0 B5R0.1 BrC(=C)CC#N 1P028ZWY [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 BrCC=C(C)C 1P0033YB [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 BrCCC(Br)C 1P007W1R [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 BrCCC(C)C 1P003EL0 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 BrCCN(C)C 1P002WCR [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C=CCN(C)C 1P003T1I [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC#CC(=O)C 1P008R9O [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC#CC(=O)Cl 1P01GBON [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC#CC(=O)N 1P0284HG [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC#CC(=O)O 1P0037I0 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CC#CC(Br)C 1P005Y9O [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC#CC(C)C 1P002L45 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC#CC(N)C 1P01EBZN [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(=C)CCBr 1P002D6V [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CC(=C)CCI 1P01BBJI [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(=C)CCN 1P01AVCN [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CC(=C)CCO 1P003K67 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 CC(=C)CNN 1P001E50 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CC(=C)CON 1P00DCMU [0,0,0,0,0,0|2,1,0]=3 19 B5R0.1 CC(=C)N=C=O 1P01GDE9 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CC(=CC#N)N 1P003JE4 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CC(=NC#N)N 1P019MHI [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 CC(=O)C=NO 1P00314I [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CC(=O)CC#N 1P002PIW [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CC(=O)CC=C 1P001AA7 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.1 CC(=O)CCBr 1P002W1I [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 CC(=O)CCCl 1P0036JS [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CC(=O)CCI 1P028RF9 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.1 CC(=O)CCN 1P00I4LI [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 CC(=O)CCO 1P0034IJ [0,0,0,0,0,0|2,0,0]=2 30 B5R0.1 CC(=O)N=C=S 1P001189 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CC(=O)NC=C 1P003TV1 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(=O)NCO 1P0037Q6 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CC(=O)OC=C 1P003O49 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC(=O)OCBr 1P003P1B [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 CC(=O)OCCl 1P0037HI [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 CC(=O)OCI 1P01BE17 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CC(=O)SCBr 1P01BIB9 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 CC(=O)SCI 1P01EMD1 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 CC(CC#C)Br 1P02911Q [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CC(CC#C)C 1P003M6F [0,0,0,0,0,0|2,0,2]=4 42 B5R0.1 CC(CC#C)I 1P028G9A [0,0,0,0,0,0|2,0,2]=4 43 B5R0.1 CC(CC#C)N 1P024W9R [0,0,0,0,0,0|2,0,2]=4 44 B5R0.1 CC(CC#C)O 1P003MFB [0,0,0,0,0,0|1,0,3]=4 45 B5R0.1 CC(CC#N)Br 1P002KSY [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CC(CC#N)C 1P003480 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CC(CC#N)N 1P00DM06 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CC(CC#N)O 1P003K13 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.1 CC(CC=C)Br 1P00CRRM [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CC(CC=C)I 1P027V5I [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CC(CC=C)N 1P01AJI0 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 CC(CC=C)O 1P003MEX [0,0,0,0,0,0|1,0,3]=4 53 B5R0.1 CC(CCBr)F 1P01BH5M [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 CC(CCBr)O 1P00EBF3 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CC(CCCl)N 1P01BYC3 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(CCCl)O 1P01B263 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CC(CCN)Br 1P028AQ0 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(CCN)F 1P01BCXC [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(CCN)O 1P00C8Q0 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CC(CCN)S 1P01BU4X [0,0,0,0,0,0|2,1,1]=4 61 B5R0.1 CC(CCO)Cl 1P01AV14 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(CCO)F 1P0280HC [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CC(CCO)N 1P002WI2 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CC(CCO)S 1P019RAT [0,0,0,0,0,0|2,1,1]=4 65 B5R0.1 CC(CCS)N 1P028S04 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CC(CNN)O 1P00757H [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 CC(CON)O 1P00CNOF [0,0,0,0,0,0|1,1,2]=4 68 B5R0.1 CC(CON)O 1P00IJ60 [0,0,0,0,0,0|1,1,2]=4 69 B5R0.1 CC(C[N+]#[C-])C 1P01I7C4 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CC=CC(=O)C 1P0039SF [0,0,0,0,0,0|1,0,1]=2 71 B5R0.1 CC=CC(=O)N 1P002NE7 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.1 CCCB(O)O 1P0025SU [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CCCC(=C)C 1P003I23 [0,0,0,0,0,0|2,0,0]=2 74 B5R0.1 CCCC(=N)N 1P003ABQ [0,0,0,0,0,0|3,0,0]=3 75 B5R0.1 CCCC(=O)C 1P0038PH [0,0,0,0,0,0|1,0,0]=1 76 B5R0.1 CCCC(=O)N 1P003P36 [0,0,0,0,0,0|2,0,0]=2 77 B5R0.1 CCCC(=O)O 1P0038GU [0,0,0,0,0,0|2,0,0]=2 78 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.1 CCCC(=O)[O-] 1P01XCJO [0,0,0,0,0,0|2,0,0]=2 80 B5R0.1 CCCC(=S)N 1P001WK6 [0,0,0,0,0,0|2,1,0]=3 81 B5R0.1 CCCC(=S)O 1P003K88 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.1 CCCC(Br)C 1P003BNB [0,0,0,0,0,0|2,0,1]=3 83 B5R0.1 CCCC(N)C 1P003H0I [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 CCCC(N)C 1P019VIM [0,0,0,0,0,0|2,0,1]=3 85 B5R0.1 CCCC(O)C 1P00F3M1 [0,0,0,0,0,0|1,0,2]=3 86 B5R0.1 CCCC(S)C 1P002K5F [0,0,0,0,0,0|1,1,1]=3 87 B5R0.1 CCCN(=O)=O 1P003F15 [0,0,0,0,0,0|3,0,0]=3 88 B5R0.1 CCCS(=O)Cl 1P002N6R [0,0,0,0,0,0|3,0,0]=3 89 B5R0.1 CCCS(=O)N 1P01BFYB [0,0,0,0,0,0|3,0,0]=3 90 B5R0.1 CCC[C@@H](N)C 1P003AOE [0,0,0,0,0,0|2,0,1]=3 91 B5R0.1 CCC[C@@H](O)C 1P002SLB [0,0,0,0,0,0|1,0,2]=3 92 B5R0.1 CCC[C@H](N)C 1P01DUMC [0,0,0,0,0,0|2,0,1]=3 93 B5R0.1 CCC[C@H](O)C 1P0032K0 [0,0,0,0,0,0|1,0,2]=3 94 B5R0.1 CCNC(=N)N 1P003TH2 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.1 CCNC(=O)C 1P003TGP [0,0,0,0,0,0|2,0,0]=2 96 B5R0.1 CCNC(=O)N 1P0035E0 [0,0,0,0,0,0|3,0,0]=3 97 B5R0.1 CCNC(=S)N 1P003R0B [0,0,0,0,0,0|3,1,0]=4 98 B5R0.1 CCNC(C)C 1P002CP2 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 CCOC(=N)C 1P0035CH [0,0,0,0,0,0|3,0,0]=3 100 B5R0.1 CCOC(=O)C 1P001G6Z [0,0,0,0,0,0|2,0,0]=2 101 B5R0.1 CCOC(=O)N 1P003691 [0,0,0,0,0,0|3,0,0]=3 102 B5R0.1 CCOC(=S)C 1P003QF6 [0,0,0,0,0,0|2,1,0]=3 103 B5R0.1 CCOC(=S)Cl 1P007LT2 [0,0,0,0,0,0|3,1,0]=4 104 B5R0.1 CCOC(=S)N 1P00391U [0,0,0,0,0,0|3,1,0]=4 105 B5R0.1 CCOC(C)C 1P003QW6 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.1 CCOC(Cl)C 1P00FMJI [0,0,0,0,0,0|3,0,1]=4 107 B5R0.1 CCOP(=O)C 1P001V0C [0,0,0,0,0,0|3,0,0]=3 108 B5R0.1 CCO[SiH](C)C 1P001LI7 [0,0,0,0,0,0|3,1,0]=4 109 B5R0.1 CCSC(=N)N 1P003UPH [0,0,0,0,0,0|4,0,0]=4 110 B5R0.1 CCSC(C)C 1P003QW7 [0,0,0,0,0,0|3,0,1]=4 111 B5R0.1 CC[O+]=C(N)N 1P00BZYF [0,0,0,0,0,0|4,0,0]=4 112 B5R0.1 CN(CC#C)C 1P00337R [0,0,0,0,0,0|3,0,1]=4 113 B5R0.1 CN(CC#N)C 1P019MYJ [0,0,0,0,0,0|4,0,0]=4 114 B5R0.1 CN(CCO)N 1P028MN5 [0,0,0,0,0,0|4,0,0]=4 115 B5R0.1 CNCC(=C)Br 1P02823C [0,0,0,0,0,0|2,0,1]=3 116 B5R0.1 CNCC(=C)C 1P01BV54 [0,0,0,0,0,0|2,0,0]=2 117 B5R0.1 CNCC(=C)F 1P028F1V [0,0,0,0,0,0|2,0,1]=3 118 B5R0.1 CNCC(=O)N 1P0033CB [0,0,0,0,0,0|2,0,0]=2 119 B5R0.1 CNCC(=O)O 1P003UNZ [0,0,0,0,0,0|2,0,0]=2 120 B5R0.1 CNCC(=O)O 1P003UO1 [0,0,0,0,0,0|2,0,0]=2 121 B5R0.1 CNCC(Br)F 1P027VPR [0,0,0,0,0,0|3,0,1]=4 122 B5R0.1 CNCC(C)C 1P003TOH [0,0,0,0,0,0|2,0,1]=3 123 B5R0.1 CNCC(C)C 1P01A81L [0,0,0,0,0,0|2,0,1]=3 124 B5R0.1 CNCC(Cl)Cl 1P01BBY6 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.1 CNCC(Cl)F 1P0291RS [0,0,0,0,0,0|3,0,1]=4 126 B5R0.1 CNCC(F)F 1P009IDJ [0,0,0,0,0,0|3,0,1]=4 127 B5R0.1 CNCC(N)C 1P019ZXS [0,0,0,0,0,0|2,0,1]=3 128 B5R0.1 CNCC(O)C 1P001XCL [0,0,0,0,0,0|1,0,2]=3 129 B5R0.1 CNC[C@@H](O)C 1P00FID0 [0,0,0,0,0,0|1,0,2]=3 130 B5R0.1 CNC[C@@H](O)C 1P01BB67 [0,0,0,0,0,0|1,0,2]=3 131 B5R0.1 CNC[C@H](O)C 1P00A1NI [0,0,0,0,0,0|1,0,2]=3 132 B5R0.1 CNC[C@H](O)C 1P01BAVA [0,0,0,0,0,0|1,0,2]=3 133 B5R0.1 CNN=C(N)C 1P01BE58 [0,0,0,0,0,0|3,0,0]=3 134 B5R0.1 CNNC(=O)C 1P0284CW [0,0,0,0,0,0|2,0,0]=2 135 B5R0.1 CNNC(=S)N 1P00BDKA [0,0,0,0,0,0|3,1,0]=4 136 B5R0.1 CNNC(=S)N 1P028905 [0,0,0,0,0,0|3,1,0]=4 137 B5R0.1 CNOC(=O)C 1P003TW6 [0,0,0,0,0,0|2,0,0]=2 138 B5R0.1 COCC(=C)Br 1P003ZIJ [0,0,0,0,0,0|1,1,1]=3 139 B5R0.1 COCC(=C)C 1P00CC6P [0,0,0,0,0,0|1,1,0]=2 140 B5R0.1 COCC(=N)N 1P002EXM [0,0,0,0,0,0|2,1,0]=3 141 B5R0.1 COCC(=O)C 1P0035LL [0,0,0,0,0,0|0,1,0]=1 142 B5R0.1 COCC(=O)Cl 1P003RYU [0,0,0,0,0,0|1,1,0]=2 143 B5R0.1 COCC(=O)N 1P001UIN [0,0,0,0,0,0|1,1,0]=2 144 B5R0.1 COCC(=O)O 1P0035LK [0,0,0,0,0,0|1,1,0]=2 145 B5R0.1 COCC(=S)N 1P00PGHJ [0,0,0,0,0,0|1,2,0]=3 146 B5R0.1 COCC(Br)C 1P007OXE [0,0,0,0,0,0|1,1,1]=3 147 B5R0.1 COCC(I)C 1P01C0MQ [0,0,0,0,0,0|1,1,1]=3 148 B5R0.1 COCC(N)C 1P00IC7T [0,0,0,0,0,0|1,1,1]=3 149 B5R0.1 COCC(O)C 1P003399 [0,0,0,0,0,0|0,1,2]=3 150 B5R0.1 COCC(S)C 1P0289F0 [0,0,0,0,0,0|0,2,1]=3 151 B5R0.1 COCN(C)C 1P00EJXU [0,0,0,0,0,0|2,1,0]=3 152 B5R0.1 COC[C@@H](N)C 1P019T8E [0,0,0,0,0,0|1,1,1]=3 153 B5R0.1 COC[C@@H](O)C 1P002U54 [0,0,0,0,0,0|0,1,2]=3 154 B5R0.1 COC[C@H](N)C 1P003741 [0,0,0,0,0,0|1,1,1]=3 155 B5R0.1 COC[C@H](N)C 1P003CJ4 [0,0,0,0,0,0|1,1,1]=3 156 B5R0.1 COC[C@H](O)C 1P003960 [0,0,0,0,0,0|0,1,2]=3 157 B5R0.1 CON=C(C)C 1P00COAD [0,0,0,0,0,0|2,1,0]=3 158 B5R0.1 CONC(=O)C 1P0037YO [0,0,0,0,0,0|1,1,0]=2 159 B5R0.1 CONC(=O)N 1P00CZW1 [0,0,0,0,0,0|2,1,0]=3 160 B5R0.1 CONC(C)C 1P01A1JI [0,0,0,0,0,0|2,1,1]=4 161 B5R0.1 CP(=O)CC=C 1P028EBH [0,0,0,0,0,0|2,0,1]=3 162 B5R0.1 CS(=O)CC#N 1P00DGN1 [0,0,0,0,0,0|3,0,0]=3 163 B5R0.1 CS(=O)CCCl 1P01C4QD [0,0,0,0,0,0|3,0,0]=3 164 B5R0.1 CS(=O)CCN 1P00DGD5 [0,0,0,0,0,0|3,0,0]=3 165 B5R0.1 CSC=[N+](C)C 1P003T23 [0,0,0,0,0,0|2,0,1]=3 166 B5R0.1 CSCC(=N)N 1P00VW0I [0,0,0,0,0,0|2,0,0]=2 167 B5R0.1 CSCC(=O)C 1P001GCU [0,0,0,0,0,0|0,0,0]=0 168 B5R0.1 CSCC(=O)Cl 1P007DQ1 [0,0,0,0,0,0|1,0,0]=1 169 B5R0.1 CSCC(=O)N 1P0039C2 [0,0,0,0,0,0|1,0,0]=1 170 B5R0.1 CSCC(=O)O 1P003CI8 [0,0,0,0,0,0|1,0,0]=1 171 B5R0.1 CSCC(=S)N 1P001EKS [0,0,0,0,0,0|1,1,0]=2 172 B5R0.1 CSCC(N)C 1P018SKQ [0,0,0,0,0,0|1,0,1]=2 173 B5R0.1 CSCC(O)C 1P00FVJJ [0,0,0,0,0,0|0,0,2]=2 174 B5R0.1 CSCS(=O)C 1P003SLK [0,0,0,0,0,0|1,0,0]=1 175 B5R0.1 CSC[C@@H](N)C 1P024Q9Z [0,0,0,0,0,0|1,0,1]=2 176 B5R0.1 CSC[C@H](N)C 1P028CDR [0,0,0,0,0,0|1,0,1]=2 177 B5R0.1 C[C@@H](CC#C)N 1P0285ZD [0,0,0,0,0,0|2,0,2]=4 178 B5R0.1 C[C@@H](CC#N)N 1P003ASH [0,0,0,0,0,0|3,0,1]=4 179 B5R0.1 C[C@@H](CC#N)O 1P000LF6 [0,0,0,0,0,0|2,0,2]=4 180 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [0,0,0,0,0,0|1,0,3]=4 181 B5R0.1 C[C@@H](CCBr)F 1P028154 [0,0,0,0,0,0|3,0,1]=4 182 B5R0.1 C[C@@H](CCBr)N 1P028GC5 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.1 C[C@@H](CCCl)N 1P027XJN [0,0,0,0,0,0|3,0,1]=4 184 B5R0.1 C[C@@H](CCF)O 1P027YW7 [0,0,0,0,0,0|2,0,2]=4 185 B5R0.1 C[C@@H](CCN)F 1P028TPL [0,0,0,0,0,0|3,0,1]=4 186 B5R0.1 