1]=4 2163 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,1,0,1,0,0|1,0,0]=3 2164 B9R1.35 CN1CC(=CC1)C(=O)O 1P028S9Q [0,1,0,1,0,0|2,0,0]=4 2165 B9R1.35 Cc1ccc(o1)C(=O)C 1P000J0G [0,1,0,1,0,0|0,0,2]=4 2166 B9R1.35 Cc1ccc(o1)C(N)C 1P00EECV [0,1,0,1,0,0|0,0,2]=4 2167 B9R1.35 Cc1ccc(o1)[C@@H](O)C 1P019RPC [0,1,0,1,0,0|0,0,2]=4 2168 B9R1.35 Cc1ccc(o1)[C@H](N)C 1P01KA8N [0,1,0,1,0,0|0,0,2]=4 2169 B9R1.35 Cc1ccc(s1)C(=O)C 1P0012U7 [0,1,0,1,0,0|0,0,2]=4 2170 B9R1.35 Cc1ccc(s1)C(N)C 1P019XL6 [0,1,0,1,0,0|0,1,1]=4 2171 B9R1.35 Cc1ccc(s1)C(O)C 1P01DWTR [0,1,0,1,0,0|0,1,1]=4 2172 B9R1.35 Cc1ccc(s1)C(S)C 1P01AH7L [0,1,0,1,0,0|0,1,1]=4 2173 B9R1.35 Cc1ccn(n1)C(C)C 1P00AUGZ [0,1,0,1,0,0|2,0,0]=4 2174 B9R1.35 Cc1ncc(s1)C(=O)C 1P00DJQ9 [0,1,0,1,0,0|1,0,1]=4 2175 B9R1.35 Cc1occ(n1)C(=O)C 1P00G984 [0,1,0,1,0,0|1,0,1]=4 2176 B9R1.35 Cc1scc(c1)C(=O)C 1P00FGLX [0,1,0,1,0,0|1,0,1]=4 2177 B9R1.35 Cc1scc(n1)C(=O)C 1P002MB4 [0,1,0,1,0,0|1,0,1]=4 2178 B9R1.35 Cn1ccc(c1)C(=O)C 1P003J9N [0,1,0,1,0,0|1,0,1]=4 2179 B9R1.35 Cn1ccc(n1)C(=O)C 1P0014IN [0,1,0,1,0,0|1,0,1]=4 2180 B9R1.35 Cn1ncc(c1)C(=O)C 1P0038EA [0,1,0,1,0,0|2,0,0]=4 2181 B9R1.35 IC1CCN(C1)C(=O)C 1P00AB5S [0,1,0,1,0,0|1,0,1]=4 2182 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,1,0,1,0,0|1,0,0]=3 2183 B9R1.35 NC1CCN(C1)C(=O)C 1P001BEW [0,1,0,1,0,0|1,0,1]=4 2184 B9R1.35 NC1CCN(C1)C(=O)C 1P003ED2 [0,1,0,1,0,0|1,0,1]=4 2185 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P000YPL [0,1,0,1,0,0|1,0,1]=4 2186 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P0092PG [0,1,0,1,0,0|1,0,1]=4 2187 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P028ZQ0 [0,1,0,1,0,0|1,0,1]=4 2188 B9R1.35 N[C@H]1CCN(C1)C(=O)C 1P0004TU [0,1,0,1,0,0|1,0,1]=4 2189 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,1,0,1,0,0|1,0,1]=4 2190 B9R1.35 O=C1CCC(C1)C(C)C 1P0090HJ [0,1,0,1,0,0|0,0,2]=4 2191 B9R1.35 O=C1NCC(C1)C(C)C 1P00K0B2 [0,1,0,1,0,0|1,0,1]=4 2192 B9R1.35 OC1CCN(C1)C(=O)C 1P002MOY [0,1,0,1,0,0|1,0,1]=4 2193 B9R1.35 O[C@@H]1CCN(C1)C(=O)C 1P003COI [0,1,0,1,0,0|1,0,1]=4 2194 B9R1.35 O[C@H]1CCN(C1)C(=O)C 1P003D0C [0,1,0,1,0,0|1,0,1]=4 2195 B9R1.69 CC1CCC(C(=O)C1)C 1P003GGK [0,1,0,1,0,0|0,0,2]=4 2196 B9R1.69 O=C1CCC(C(C1)C)C 1P003IZE [0,1,0,1,0,0|0,0,2]=4 2197 B9R1.110 C=C(C(=O)O)C1CCC1 1P01BBYZ [0,1,0,1,0,0|1,0,1]=4 2198 B9R1.110 FC(=C1CCC1)C(=O)O 1P01C40L [0,1,0,1,0,0|1,0,0]=3 2199 B9R1.110 FC(=C1CNC1)C(=O)O 1P028SAV [0,1,0,1,0,0|2,0,0]=4 2200 B9R1.110 O=C(C(=O)O)C1CCC1 1P006ZNK [0,1,0,1,0,0|1,0,1]=4 2201 B9R1.110 O=C(C(=O)O)N1CCC1 1P00GMT2 [0,1,0,1,0,0|2,0,0]=4 2202 B9R1.112 C\C(=C/C1CC1)\C(=O)O 1P01EMJC [0,1,0,1,0,0|1,0,0]=3 2203 B9R1.112 F\C(=C/C1CC1)\C(=O)O 1P01DWHK [0,1,0,1,0,0|1,0,0]=3 2204 B9R1.112 O=C(C(=O)O)NC1CC1 1P0027W2 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.163 CC(=O)C1(C)CCCC1 1P0080OC [0,1,0,1,0,0|0,0,2]=4 2206 B9R1.163 CC(=O)C1(C)CCCO1 1P01BG4E [0,1,0,1,0,0|1,0,1]=4 2207 B9R1.163 CC(=O)C1(Cl)CCCC1 1P028W24 [0,1,0,1,0,0|0,0,2]=4 2208 B9R1.163 CC(=O)C1(N)CCCC1 1P028JK3 [0,1,0,1,0,0|0,0,2]=4 2209 B9R1.163 CC(=O)C1(O)CCCC1 1P00APLL [0,1,0,1,0,0|0,0,2]=4 2210 B9R1.10 NC1CCC(C=C1)(C)C 1P01EMDB [0,1,0,1,0,0|1,0,1]=4 2211 B9R1.82 COC(=O)C1=CC(=O)C1 1P02863B [0,1,0,1,0,0|1,0,1]=4 2212 B9R1.125 CCC1(C)CNC(=O)C1 1P01BC1S [0,1,0,1,0,0|1,0,1]=4 2213 B9R1.133 COC1C=CS(=O)(=O)C1 1P01C30F [0,1,0,1,0,0|2,0,0]=4 2214 B9R2.20 O=C1CCC2C1C=C2 1P01G2UZ [0,0,0,2,0,0|0,0,2]=4 2215 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 1P028N1O [0,0,0,2,0,0|1,0,1]=4 2216 B9R2.20 O=C1OCC2C1CC2 1P028HEY [0,0,0,2,0,0|1,0,1]=4 2217 B9R2.33 O=C1CC2C(C1)CC2 1P01ANQU [0,0,0,2,0,0|0,0,2]=4 2218 B9R2.33 O=C1NC2C(C1)CC2 1P00BMW1 [0,0,0,2,0,0|1,0,1]=4 2219 B9R2.39 CC1CC2CC1C=C2 1P003NCL [0,0,0,2,0,0|1,0,1]=4 2220 B9R2.39 O=C1CC2CC1C=C2 1P006CL6 [0,0,0,2,0,0|0,0,2]=4 2221 B9R2.39 O=C1CC2CC1OC2 1P028MXT [0,0,0,2,0,0|1,0,1]=4 2222 B9R2.39 O=C1CC2OC1CC2 1P01C1RJ [0,0,0,2,0,0|1,0,1]=4 2223 B9R2.39 O=C1C[C@@H]2C[C@H]1C=C2 1P01C3HO [0,0,0,2,0,0|0,0,2]=4 2224 B9R2.68 C1=CC2CC(C1)CC2 1P003ONH [0,0,0,2,0,0|1,0,1]=4 2225 B9R2.68 C1=CC2CC(C1)CN2 1P028X4L [0,0,0,2,0,0|1,0,1]=4 2226 B9R2.68 C1=CC2NC(C1)CC2 1P01A2PP [0,0,0,2,0,0|1,0,1]=4 2227 B9R2.110 NC12CCC(C1)C=C2 1P028L1N [0,0,0,2,0,0|1,0,1]=4 2228 B9R2.139 O=C1C=CC2(C1)CC2 1P000C66 [0,0,0,2,0,0|0,0,0]=2 2229 B9R2.139 O=C1CCC2(C1)CC2 1P01JUO6 [0,0,0,2,0,0|0,0,2]=4 2230 B9R2.139 O=C1NCC2(C1)CC2 1P00I0A7 [0,0,0,2,0,0|1,0,1]=4 2231 B9R2.139 O=C1OCC2(C1)CC2 1P00CLIQ [0,0,0,2,0,0|1,0,1]=4 2232 B9R2.8 O=C1CC2CC(C1)C2 1P01JUWJ [0,0,0,2,0,0|0,0,2]=4 2233 B9R2.8 O=C1CC2CC(N1)C2 1P028CW6 [0,0,0,2,0,0|1,0,1]=4 2234 B9R2.21 O=C1CCC2C(N1)C2 1P01XADD [0,0,0,2,0,0|1,0,1]=4 2235 B9R2.21 O=C1NCC2C(C1)C2 1P01DYS4 [0,0,0,2,0,0|1,0,1]=4 2236 B9R2.109 O=C1CCCC2C1C2 1P00EPUV [0,0,0,2,0,0|0,0,2]=4 2237 B9R2.109 O=C1CCCC2C1O2 1P005RRW [0,0,0,2,0,0|1,0,1]=4 2238 B9R2.109 O=C1CCC[C@H]2[C@@H]1C2 1P01C447 [0,0,0,2,0,0|0,0,2]=4 2239 B9R2.109 O=C1COCC2C1C2 1P028T0V [0,0,0,2,0,0|1,0,1]=4 2240 B9R2.109 O=C1NCCC2C1C2 1P01P9DH [0,0,0,2,0,0|1,0,1]=4 2241 B9R2.7 C1C2CC=CC2C1=O 1P00DLJ2 [0,0,0,2,0,0|0,0,2]=4 2242 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 1P00J3A0 [0,0,0,2,0,0|1,0,1]=4 2243 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 1P00BH0A [0,0,0,2,0,0|1,0,1]=4 2244 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 1P0076ML [0,0,0,2,0,0|1,0,1]=4 2245 B9R2.41 O=C1CC(C1)C2CC2 1P00GB5O [0,0,0,2,0,0|0,0,2]=4 2246 B9R2.138 O=C1CC2(C1)CCC2 1P00I648 [0,0,0,2,0,0|0,0,2]=4 2247 B9R2.138 O=C1CC2(N1)CCC2 1P00VS9A [0,0,0,2,0,0|1,0,1]=4 2248 B9R2.52 C1CCC2C(C=C1)O2 1P01IXH2 [0,0,0,2,0,0|0,0,2]=4 2249 B9R2.143 CC(=O)C1CC12CC2 1P00BQH3 [0,0,0,2,0,0|0,0,2]=4