C[C@@H](CCN)O 1P01A1MV [0,0,0,0,0,0|2,0,2]=4 187 B5R0.1 C[C@@H](CCO)F 1P027U2B [0,0,0,0,0,0|3,0,1]=4 188 B5R0.1 C[C@@H](CCO)N 1P00392C [0,0,0,0,0,0|3,0,1]=4 189 B5R0.1 C[C@H](CC#C)N 1P0283BU [0,0,0,0,0,0|2,0,2]=4 190 B5R0.1 C[C@H](CC#N)N 1P0096SL [0,0,0,0,0,0|3,0,1]=4 191 B5R0.1 C[C@H](CC#N)O 1P000NO3 [0,0,0,0,0,0|2,0,2]=4 192 B5R0.1 C[C@H](CC=C)O 1P0032UG [0,0,0,0,0,0|1,0,3]=4 193 B5R0.1 C[C@H](CCBr)F 1P02825X [0,0,0,0,0,0|3,0,1]=4 194 B5R0.1 C[C@H](CCBr)N 1P028G9E [0,0,0,0,0,0|3,0,1]=4 195 B5R0.1 C[C@H](CCCl)N 1P028D19 [0,0,0,0,0,0|3,0,1]=4 196 B5R0.1 C[C@H](CCF)N 1P0285P3 [0,0,0,0,0,0|3,0,1]=4 197 B5R0.1 C[C@H](CCF)O 1P027YXB [0,0,0,0,0,0|2,0,2]=4 198 B5R0.1 C[C@H](CCN)O 1P00I0QG [0,0,0,0,0,0|2,0,2]=4 199 B5R0.1 C[C@H](CCN)O 1P01A1MU [0,0,0,0,0,0|2,0,2]=4 200 B5R0.1 C[C@H](CCO)F 1P0280GN [0,0,0,0,0,0|3,0,1]=4 201 B5R0.1 C[C@H](CCO)N 1P003CQ7 [0,0,0,0,0,0|3,0,1]=4 202 B5R0.1 C\C=C\C(=O)C 1P0032ET [0,0,0,0,0,0|1,0,1]=2 203 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [0,0,0,0,0,0|2,0,1]=3 204 B5R0.1 C\C=C\C(=O)N 1P00EF6M [0,0,0,0,0,0|2,0,1]=3 205 B5R0.1 C\C=C\C(=O)O 1P00353L [0,0,0,0,0,0|2,0,1]=3 206 B5R0.1 C\C=C\C(O)C 1P003KBH [0,0,0,0,0,0|1,0,3]=4 207 B5R0.1 ClC(=O)CC#N 1P001SSB [0,0,0,0,0,0|3,0,0]=3 208 B5R0.1 ClC(=O)CC=C 1P001EYT [0,0,0,0,0,0|2,0,1]=3 209 B5R0.1 ClC(=O)CCBr 1P003JLT [0,0,0,0,0,0|3,0,0]=3 210 B5R0.1 ClCC=C(C)C 1P00387Y [0,0,0,0,0,0|3,0,1]=4 211 B5R0.1 ClCCC(C)C 1P003EON [0,0,0,0,0,0|3,0,1]=4 212 B5R0.1 ClCCC(Cl)C 1P000PH8 [0,0,0,0,0,0|3,0,1]=4 213 B5R0.1 ClCCN(C)C 1P0033QY [0,0,0,0,0,0|4,0,0]=4 214 B5R0.1 ClCCS(=O)Cl 1P01C9JU [0,0,0,0,0,0|4,0,0]=4 215 B5R0.1 ClCC[S+](C)C 1P00BJNK [0,0,0,0,0,0|4,0,0]=4 216 B5R0.1 ClCOC(=O)Cl 1P0038AL [0,0,0,0,0,0|4,0,0]=4 217 B5R0.1 FCCC(=O)Cl 1P006UO9 [0,0,0,0,0,0|3,0,0]=3 218 B5R0.1 FCCN(C)C 1P028TKR [0,0,0,0,0,0|4,0,0]=4 219 B5R0.1 ICCC(C)C 1P0035I5 [0,0,0,0,0,0|3,0,1]=4 220 B5R0.1 ICCN(C)C 1P01BXUP [0,0,0,0,0,0|4,0,0]=4 221 B5R0.1 IC\C=C(/I)\C 1P009JLH [0,0,0,0,0,0|3,0,1]=4 222 B5R0.1 IC\C=C(\I)/C 1P01WK7O [0,0,0,0,0,0|3,0,1]=4 223 B5R0.1 N#CC=C(C)C 1P00DK3B [0,0,0,0,0,0|3,0,1]=4 224 B5R0.1 NC(=N)CC#N 1P01A7G3 [0,0,0,0,0,0|4,0,0]=4 225 B5R0.1 NC(=N)CCO 1P000YQA [0,0,0,0,0,0|4,0,0]=4 226 B5R0.1 NC(=N)CCO 1P00DC0R [0,0,0,0,0,0|4,0,0]=4 227 B5R0.1 NC(=O)CC#N 1P0033QM [0,0,0,0,0,0|3,0,0]=3 228 B5R0.1 NC(=O)CCBr 1P003919 [0,0,0,0,0,0|3,0,0]=3 229 B5R0.1 NC(=O)CCCl 1P003JS0 [0,0,0,0,0,0|3,0,0]=3 230 B5R0.1 NC(=O)CCO 1P002TZD [0,0,0,0,0,0|3,0,0]=3 231 B5R0.1 NC(=O)CCS 1P0038WG [0,0,0,0,0,0|3,0,0]=3 232 B5R0.1 NC(=O)CN=C 1P003SKE [0,0,0,0,0,0|2,0,1]=3 233 B5R0.1 NC(=O)CNO 1P0281CX [0,0,0,0,0,0|3,0,0]=3 234 B5R0.1 NC(=O)NC=C 1P0080RL [0,0,0,0,0,0|3,0,1]=4 235 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [0,0,0,0,0,0|3,0,1]=4 236 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [0,0,0,0,0,0|3,0,1]=4 237 B5R0.1 NC(=S)CC#N 1P003703 [0,0,0,0,0,0|3,1,0]=4 238 B5R0.1 NC(=S)CCO 1P0291FG [0,0,0,0,0,0|3,1,0]=4 239 B5R0.1 NCC=C(C)C 1P0018SM [0,0,0,0,0,0|3,0,1]=4 240 B5R0.1 NCC=C(C)C 1P00BCD3 [0,0,0,0,0,0|3,0,1]=4 241 B5R0.1 NCCC(=N)N 1P01ACE1 [0,0,0,0,0,0|4,0,0]=4 242 B5R0.1 NCCC(=O)N 1P00E94U [0,0,0,0,0,0|3,0,0]=3 243 B5R0.1 NCCC(=O)O 1P00369Y [0,0,0,0,0,0|3,0,0]=3 244 B5R0.1 NCCC(=S)N 1P01EIHU [0,0,0,0,0,0|3,1,0]=4 245 B5R0.1 NCCC(C)C 1P0035IO [0,0,0,0,0,0|3,0,1]=4 246 B5R0.1 NCCC(C)C 1P00DNHQ [0,0,0,0,0,0|3,0,1]=4 247 B5R0.1 NCCC(N)C 1P01AKTL [0,0,0,0,0,0|3,0,1]=4 248 B5R0.1 NCCN(C)C 1P0033QZ [0,0,0,0,0,0|4,0,0]=4 249 B5R0.1 NCCN(C)C 1P01JRDL [0,0,0,0,0,0|4,0,0]=4 250 B5R0.1 NCCP(=O)O 1P028LEE [0,0,0,0,0,0|4,0,0]=4 251 B5R0.1 NCCS(=O)O 1P0035H1 [0,0,0,0,0,0|4,0,0]=4 252 B5R0.1 NNCC(=O)N 1P00E0F3 [0,0,0,0,0,0|3,0,0]=3 253 B5R0.1 NNCC(=O)O 1P001GYX [0,0,0,0,0,0|3,0,0]=3 254 B5R0.1 NNCC(=O)O 1P01A6IH [0,0,0,0,0,0|3,0,0]=3 255 B5R0.1 NNCC(C)C 1P002ONR [0,0,0,0,0,0|3,0,1]=4 256 B5R0.1 NNCC(C)C 1P00C79N [0,0,0,0,0,0|3,0,1]=4 257 B5R0.1 NNCC(C)C 1P01A4K7 [0,0,0,0,0,0|3,0,1]=4 258 B5R0.1 NNCC(N)C 1P01B8TM [0,0,0,0,0,0|3,0,1]=4 259 B5R0.1 NOCC(=C)Cl 1P028BSS [0,0,0,0,0,0|2,1,1]=4 260 B5R0.1 NOCC(=O)N 1P007ETV [0,0,0,0,0,0|2,1,0]=3 261 B5R0.1 NOCC(=O)N 1P01A4U9 [0,0,0,0,0,0|2,1,0]=3 262 B5R0.1 NOCC(=O)O 1P00291K [0,0,0,0,0,0|2,1,0]=3 263 B5R0.1 NOCC(=O)O 1P002Y6G [0,0,0,0,0,0|2,1,0]=3 264 B5R0.1 NOCC(=O)O 1P006TUD [0,0,0,0,0,0|2,1,0]=3 265 B5R0.1 NOCC(C)C 1P003TXW [0,0,0,0,0,0|2,1,1]=4 266 B5R0.1 NS(=O)CCCl 1P01C9JV [0,0,0,0,0,0|4,0,0]=4 267 B5R0.1 O=CC=C(C)C 1P00347P [0,0,0,0,0,0|3,0,1]=4 268 B5R0.1 O=CCC(C)C 1P003938 [0,0,0,0,0,0|3,0,1]=4 269 B5R0.1 O=CCN(C)C 1P000R2Q [0,0,0,0,0,0|4,0,0]=4 270 B5R0.1 O=CCN(C)C 1P001GSU [0,0,0,0,0,0|4,0,0]=4 271 B5R0.1 O=NNC(=O)N 1P000UHK [0,0,0,0,0,0|4,0,0]=4 272 B5R0.1 O=S=NC(=O)C 1P001XZM [0,0,0,0,0,0|2,0,1]=3 273 B5R0.1 OC(=O)C#CBr 1P001YWD [0,0,0,0,0,0|3,0,1]=4 274 B5R0.1 OC(=O)C=C=C 1P028O5X [0,0,0,0,0,0|2,0,2]=4 275 B5R0.1 OC(=O)CC#C 1P002NQQ [0,0,0,0,0,0|2,0,1]=3 276 B5R0.1 OC(=O)CC#N 1P00353R [0,0,0,0,0,0|3,0,0]=3 277 B5R0.1 OC(=O)CC#N 1P008VPM [0,0,0,0,0,0|3,0,0]=3 278 B5R0.1 OC(=O)CC=C 1P00369B [0,0,0,0,0,0|2,0,1]=3 279 B5R0.1 OC(=O)CCBr 1P003JLR [0,0,0,0,0,0|3,0,0]=3 280 B5R0.1 OC(=O)CCCl 1P003JS1 [0,0,0,0,0,0|3,0,0]=3 281 B5R0.1 OC(=O)CCF 1P00DG5V [0,0,0,0,0,0|3,0,0]=3 282 B5R0.1 OC(=O)CCI 1P001G70 [0,0,0,0,0,0|3,0,0]=3 283 B5R0.1 OC(=O)CCS 1P00347D [0,0,0,0,0,0|3,0,0]=3 284 B5R0.1 OC(=O)\C=C/Br 1P001VXS [0,0,0,0,0,0|3,0,1]=4 285 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [0,0,0,0,0,0|3,0,1]=4 286 B5R0.1 OC(=O)\C=C/I 1P00E99X [0,0,0,0,0,0|3,0,1]=4 287 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [0,0,0,0,0,0|3,0,1]=4 288 B5R0.1 OC(=O)\C=C\I 1P003CHA [0,0,0,0,0,0|3,0,1]=4 289 B5R0.1 OCC=C(C)C 1P003K5R [0,0,0,0,0,0|3,0,1]=4 290 B5R0.1 OCCC(=C)Br 1P003JHK [0,0,0,0,0,0|3,0,1]=4 291 B5R0.1 OCCC(=C)C 1P008NDS [0,0,0,0,0,0|3,0,0]=3 292 B5R0.1 OCCC(=C)F 1P027XC4 [0,0,0,0,0,0|3,0,1]=4 293 B5R0.1 OCCC(=O)O 1P00387S [0,0,0,0,0,0|3,0,0]=3 294 B5R0.1 OCCC(C)C 1P000KDR [0,0,0,0,0,0|3,0,1]=4 295 B5R0.1 OCCC(O)C 1P003BUN [0,0,0,0,0,0|2,0,2]=4 296 B5R0.1 OCCN(=O)=O 1P0033VL [0,0,0,0,0,0|4,0,0]=4 297 B5R0.1 OCCN(C)C 1P002QJK [0,0,0,0,0,0|4,0,0]=4 298 B5R0.1 OCCN(C)C 1P0033C5 [0,0,0,0,0,0|4,0,0]=4 299 B5R0.1 OCCN(C)C 1P00379C [0,0,0,0,0,0|4,0,0]=4 300 B5R0.1 OCC[C@@H](O)C 1P002PAL [0,0,0,0,0,0|2,0,2]=4 301 B5R0.1 OCC[C@H](O)C 1P0032U4 [0,0,0,0,0,0|2,0,2]=4 302 B5R0.1 ONCC(=C)Br 1P0289B9 [0,0,0,0,0,0|3,0,1]=4 303 B5R0.1 ONCC(=O)O 1P007CCU [0,0,0,0,0,0|3,0,0]=3 304 B5R0.1 SCC=C(C)C 1P00DAZ6 [0,0,0,0,0,0|3,0,1]=4 305 B5R0.1 SCCC(=O)O 1P007OUY [0,0,0,0,0,0|3,0,0]=3 306 B5R0.1 SCCC(C)C 1P003K55 [0,0,0,0,0,0|3,0,1]=4 307 B5R0.1 SCCN(C)C 1P00115M [0,0,0,0,0,0|4,0,0]=4 308 B5R0.1 [C-]#[N+]CC(=C)C 1P028U20 [0,0,0,0,0,0|2,0,1]=3 309 B5R0.1 [O-]C(=CC#N)C 1P019MJL [0,0,0,0,0,0|2,0,2]=4 310 B5R0.1 [O-]C(=O)CC#N 1P00ICJS [0,0,0,0,0,0|3,0,0]=3 311 B5R0.1 [O-]C(=O)CCC 1P001OVQ [0,0,0,0,0,0|2,0,0]=2 312 B5R0.1 [O-]C(=O)CCN 1P001XGH [0,0,0,0,0,0|3,0,0]=3 313 B5R0.1 [O-]C(=O)CCO 1P00EFHM [0,0,0,0,0,0|3,0,0]=3 314 B5R0.1 [O-]C(=O)CNC 1P003UUQ [0,0,0,0,0,0|2,0,0]=2 315 B5R0.1 [O-]C(=O)C[N+]#[C-] 1P00EM2K [0,0,0,0,0,0|2,0,1]=3 316 B5R0.1 [O-]C=CC(=O)C 1P028582 [0,0,0,0,0,0|2,0,1]=3 317 B5R0.1 [O-]S(=O)CCC 1P01BCHD [0,0,0,0,0,0|3,0,0]=3 318 B5R0.1 [O-]S(=O)CCCl 1P01C8MB [0,0,0,0,0,0|4,0,0]=4 319 B5R0.1 [O-]S(=O)CCF 1P01C8Q9 [0,0,0,0,0,0|4,0,0]=4 320 B5R0.1 [O-]S(=O)CCO 1P02922D [0,0,0,0,0,0|4,0,0]=4 321 B5R0.1 [O-][N+](=O)C=CC 1P00AT3U [0,0,0,0,0,0|3,0,1]=4 322 B5R0.1 [O-][N+](=O)CC=C 1P00F3HB [0,0,0,0,0,0|3,0,1]=4 323 B5R0.1 [O-][N+](=O)CCBr 1P01BGOF [0,0,0,0,0,0|4,0,0]=4 324 B5R0.1 [S-]C(=S)OCC 1P001CEY [0,0,0,0,0,0|3,1,0]=4 325 B5R0.1 [S-]C(=S)OCC 1P0038R8 [0,0,0,0,0,0|3,1,0]=4 326 B4R0.1 *CC(C)* 1P006XYD [1,0,0,0,0,0|2,0,1]=4 327 B4R0.1 BrC(=C)CI 1P028XX9 [1,0,0,0,0,0|2,0,1]=4 328 B4R0.1 BrC=C(C)C 1P003367 [1,0,0,0,0,0|2,0,1]=4 329 B4R0.1 BrCC(=C)Br 1P0033E7 [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 BrCC(=C)I 1P004W4Z [1,0,0,0,0,0|2,0,1]=4 331 B4R0.1 BrCC(=O)Br 1P003P0X [1,0,0,0,0,0|2,0,0]=3 332 B4R0.1 BrCC(Br)C 1P003DUK [1,0,0,0,0,0|2,0,1]=4 333 B4R0.1 BrCC(C)C 1P003366 [1,0,0,0,0,0|2,0,1]=4 334 B4R0.1 BrCN(=O)=O 1P003516 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.1 C=CC(=C)C 1P003RL1 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.1 C=CC(=O)N 1P00E9WL [1,0,0,0,0,0|1,0,2]=4 337 B4R0.1 C=CC(=O)O 1P01FLHQ [1,0,0,0,0,0|1,0,2]=4 338 B4R0.1 C=CC(=O)O 1P01FLJA [1,0,0,0,0,0|1,0,2]=4 339 B4R0.1 C=CC(=O)[O-] 1P001EHX [1,0,0,0,0,0|1,0,2]=4 340 B4R0.1 C=CC(=O)[O-] 1P0027SQ [1,0,0,0,0,0|1,0,2]=4 341 B4R0.1 C=CC(=O)[O-] 1P002DEV [1,0,0,0,0,0|1,0,2]=4 342 B4R0.1 C=CC(=O)[O-] 1P003RV3 [1,0,0,0,0,0|1,0,2]=4 343 B4R0.1 CC(=C)C#C 1P003I1U [1,0,0,0,0,0|1,0,2]=4 344 B4R0.1 CC(=C)C=O 1P0035LF [1,0,0,0,0,0|1,1,1]=4 345 B4R0.1 CC(=C)CBr 1P001DW1 [1,0,0,0,0,0|2,0,0]=3 346 B4R0.1 CC(=C)CCl 1P0037OP [1,0,0,0,0,0|2,0,0]=3 347 B4R0.1 CC(=C)CI 1P00CNG6 [1,0,0,0,0,0|2,0,0]=3 348 B4R0.1 CC(=C)CN 1P002WWW [1,0,0,0,0,0|2,0,0]=3 349 B4R0.1 CC(=C)CN 1P003I52 [1,0,0,0,0,0|2,0,0]=3 350 B4R0.1 CC(=N)NN 1P00BYO7 [1,0,0,0,0,0|3,0,0]=4 351 B4R0.1 CC(=NO)N 1P00DDO0 [1,0,0,0,0,0|2,1,0]=4 352 B4R0.1 CC(=NO)N 1P01EIQU [1,0,0,0,0,0|2,1,0]=4 353 B4R0.1 CC(=O)C#C 1P001IM3 [1,0,0,0,0,0|0,0,2]=3 354 B4R0.1 CC(=O)C#N 1P003UJX [1,0,0,0,0,0|1,0,1]=3 355 B4R0.1 CC(=O)CN 1P0034X5 [1,0,0,0,0,0|1,0,0]=2 356 B4R0.1 CC(=O)CO 1P000HWA [1,0,0,0,0,0|0,1,0]=2 357 B4R0.1 CC(=O)NBr 1P005BDP [1,0,0,0,0,0|2,0,0]=3 358 B4R0.1 CC(=O)NN 1P003O4C [1,0,0,0,0,0|2,0,0]=3 359 B4R0.1 CC(=O)NO 1P00394C [1,0,0,0,0,0|1,1,0]=3 360 B4R0.1 CC(=O)O[Rh] 1P003614 [1,0,0,0,0,0|1,1,0]=3 361 B4R0.1 CC(=S)NN 1P01GSMY [1,0,0,0,0,0|2,1,0]=4 362 B4R0.1 CC(CBr)N 1P01S4HF [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 CC(CBr)O 1P003EK9 [1,0,0,0,0,0|1,0,2]=4 364 B4R0.1 CC(CCl)Br 1P0037V7 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.1 CC(CCl)N 1P01ACHD [1,0,0,0,0,0|2,0,1]=4 366 B4R0.1 CC(CCl)O 1P000WZ9 [1,0,0,0,0,0|1,0,2]=4 367 B4R0.1 CC(CF)I 1P028LP7 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 CC(CF)N 1P01BBXX [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 CC(CF)O 1P00705J [1,0,0,0,0,0|1,0,2]=4 370 B4R0.1 CC(CI)F 1P0278ZD [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 CC(CI)N 1P0286IZ [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 CC(CI)O 1P01BFNN [1,0,0,0,0,0|1,0,2]=4 373 B4R0.1 CC(CN)Br 1P01DMAL [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 CC(CN)Cl 1P01B9EP [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 CC(CN)F 1P01EIGV [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 CC(CN)O 1P0039OT [1,0,0,0,0,0|1,0,2]=4 377 B4R0.1 CC(CN)O 1P003RL3 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.1 CC(CN)S 1P00COSD [1,0,0,0,0,0|1,1,1]=4 379 B4R0.1 CC(CO)Br 1P00EKKP [1,0,0,0,0,0|1,1,1]=4 380 B4R0.1 CC(CO)Cl 1P005PDW [1,0,0,0,0,0|1,1,1]=4 381 B4R0.1 CC(CO)F 1P00C1AE [1,0,0,0,0,0|1,1,1]=4 382 B4R0.1 CC(CO)N 1P003Q9X [1,0,0,0,0,0|1,1,1]=4 383 B4R0.1 CC(CO)S 1P00C5FE [1,0,0,0,0,0|0,2,1]=4 384 B4R0.1 CC(CS)N 1P01A3A6 [1,0,0,0,0,0|1,0,1]=3 385 B4R0.1 CC(CS)O 1P003EX2 [1,0,0,0,0,0|0,0,2]=3 386 B4R0.1 CC=C(Br)C 1P0011W9 [1,0,0,0,0,0|1,0,1]=3 387 B4R0.1 CC=C(C)C 1P003I2C [1,0,0,0,0,0|1,0,1]=3 388 B4R0.1 CCB(O)O 1P003QYO [1,0,0,0,0,0|2,0,1]=4 389 B4R0.1 CCC(=N)N 1P00BYO6 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.1 CCC(=N)N 1P00I7LL [1,0,0,0,0,0|2,0,0]=3 391 B4R0.1 CCC(=O)Cl 1P003UG7 [1,0,0,0,0,0|1,0,0]=2 392 B4R0.1 CCC(=O)N 1P003UG1 [1,0,0,0,0,0|1,0,0]=2 393 B4R0.1 CCC(=O)O 1P0035ZO [1,0,0,0,0,0|1,0,0]=2 394 B4R0.1 CCC(=O)[O-] 1P003P52 [1,0,0,0,0,0|1,0,0]=2 395 B4R0.1 CCC(=O)[O-] 1P003VUU [1,0,0,0,0,0|1,0,0]=2 396 B4R0.1 CCC(=S)N 1P00365Q [1,0,0,0,0,0|1,1,0]=3 397 B4R0.1 CCC(=S)O 1P002IJ9 [1,0,0,0,0,0|1,0,1]=3 398 B4R0.1 CCC(Br)C 1P0033MU [1,0,0,0,0,0|1,0,1]=3 399 B4R0.1 CCC(C)[O-] 1P003OA3 [1,0,0,0,0,0|0,0,2]=3 400 B4R0.1 CCC(Cl)C 1P003HIL [1,0,0,0,0,0|1,0,1]=3 401 B4R0.1 CCC(Cl)Cl 1P003DOZ [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 CCC(I)C 1P003UOW [1,0,0,0,0,0|1,0,1]=3 403 B4R0.1 CCC(N)C 1P001BNN [1,0,0,0,0,0|1,0,1]=3 404 B4R0.1 CCC(O)C 1P003H9W [1,0,0,0,0,0|0,0,2]=3 405 B4R0.1 CCC(O)O 1P002SZH [1,0,0,0,0,0|1,0,2]=4 406 B4R0.1 CCC(S)C 1P003H9V [1,0,0,0,0,0|0,1,1]=3 407 B4R0.1 CCC([Mg+])C 1P003UP2 [1,0,0,0,0,0|1,0,1]=3 408 B4R0.1 CCC([NH3+])C 1P00I9XG [1,0,0,0,0,0|1,0,1]=3 409 B4R0.1 CCN(N)C 1P01BBPA [1,0,0,0,0,0|2,0,0]=3 410 B4R0.1 CCP(=O)C 1P027S1I [1,0,0,0,0,0|1,0,0]=2 411 B4R0.1 CCS(=O)Cl 1P01BF60 [1,0,0,0,0,0|2,0,0]=3 412 B4R0.1 CCS(=O)N 1P01BFNU [1,0,0,0,0,0|2,0,0]=3 413 B4R0.1 CC[C@@H](N)C 1P0032WO [1,0,0,0,0,0|1,0,1]=3 414 B4R0.1 CC[C@@H](N)C 1P00I6FG [1,0,0,0,0,0|1,0,1]=3 415 B4R0.1 CC[C@@H](O)C 1P003CX5 [1,0,0,0,0,0|0,0,2]=3 416 B4R0.1 CC[C@H](N)C 1P00118A [1,0,0,0,0,0|1,0,1]=3 417 B4R0.1 CC[C@H](N)C 1P00I6FH [1,0,0,0,0,0|1,0,1]=3 418 B4R0.1 CC[C@H](O)C 1P001LSA [1,0,0,0,0,0|0,0,2]=3 419 B4R0.1 CC[SiH](C)C 1P008POW [1,0,0,0,0,0|1,1,0]=3 420 B4R0.1 CN=C(N)C 1P01BBXW [1,0,0,0,0,0|2,0,0]=3 421 B4R0.1 CN=C(N)N 1P00BC71 [1,0,0,0,0,0|3,0,0]=4 422 B4R0.1 CNC(=N)N 1P00339W [1,0,0,0,0,0|3,0,0]=4 423 B4R0.1 CNC(=O)C 1P0035SQ [1,0,0,0,0,0|1,0,0]=2 424 B4R0.1 CNC(=O)Cl 1P00IBUF [1,0,0,0,0,0|2,0,0]=3 425 B4R0.1 CNC(=O)N 1P0035QD [1,0,0,0,0,0|2,0,0]=3 426 B4R0.1 CNC(=S)N 1P003TPB [1,0,0,0,0,0|2,1,0]=4 427 B4R0.1 CNN(C)C 1P00384M [1,0,0,0,0,0|3,0,0]=4 428 B4R0.1 COC(=C)C 1P000HW9 [1,0,0,0,0,0|1,1,0]=3 429 B4R0.1 COC(=N)C 1P001FNK [1,0,0,0,0,0|1,1,0]=3 430 B4R0.1 COC(=N)N 1P00DENI [1,0,0,0,0,0|2,1,0]=4 431 B4R0.1 COC(=O)C 1P0053LN [1,0,0,0,0,0|0,1,0]=2 432 B4R0.1 COC(=O)N 1P003SGG [1,0,0,0,0,0|1,1,0]=3 433 B4R0.1 COC(=S)N 1P005ROA [1,0,0,0,0,0|1,2,0]=4 434 B4R0.1 COC(Cl)C 1P00JO5S [1,0,0,0,0,0|1,1,1]=4 435 B4R0.1 CON(C)C 1P028QUI [1,0,0,0,0,0|2,1,0]=4 436 B4R0.1 COS(=O)C 1P00H8DU [1,0,0,0,0,0|1,1,0]=3 437 B4R0.1 CSC(=N)N 1P00361U [1,0,0,0,0,0|2,0,0]=3 438 B4R0.1 CSC(=N)N 1P00DA51 [1,0,0,0,0,0|2,0,0]=3 439 B4R0.1 CSC(=O)C 1P003UQP [1,0,0,0,0,0|0,0,0]=1 440 B4R0.1 CSC(=O)N 1P01PZH2 [1,0,0,0,0,0|1,0,0]=2 441 B4R0.1 CSC(=S)C 1P00BVKS [1,0,0,0,0,0|0,1,0]=2 442 B4R0.1 CSC(=S)N 1P0292HS [1,0,0,0,0,0|1,1,0]=3 443 B4R0.1 CSC(Cl)C 1P028L6G [1,0,0,0,0,0|1,0,1]=3 444 B4R0.1 C[C@@H](CCl)O 1P00I7UO [1,0,0,0,0,0|1,0,2]=4 445 B4R0.1 C[C@@H](CF)N 1P019Z53 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.1 C[C@@H](CN)O 1P003CWC [1,0,0,0,0,0|1,0,2]=4 447 B4R0.1 C[C@@H](CN)S 1P028700 [1,0,0,0,0,0|1,1,1]=4 448 B4R0.1 C[C@@H](CO)Cl 1P002G3X [1,0,0,0,0,0|1,1,1]=4 449 B4R0.1 C[C@@H](CO)F 1P00IF81 [1,0,0,0,0,0|1,1,1]=4 450 B4R0.1 C[C@@H](CO)N 1P0035JO [1,0,0,0,0,0|1,1,1]=4 451 B4R0.1 C[C@@H](CS)N 1P01DVGH [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 C[C@@H](CS)O 1P01BUOA [1,0,0,0,0,0|0,0,2]=3 453 B4R0.1 C[C@H](CBr)O 1P00090L [1,0,0,0,0,0|1,0,2]=4 454 B4R0.1 C[C@H](CCl)O 1P002FO6 [1,0,0,0,0,0|1,0,2]=4 455 B4R0.1 C[C@H](CF)N 1P00IMQL [1,0,0,0,0,0|2,0,1]=4 456 B4R0.1 C[C@H](CN)F 1P027VQ9 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.1 C[C@H](CN)O 1P003CIX [1,0,0,0,0,0|1,0,2]=4 458 B4R0.1 C[C@H](CN)S 1P028MOY [1,0,0,0,0,0|1,1,1]=4 459 B4R0.1 C[C@H](CO)Cl 1P00BXSZ [1,0,0,0,0,0|1,1,1]=4 460 B4R0.1 C[C@H](CO)F 1P004OGA [1,0,0,0,0,0|1,1,1]=4 461 B4R0.1 C[C@H](CO)N 1P00355B [1,0,0,0,0,0|1,1,1]=4 462 B4R0.1 C[C@H](CO)S 1P02820Z [1,0,0,0,0,0|0,2,1]=4 463 B4R0.1 C[C@H](CS)N 1P01DVGI [1,0,0,0,0,0|1,0,1]=3 464 B4R0.1 C[C@H](CS)O 1P01BUO6 [1,0,0,0,0,0|0,0,2]=3 465 B4R0.1 C\C(=N/O)\N 1P01FT21 [1,0,0,0,0,0|2,1,0]=4 466 B4R0.1 C\C(=N\O)\N 1P007QF8 [1,0,0,0,0,0|2,1,0]=4 467 B4R0.1 C\C=C(/Br)\C 1P003D6B [1,0,0,0,0,0|1,0,1]=3 468 B4R0.1 C\N=[N+](\C)/[O-] 1P01E4EW [1,0,0,0,0,0|2,0,1]=4 469 B4R0.1 ClC(=C)CBr 1P01B61X [1,0,0,0,0,0|2,0,1]=4 470 B4R0.1 ClC(=C)CI 1P01C9T0 [1,0,0,0,0,0|2,0,1]=4 471 B4R0.1 ClC(=O)CBr 1P003P0Y [1,0,0,0,0,0|2,0,0]=3 472 B4R0.1 ClC=C(C)C 1P003EOC [1,0,0,0,0,0|2,0,1]=4 473 B4R0.1 ClCC(=C)Cl 1P00GPPU [1,0,0,0,0,0|2,0,1]=4 474 B4R0.1 ClCC(C)C 1P0036A5 [1,0,0,0,0,0|2,0,1]=4 475 B4R0.1 ClCC(Cl)C 1P003DUW [1,0,0,0,0,0|2,0,1]=4 476 B4R0.1 ClC[SiH](C)C 1P00C86A [1,0,0,0,0,0|2,1,0]=4 477 B4R0.1 ClSC(=O)Cl 1P002UKK [1,0,0,0,0,0|2,0,0]=3 478 B4R0.1 FC(=C)CBr 1P00I7HP [1,0,0,0,0,0|2,0,1]=4 479 B4R0.1 FC(=C)CCl 1P00IBE6 [1,0,0,0,0,0|2,0,1]=4 480 B4R0.1 FC(=C)CI 1P0281SZ [1,0,0,0,0,0|2,0,1]=4 481 B4R0.1 FCC(=C)Br 1P028P9P [1,0,0,0,0,0|2,0,1]=4 482 B4R0.1 ICC(C)C 1P003RJE [1,0,0,0,0,0|2,0,1]=4 483 B4R0.1 NC(=N)CCl 1P003P9P [1,0,0,0,0,0|3,0,0]=4 484 B4R0.1 NC(=N)CCl 1P00BFLZ [1,0,0,0,0,0|3,0,0]=4 485 B4R0.1 NC(=N)CF 1P00J2CQ [1,0,0,0,0,0|3,0,0]=4 486 B4R0.1 NC(=N)CO 1P003A09 [1,0,0,0,0,0|2,1,0]=4 487 B4R0.1 NC(=N)CO 1P00DJH7 [1,0,0,0,0,0|2,1,0]=4 488 B4R0.1 NC(=O)C#C 1P0035ZN [1,0,0,0,0,0|1,0,2]=4 489 B4R0.1 NC(=O)C=C 1P0034W9 [1,0,0,0,0,0|1,0,2]=4 490 B4R0.1 NC(=O)CBr 1P0033MO [1,0,0,0,0,0|2,0,0]=3 491 B4R0.1 NC(=O)CCl 1P003HHZ [1,0,0,0,0,0|2,0,0]=3 492 B4R0.1 NC(=O)CF 1P00JTCL [1,0,0,0,0,0|2,0,0]=3 493 B4R0.1 NC(=O)CI 1P001J7S [1,0,0,0,0,0|2,0,0]=3 494 B4R0.1 NC(=O)CO 1P003HVT [1,0,0,0,0,0|1,1,0]=3 495 B4R0.1 NC(=O)CS 1P005IT7 [1,0,0,0,0,0|1,0,0]=2 496 B4R0.1 NC(=O)NO 1P000WZ7 [1,0,0,0,0,0|2,1,0]=4 497 B4R0.1 NC(=S)CF 1P00IDTZ [1,0,0,0,0,0|2,1,0]=4 498 B4R0.1 NC(=S)CO 1P019U8H [1,0,0,0,0,0|1,2,0]=4 499 B4R0.1 NC(=[NH2+])CS 1P00755V [1,0,0,0,0,0|2,0,0]=3 500 B4R0.1 NCC(=C)Br 1P00ICEF [1,0,0,0,0,0|2,0,1]=4 501 B4R0.1 NCC(=C)Cl 1P0002P5 [1,0,0,0,0,0|2,0,1]=4 502 B4R0.1 NCC(=C)F 1P01X2H7 [1,0,0,0,0,0|2,0,1]=4 503 B4R0.1 NCC(=N)N 1P003GZP [1,0,0,0,0,0|3,0,0]=4 504 B4R0.1 NCC(=N)N 1P027RGW [1,0,0,0,0,0|3,0,0]=4 505 B4R0.1 NCC(=O)N 1P001XFF [1,0,0,0,0,0|2,0,0]=3 506 B4R0.1 NCC(=O)N 1P007FBC [1,0,0,0,0,0|2,0,0]=3 507 B4R0.1 NCC(=O)N 1P00E9KZ [1,0,0,0,0,0|2,0,0]=3 508 B4R0.1 NCC(=O)O 1P0035FO [1,0,0,0,0,0|2,0,0]=3 509 B4R0.1 NCC(=O)O 1P00392S [1,0,0,0,0,0|2,0,0]=3 510 B4R0.1 NCC(=O)O 1P003GZQ [1,0,0,0,0,0|2,0,0]=3 511 B4R0.1 NCC(=O)O 1P003R91 [1,0,0,0,0,0|2,0,0]=3 512 B4R0.1 NCC(=O)[O-] 1P001FPG [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 NCC(=O)[O-] 1P003VUO [1,0,0,0,0,0|2,0,0]=3 514 B4R0.1 NCC(=O)[O-] 1P007GEQ [1,0,0,0,0,0|2,0,0]=3 515 B4R0.1 NCC(=O)[O-] 1P01CD7L [1,0,0,0,0,0|2,0,0]=3 516 B4R0.1 NCC(=S)N 1P01A4KW [1,0,0,0,0,0|2,1,0]=4 517 B4R0.1 NCC(C)C 1P003RJP [1,0,0,0,0,0|2,0,1]=4 518 B4R0.1 NCC(C)C 1P003RJQ [1,0,0,0,0,0|2,0,1]=4 519 B4R0.1 NCC(C)C 1P00C4UX [1,0,0,0,0,0|2,0,1]=4 520 B4R0.1 NCC(C)C 1P00ICXR [1,0,0,0,0,0|2,0,1]=4 521 B4R0.1 NCC(N)C 1P003318 [1,0,0,0,0,0|2,0,1]=4 522 B4R0.1 NC[C@@H](N)C 1P002BGH [1,0,0,0,0,0|2,0,1]=4 523 B4R0.1 NC[C@H](N)C 1P002BHK [1,0,0,0,0,0|2,0,1]=4 524 B4R0.1 NN=C(C)C 1P00DMU1 [1,0,0,0,0,0|3,0,0]=4 525 B4R0.1 NNC(=O)N 1P00361L [1,0,0,0,0,0|3,0,0]=4 526 B4R0.1 NNC(=O)N 1P0037II [1,0,0,0,0,0|3,0,0]=4 527 B4R0.1 NNC(=S)C 1P028L1B [1,0,0,0,0,0|2,1,0]=4 528 B4R0.1 N[13CH2]C(=O)O 1P00C26O [1,0,0,0,0,0|2,0,0]=3 529 B4R0.1 N[13C](=O)[13CH]=[13CH2] 1P00C2PS [1,0,0,0,0,0|1,0,2]=4 530 B4R0.1 O=CC(=O)C 1P00360Q [1,0,0,0,0,0|0,1,1]=3 531 B4R0.1 O=CC(=O)O 1P0035FV [1,0,0,0,0,0|1,1,1]=4 532 B4R0.1 O=CC(=O)O 1P009AKD [1,0,0,0,0,0|1,1,1]=4 533 B4R0.1 O=CC(=O)[O-] 1P003UT9 [1,0,0,0,0,0|1,1,1]=4 534 B4R0.1 OC(=O)C#C 1P003UFX [1,0,0,0,0,0|1,0,2]=4 535 B4R0.1 OC(=O)C=C 1P0036OH [1,0,0,0,0,0|1,0,2]=4 536 B4R0.1 OC(=O)C=C 1P01O7IB [1,0,0,0,0,0|1,0,2]=4 537 B4R0.1 OC(=O)CBr 1P003511 [1,0,0,0,0,0|2,0,0]=3 538 B4R0.1 OC(=O)CCl 1P003B9S [1,0,0,0,0,0|2,0,0]=3 539 B4R0.1 OC(=O)CI 1P003RH9 [1,0,0,0,0,0|2,0,0]=3 540 B4R0.1 OC(=O)CS 1P0039SY [1,0,0,0,0,0|1,0,0]=2 541 B4R0.1 OC(=O)CS 1P003P58 [1,0,0,0,0,0|1,0,0]=2 542 B4R0.1 OCC(=C)Br 1P0032Q5 [1,0,0,0,0,0|1,1,1]=4 543 B4R0.1 OCC(=C)Cl 1P003HBH [1,0,0,0,0,0|1,1,1]=4 544 B4R0.1 OCC(=C)F 1P00EW6X [1,0,0,0,0,0|1,1,1]=4 545 B4R0.1 OCC(=C)I 1P004YYW [1,0,0,0,0,0|1,1,1]=4 546 B4R0.1 OCC(=O)O 1P002RQ6 [1,0,0,0,0,0|1,1,0]=3 547 B4R0.1 OCC(=O)O 1P005YTG [1,0,0,0,0,0|1,1,0]=3 548 B4R0.1 OCC(=O)O 1P00BZ1F [1,0,0,0,0,0|1,1,0]=3 549 B4R0.1 OCC(=O)[O-] 1P002SYD [1,0,0,0,0,0|1,1,0]=3 550 B4R0.1 OCC(C)C 1P0035IA [1,0,0,0,0,0|1,1,1]=4 551 B4R0.1 OCC(O)C 1P00331M [1,0,0,0,0,0|0,1,2]=4 552 B4R0.1 OCC(O)C 1P006EY7 [1,0,0,0,0,0|0,1,2]=4 553 B4R0.1 OCC(O)C 1P00GT0R [1,0,0,0,0,0|0,1,2]=4 554 B4R0.1 OC[C@@H](O)C 1P0032WJ [1,0,0,0,0,0|0,1,2]=4 555 B4R0.1 OC[C@H](O)C 1P0032U3 [1,0,0,0,0,0|0,1,2]=4 556 B4R0.1 ON=C(C)C 1P000WZ8 [1,0,0,0,0,0|2,1,0]=4 557 B4R0.1 OOC(=O)[O-] 1P007UDG [1,0,0,0,0,0|2,1,0]=4 558 B4R0.1 PCC(C)C 1P0074H8 [1,0,0,0,0,0|2,0,1]=4 559 B4R0.1 SCC(=C)Br 1P027YII [1,0,0,0,0,0|1,0,1]=3 560 B4R0.1 SCC(=C)Cl 1P007SWN [1,0,0,0,0,0|1,0,1]=3 561 B4R0.1 SCC(=O)O 1P000KEI [1,0,0,0,0,0|1,0,0]=2 562 B4R0.1 SCC(=O)O 1P000R53 [1,0,0,0,0,0|1,0,0]=2 563 B4R0.1 SCC(=O)[O-] 1P01DNXZ [1,0,0,0,0,0|1,0,0]=2 564 B4R0.1 SCC(C)C 1P003RJW [1,0,0,0,0,0|1,0,1]=3 565 B4R0.1 SCC(F)F 1P0240LA [1,0,0,0,0,0|2,0,1]=4 566 B4R0.1 [15NH2]CC(=O)O 1P00FCSE [1,0,0,0,0,0|2,0,0]=3 567 B4R0.1 [15NH2][13CH2][13C](=O)O 1P00C26A [1,0,0,0,0,0|2,0,0]=3 568 B4R0.1 [O-]C(=O)C#C 1P00GY5Z [1,0,0,0,0,0|1,0,2]=4 569 B4R0.1 [O-]C(=O)C=C 1P0006FB [1,0,0,0,0,0|1,0,2]=4 570 B4R0.1 [O-]C(=O)C=C 1P0011HV [1,0,0,0,0,0|1,0,2]=4 571 B4R0.1 [O-]C(=O)C=C 1P00ICZK [1,0,0,0,0,0|1,0,2]=4 572 B4R0.1 [O-]C(=O)CBr 1P003USJ [1,0,0,0,0,0|2,0,0]=3 573 B4R0.1 [O-]C(=O)CC 1P001350 [1,0,0,0,0,0|1,0,0]=2 574 B4R0.1 [O-]C(=O)CC 1P0035ZP [1,0,0,0,0,0|1,0,0]=2 575 B4R0.1 [O-]C(=O)CCl 1P003625 [1,0,0,0,0,0|2,0,0]=3 576 B4R0.1 [O-]C(=O)CI 1P0030UG [1,0,0,0,0,0|2,0,0]=3 577 B4R0.1 [O-]C(=O)CN 1P002JEZ [1,0,0,0,0,0|2,0,0]=3 578 B4R0.1 [O-]C(=O)CO 1P00BC47 [1,0,0,0,0,0|1,1,0]=3 579 B4R0.1 [O-]C(=O)CS 1P003OCD [1,0,0,0,0,0|1,0,0]=2 580 B4R0.1 [O-]C(=O)CS 1P0078SY [1,0,0,0,0,0|1,0,0]=2 581 B4R0.1 [O-]C(=O)[O-][Ni+2] 1P01XCWZ [1,0,0,0,0,0|2,1,0]=4 582 B4R0.1 [O-]CC(C)C 1P003V60 [1,0,0,0,0,0|1,1,1]=4 583 B4R0.1 [O-]CS(=O)O 1P005AEE [1,0,0,0,0,0|2,1,0]=4 584 B4R0.1 [O-]P(=O)OC 1P028RM0 [1,0,0,0,0,0|2,1,0]=4 585 B4R0.1 [O-]S(=O)CC 1P002D65 [1,0,0,0,0,0|2,0,0]=3 586 B4R0.1 [O-]S(=O)CO 1P00362A [1,0,0,0,0,0|2,1,0]=4 587 B4R0.1 [O-]S(=O)CO 1P00E91X [1,0,0,0,0,0|2,1,0]=4 588 B4R0.2 BrCCC=C 1P0036EE [1,0,0,0,0,0|2,0,1]=4 589 B4R0.2 C=CCC#C 1P003JMA [1,0,0,0,0,0|1,0,2]=4 590 B4R0.2 C=CNC=O 1P000ZZS [1,0,0,0,0,0|2,0,1]=4 591 B4R0.2 CC#CC=O 1P0084H8 [1,0,0,0,0,0|1,0,1]=3 592 B4R0.2 CC=CC#C 1P00711Z [1,0,0,0,0,0|1,0,2]=4 593 B4R0.2 CCC=CC 1P007AVD [1,0,0,0,0,0|1,0,1]=3 594 B4R0.2 CCCC#N 1P007SXW [1,0,0,0,0,0|2,0,1]=4 595 B4R0.2 CCCC=O 1P000KEO [1,0,0,0,0,0|1,0,0]=2 596 B4R0.2 CCCCBr 1P00351A [1,0,0,0,0,0|2,0,1]=4 597 B4R0.2 CCCCCl 1P00337J [1,0,0,0,0,0|2,0,1]=4 598 B4R0.2 CCCCI 1P003EWE [1,0,0,0,0,0|2,0,1]=4 599 B4R0.2 CCCCN 1P001OKC [1,0,0,0,0,0|2,0,1]=4 600 B4R0.2 CCCCN 1P0035TX [1,0,0,0,0,0|2,0,1]=4 601 B4R0.2 CCCCN 1P0039SL [1,0,0,0,0,0|2,0,1]=4 602 B4R0.2 CCCCN 1P003EEJ [1,0,0,0,0,0|2,0,1]=4 603 B4R0.2 CCCCO 1P0031YY [1,0,0,0,0,0|1,0,2]=4 604 B4R0.2 CCCCO 1P003373 [1,0,0,0,0,0|1,0,2]=4 605 B4R0.2 CCCCO 1P003ODP [1,0,0,0,0,0|1,0,2]=4 606 B4R0.2 CCCCO 1P00DALZ [1,0,0,0,0,0|1,0,2]=4 607 B4R0.2 CCCCS 1P003EMK [1,0,0,0,0,0|1,1,1]=4 608 B4R0.2 CCCNC 1P0035V8 [1,0,0,0,0,0|1,0,1]=3 609 B4R0.2 CCCNC 1P01A86A [1,0,0,0,0,0|1,0,1]=3 610 B4R0.2 CCCNN 1P003A6G [1,0,0,0,0,0|2,0,1]=4 611 B4R0.2 CCCNN 1P00ICJV [1,0,0,0,0,0|2,0,1]=4 612 B4R0.2 CCCNO 1P004MB5 [1,0,0,0,0,0|2,0,1]=4 613 B4R0.2 CCCON 1P00EAUE [1,0,0,0,0,0|1,1,1]=4 614 B4R0.2 CCC[Mg]Br 1P003UGU [1,0,0,0,0,0|2,0,1]=4 615 B4R0.2 CCN=C=O 1P0038SX [1,0,0,0,0,0|2,0,1]=4 616 B4R0.2 CCNC=O 1P003TGY [1,0,0,0,0,0|2,0,0]=3 617 B4R0.2 CCNCC 1P002JES [1,0,0,0,0,0|2,0,1]=4 618 B4R0.2 CCNCC 1P0038PN [1,0,0,0,0,0|2,0,1]=4 619 B4R0.2 CCNCC 1P003PYC [1,0,0,0,0,0|2,0,1]=4 620 B4R0.2 CCNOC 1P01ACC5 [1,0,0,0,0,0|1,1,1]=4 621 B4R0.2 CCOC=N 1P001XGZ [1,0,0,0,0,0|3,0,0]=4 622 B4R0.2 CCOC=O 1P0035CU [1,0,0,0,0,0|2,0,0]=3 623 B4R0.2 CCOCC 1P0035KW [1,0,0,0,0,0|2,0,1]=4 624 B4R0.2 CCOCC 1P0036C5 [1,0,0,0,0,0|2,0,1]=4 625 B4R0.2 CCONC 1P01AGN1 [1,0,0,0,0,0|2,0,1]=4 626 B4R0.2 CCSCC 1P003DQ3 [1,0,0,0,0,0|2,0,1]=4 627 B4R0.2 CCSCC 1P003PGO [1,0,0,0,0,0|2,0,1]=4 628 B4R0.2 CC[NH2+]CC 1P002BW6 [1,0,0,0,0,0|2,0,1]=4 629 B4R0.2 CC\C=C/Br 1P007IN8 [1,0,0,0,0,0|2,0,1]=4 630 B4R0.2 CNCC#C 1P0035V7 [1,0,0,0,0,0|1,0,2]=4 631 B4R0.2 CNCC#N 1P003SK1 [1,0,0,0,0,0|2,0,1]=4 632 B4R0.2 CNCC#N 1P003SK2 [1,0,0,0,0,0|2,0,1]=4 633 B4R0.2 CNCC=C 1P003T6C [1,0,0,0,0,0|1,0,1]=3 634 B4R0.2 CNCCBr 1P00C7EM [1,0,0,0,0,0|2,0,1]=4 635 B4R0.2 CNCCCl 1P00DBZD [1,0,0,0,0,0|2,0,1]=4 636 B4R0.2 CNCCF 1P003B2E [1,0,0,0,0,0|2,0,1]=4 637 B4R0.2 CNCCI 1P00I42L [1,0,0,0,0,0|2,0,1]=4 638 B4R0.2 CNCCN 1P0035V2 [1,0,0,0,0,0|2,0,1]=4 639 B4R0.2 CNCCO 1P0033CC [1,0,0,0,0,0|1,0,2]=4 640 B4R0.2 CNCCO 1P0037NV [1,0,0,0,0,0|1,0,2]=4 641 B4R0.2 CNCCS 1P01B8TO [1,0,0,0,0,0|1,1,1]=4 642 B4R0.2 COCC#C 1P003SIX [1,0,0,0,0,0|0,1,2]=4 643 B4R0.2 COCC#N 1P001ZNX [1,0,0,0,0,0|1,1,1]=4 644 B4R0.2 COCC=C 1P0034WM [1,0,0,0,0,0|0,1,1]=3 645 B4R0.2 COCCBr 1P003365 [1,0,0,0,0,0|1,1,1]=4 646 B4R0.2 COCCCl 1P003HJ2 [1,0,0,0,0,0|1,1,1]=4 647 B4R0.2 COCCI 1P00396M [1,0,0,0,0,0|1,1,1]=4 648 B4R0.2 COCCN 1P0033UD [1,0,0,0,0,0|1,1,1]=4 649 B4R0.2 COCCO 1P0033UA [1,0,0,0,0,0|0,1,2]=4 650 B4R0.2 COCCS 1P0085Z0 [1,0,0,0,0,0|0,2,1]=4 651 B4R0.2 COCON 1P028BZ6 [1,0,0,0,0,0|2,1,0]=4 652 B4R0.2 CO[Ca]OC 1P003P4V [1,0,0,0,0,0|2,1,0]=4 653 B4R0.2 CO\C=C\C 1P00FAME [1,0,0,0,0,0|0,1,1]=3 654 B4R0.2 CSC#CC 1P028LFL [1,0,0,0,0,0|0,0,2]=3 655 B4R0.2 CSC=CC 1P00056G [1,0,0,0,0,0|0,0,1]=2 656 B4R0.2 CSCC#C 1P01AG9K [1,0,0,0,0,0|0,0,2]=3 657 B4R0.2 CSCC#N 1P003CI9 [1,0,0,0,0,0|1,0,1]=3 658 B4R0.2 CSCC=C 1P00056H [1,0,0,0,0,0|0,0,1]=2 659 B4R0.2 CSCCBr 1P0036CM [1,0,0,0,0,0|1,0,1]=3 660 B4R0.2 CSCCCl 1P0033PZ [1,0,0,0,0,0|1,0,1]=3 661 B4R0.2 CSCCN 1P003FKA [1,0,0,0,0,0|1,0,1]=3 662 B4R0.2 CSCCN 1P005LMK [1,0,0,0,0,0|1,0,1]=3 663 B4R0.2 CSCCO 1P0032PC [1,0,0,0,0,0|0,0,2]=3 664 B4R0.2 CSCCS 1P0285H6 [1,0,0,0,0,0|0,1,1]=3 665 B4R0.2 CSCSC 1P001WDT [1,0,0,0,0,0|1,0,0]=2 666 B4R0.2 CSSSC 1P003Q3I [1,0,0,0,0,0|2,0,0]=3 667 B4R0.2 C\C=C/C=C 1P001PWM [1,0,0,0,0,0|1,0,2]=4 668 B4R0.2 C\C=C\CCl 1P003378 [1,0,0,0,0,0|2,0,1]=4 669 B4R0.2 C\C=C\CN 1P01EMOF [1,0,0,0,0,0|2,0,1]=4 670 B4R0.2 C\C=C\CO 1P00DA5X [1,0,0,0,0,0|2,0,1]=4 671 B4R0.2 ClCCC=C 1P0061AK [1,0,0,0,0,0|2,0,1]=4 672 B4R0.2 Cl[Mg]CC=C 1P002SSD [1,0,0,0,0,0|2,0,1]=4 673 B4R0.2 Cl[Pd]CC=C 1P0034WP [1,0,0,0,0,0|2,0,1]=4 674 B4R0.2 IC#CC=O 1P028Y6K [1,0,0,0,0,0|2,0,1]=4 675 B4R0.2 ICCC=C 1P005930 [1,0,0,0,0,0|2,0,1]=4 676 B4R0.2 NCCC=C 1P0026RD [1,0,0,0,0,0|2,0,1]=4 677 B4R0.2 NCCC=C 1P0240HB [1,0,0,0,0,0|2,0,1]=4 678 B4R0.2 NCCNC 1P003TOD [1,0,0,0,0,0|2,0,1]=4 679 B4R0.2 NNCC=C 1P00I9SX [1,0,0,0,0,0|2,0,1]=4 680 B4R0.2 NNCC=C 1P00ICJX [1,0,0,0,0,0|2,0,1]=4 681 B4R0.2 NOCC=C 1P0037QN [1,0,0,0,0,0|1,1,1]=4 682 B4R0.2 N\C=C\C=O 1P002WE0 [1,0,0,0,0,0|2,0,1]=4 683 B4R0.2 O=CNC=O 1P0023PT [1,0,0,0,0,0|3,0,0]=4 684 B4R0.2 OCCC=C 1P00343U [1,0,0,0,0,0|2,0,1]=4 685 B4R0.2 OCCC=O 1P0038NL [1,0,0,0,0,0|2,0,0]=3 686 B4R0.2 ONCC=C 1P0281KE [1,0,0,0,0,0|2,0,1]=4 687 B4R0.2 [2H]OCCC 1P024P0D [1,0,0,0,0,0|1,1,1]=4 688 B4R0.2 [C-]#[N+]CC=C 1P007L6R [1,0,0,0,0,0|1,0,2]=4 689 B4R0.2 [CH-]=COCC 1P003D67 [1,0,0,0,0,0|2,0,1]=4 690 B4R0.2 [O-]CCCC 1P007TPO [1,0,0,0,0,0|1,0,2]=4 691 B4R0.2 [O-]CCCC 1P00BEMT [1,0,0,0,0,0|1,0,2]=4 692 B4R0.2 [Pd+]C\C=C\C 1P003C2W [1,0,0,0,0,0|2,0,1]=4 693 B6R0.1 BrCCC(=O)CBr 1P028DVI [0,1,0,0,0,0|2,0,0]=3 694 B6R0.1 CC#CC(=O)NN 1P00DCQ9 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.1 CC#CC(=O)OC 1P002NCP [0,1,0,0,0,0|1,0,1]=3 696 B6R0.1 CC(=C=C)CCO 1P0022AB [0,1,0,0,0,0|3,0,0]=4 697 B6R0.1 CC(=CCC)C=O 1P003I2O [0,1,0,0,0,0|1,0,1]=3 698 B6R0.1 CC(=NO)OCC 1P008RN1 [0,1,0,0,0,0|2,0,1]=4 699 B6R0.1 CC(C#N)CNC 1P006W5W [0,1,0,0,0,0|2,0,1]=4 700 B6R0.1 CC(C#N)COC 1P00I6EL [0,1,0,0,0,0|1,1,1]=4 701 B6R0.1 CC(C=O)CCC 1P000KD7 [0,1,0,0,0,0|1,0,1]=3 702 B6R0.1 CC(C=O)OCC 1P01HX98 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.1 CC(CBr)COC 1P01BL3B [0,1,0,0,0,0|1,1,1]=4 704 B6R0.1 CC(CN)CNC 1P009GBP [0,1,0,0,0,0|2,0,1]=4 705 B6R0.1 CC(CN)COC 1P019YCQ [0,1,0,0,0,0|1,1,1]=4 706 B6R0.1 CC(CN)COC 1P01AG3X [0,1,0,0,0,0|1,1,1]=4 707 B6R0.1 CC(CN)CSC 1P01AI97 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.1 CC(CO)CNC 1P019SBY [0,1,0,0,0,0|1,0,2]=4 709 B6R0.1 CC(CO)COC 1P01ACWE [0,1,0,0,0,0|0,1,2]=4 710 B6R0.1 CC(CO)CSC 1P01AUUE [0,1,0,0,0,0|0,0,2]=3 711 B6R0.1 CC(CS)COC 1P028GFT [0,1,0,0,0,0|0,2,1]=4 712 B6R0.1 CC(NN)COC 1P01A5EG [0,1,0,0,0,0|1,1,1]=4 713 B6R0.1 CC=CC(=O)CC 1P002QI6 [0,1,0,0,0,0|1,0,1]=3 714 B6R0.1 CCC(=O)CC#N 1P003KBE [0,1,0,0,0,0|2,0,0]=3 715 B6R0.1 CCC(=O)N=C=S 1P01BUGN [0,1,0,0,0,0|3,0,0]=4 716 B6R0.1 CCC(=O)\C=C\Cl 1P00ELWV [0,1,0,0,0,0|2,0,1]=4 717 B6R0.1 CCCC(=N)NO 1P002UQT [0,1,0,0,0,0|2,0,1]=4 718 B6R0.1 CCCC(=O)C#C 1P006GC2 [0,1,0,0,0,0|1,0,1]=3 719 B6R0.1 CCCC(=O)C=C 1P001TZV [0,1,0,0,0,0|1,0,1]=3 720 B6R0.1 CCCC(=O)CBr 1P00517X [0,1,0,0,0,0|1,0,0]=2 721 B6R0.1 CCCC(=O)CC 1P003JZA [0,1,0,0,0,0|1,0,0]=2 722 B6R0.1 CCCC(=O)CCl 1P002GN5 [0,1,0,0,0,0|1,0,0]=2 723 B6R0.1 CCCC(=O)CN 1P01C2B2 [0,1,0,0,0,0|1,0,0]=2 724 B6R0.1 CCCC(=O)CO 1P00EZ0V [0,1,0,0,0,0|1,0,0]=2 725 B6R0.1 CCCC(=O)NN 1P00I7HO [0,1,0,0,0,0|2,0,0]=3 726 B6R0.1 CCCC(=O)NO 1P00D8ZA [0,1,0,0,0,0|2,0,0]=3 727 B6R0.1 CCCC(=O)OC 1P003SGE [0,1,0,0,0,0|1,0,0]=2 728 B6R0.1 CCCC(=S)OC 1P003SJF [0,1,0,0,0,0|1,1,0]=3 729 B6R0.1 CCCC(CC)Br 1P003JL2 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.1 CCCC(CC)C 1P003K83 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.1 CCCC(CC)Cl 1P002NSV [0,1,0,0,0,0|2,0,1]=4 732 B6R0.1 CCCC(CC)N 1P00G5JZ [0,1,0,0,0,0|2,0,1]=4 733 B6R0.1 CCCC(CC)O 1P003JZ9 [0,1,0,0,0,0|1,0,2]=4 734 B6R0.1 CCCC(CC)S 1P001UGW [0,1,0,0,0,0|1,1,1]=4 735 B6R0.1 CCCC(CCl)C 1P000YIZ [0,1,0,0,0,0|2,0,1]=4 736 B6R0.1 CCCC(CCl)Cl 1P001XTQ [0,1,0,0,0,0|2,0,1]=4 737 B6R0.1 CCCC(CCl)O 1P01A0X7 [0,1,0,0,0,0|1,0,2]=4 738 B6R0.1 CCCC(CN)C 1P028Y09 [0,1,0,0,0,0|2,0,1]=4 739 B6R0.1 CCCC(CN)N 1P019XKI [0,1,0,0,0,0|2,0,1]=4 740 B6R0.1 CCCC(CO)C 1P003I22 [0,1,0,0,0,0|1,0,2]=4 741 B6R0.1 CCCC(CO)Cl 1P01ANMN [0,1,0,0,0,0|2,0,1]=4 742 B6R0.1 CCCC(CO)N 1P001US0 [0,1,0,0,0,0|2,0,1]=4 743 B6R0.1 CCCC(CO)O 1P00IA05 [0,1,0,0,0,0|1,0,2]=4 744 B6R0.1 CCCC(CO)S 1P028AGF [0,1,0,0,0,0|1,1,1]=4 745 B6R0.1 CCCC(NC)C 1P019NHH [0,1,0,0,0,0|2,0,1]=4 746 B6R0.1 CCC[C@@H](CC)O 1P007MBP [0,1,0,0,0,0|1,0,2]=4 747 B6R0.1 CCC[C@@H](CO)N 1P006XCX [0,1,0,0,0,0|2,0,1]=4 748 B6R0.1 CCC[C@@H](CO)N 1P00IMEX [0,1,0,0,0,0|2,0,1]=4 749 B6R0.1 CCC[C@@H](CO)O 1P002XUM [0,1,0,0,0,0|1,0,2]=4 750 B6R0.1 CCC[C@H](CF)N 1P01DFM7 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.1 CCC[C@H](CO)N 1P003CKG [0,1,0,0,0,0|2,0,1]=4 752 B6R0.1 CCC[C@H](CO)O 1P00845B [0,1,0,0,0,0|1,0,2]=4 753 B6R0.1 CCC\C(=N\O)\N 1P00J2F4 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.1 CCN=C(NC)N 1P01FLFS [0,1,0,0,0,0|3,0,0]=4 755 B6R0.1 CCNC(=O)C#C 1P00C546 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.1 CCNC(=O)C=C 1P003TGQ [0,1,0,0,0,0|2,0,1]=4 757 B6R0.1 CCNC(=O)CBr 1P00DD4D [0,1,0,0,0,0|2,0,0]=3 758 B6R0.1 CCNC(=O)CC 1P003THF [0,1,0,0,0,0|2,0,0]=3 759 B6R0.1 CCNC(=O)CCl 1P007FBG [0,1,0,0,0,0|2,0,0]=3 760 B6R0.1 CCNC(=O)CI 1P01STA0 [0,1,0,0,0,0|2,0,0]=3 761 B6R0.1 CCNC(=O)CN 1P002U9F [0,1,0,0,0,0|2,0,0]=3 762 B6R0.1 CCNC(=O)CN 1P00EL26 [0,1,0,0,0,0|2,0,0]=3 763 B6R0.1 CCNC(=O)CO 1P00FI4I [0,1,0,0,0,0|2,0,0]=3 764 B6R0.1 CCNC(=O)NN 1P019Y9O [0,1,0,0,0,0|3,0,0]=4 765 B6R0.1 CCNC(=O)NO 1P00F05I [0,1,0,0,0,0|3,0,0]=4 766 B6R0.1 CCNC(=O)OC 1P00EDGM [0,1,0,0,0,0|2,0,0]=3 767 B6R0.1 CCOC(=N)CC 1P00CNWY [0,1,0,0,0,0|3,0,0]=4 768 B6R0.1 CCOC(=N)CCl 1P0037RI [0,1,0,0,0,0|3,0,0]=4 769 B6R0.1 CCOC(=O)C#C 1P0035DF [0,1,0,0,0,0|2,0,1]=4 770 B6R0.1 CCOC(=O)C#N 1P0035CN [0,1,0,0,0,0|2,0,1]=4 771 B6R0.1 CCOC(=O)C=C 1P001CEZ [0,1,0,0,0,0|2,0,1]=4 772 B6R0.1 CCOC(=O)C=O 1P0035CW [0,1,0,0,0,0|2,0,1]=4 773 B6R0.1 CCOC(=O)CC 1P003QXI [0,1,0,0,0,0|2,0,0]=3 774 B6R0.1 CCOC(=O)CCl 1P0035CO [0,1,0,0,0,0|2,0,0]=3 775 B6R0.1 CCOC(=O)CF 1P003QVO [0,1,0,0,0,0|2,0,0]=3 776 B6R0.1 CCOC(=O)CN 1P0035FP [0,1,0,0,0,0|2,0,0]=3 777 B6R0.1 CCOC(=O)CO 1P0035CV [0,1,0,0,0,0|2,0,0]=3 778 B6R0.1 CCOC(=O)CS 1P0035DK [0,1,0,0,0,0|2,0,0]=3 779 B6R0.1 CCOC(=O)NC 1P003TPD [0,1,0,0,0,0|2,0,0]=3 780 B6R0.1 CCOC(=O)NN 1P003P5R [0,1,0,0,0,0|3,0,0]=4 781 B6R0.1 CCOC(=O)NO 1P003TJA [0,1,0,0,0,0|3,0,0]=4 782 B6R0.1 CCOC(=O)OC 1P0035D4 [0,1,0,0,0,0|2,0,0]=3 783 B6R0.1 CCOS(=O)CC 1P006I98 [0,1,0,0,0,0|3,0,0]=4 784 B6R0.1 CCSC(=O)CC 1P003UPF [0,1,0,0,0,0|2,0,0]=3 785 B6R0.1 CCSC(=S)CC 1P01DXER [0,1,0,0,0,0|2,1,0]=4 786 B6R0.1 CCSC(=S)NC 1P01IBHI [0,1,0,0,0,0|2,1,0]=4 787 B6R0.1 CC\C=C(\C=O)/Br 1P028NP5 [0,1,0,0,0,0|2,0,1]=4 788 B6R0.1 CC\C=C(\CN)/C 1P02808A [0,1,0,0,0,0|2,0,1]=4 789 B6R0.1 CN(C=O)CCO 1P001RJU [0,1,0,0,0,0|3,0,0]=4 790 B6R0.1 CNC(=O)CC#N 1P00EAAK [0,1,0,0,0,0|2,0,0]=3 791 B6R0.1 CNC(=O)CCBr 1P01HIVF [0,1,0,0,0,0|2,0,0]=3 792 B6R0.1 CNC(=O)CCCl 1P00C8ZK [0,1,0,0,0,0|2,0,0]=3 793 B6R0.1 CNC(=O)CCN 1P00DNDQ [0,1,0,0,0,0|2,0,0]=3 794 B6R0.1 CNC(=O)CCO 1P00FDP7 [0,1,0,0,0,0|2,0,0]=3 795 B6R0.1 CNC(=O)CCS 1P003K33 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.1 CNCC(=O)NC 1P00DD1M [0,1,0,0,0,0|1,0,0]=2 797 B6R0.1 CNCC(=O)NC 1P019LMM [0,1,0,0,0,0|1,0,0]=2 798 B6R0.1 CNCC(=O)NN 1P01B76Z [0,1,0,0,0,0|2,0,0]=3 799 B6R0.1 CNCC(=O)OC 1P0038A2 [0,1,0,0,0,0|1,0,0]=2 800 B6R0.1 CNCC(CC)C 1P01AHGF [0,1,0,0,0,0|2,0,1]=4 801 B6R0.1 CNCC(CC)O 1P024V99 [0,1,0,0,0,0|1,0,2]=4 802 B6R0.1 CNCC(CF)O 1P01E0KU [0,1,0,0,0,0|1,0,2]=4 803 B6R0.1 CNCC(CN)O 1P01BCUO [0,1,0,0,0,0|1,0,2]=4 804 B6R0.1 CNCC(CO)O 1P003K75 [0,1,0,0,0,0|1,0,2]=4 805 B6R0.1 CNCC(OC)C 1P00GW3L [0,1,0,0,0,0|1,0,2]=4 806 B6R0.1 CNCC(SC)C 1P028WMN [0,1,0,0,0,0|1,1,1]=4 807 B6R0.1 CNC[C@@H](CC)O 1P028LOU [0,1,0,0,0,0|1,0,2]=4 808 B6R0.1 CNC[C@@H](OC)C 1P0281A1 [0,1,0,0,0,0|1,0,2]=4 809 B6R0.1 CNC[C@H](CC)O 1P0289AA [0,1,0,0,0,0|1,0,2]=4 810 B6R0.1 CNC[C@H](CO)O 1P0251OY [0,1,0,0,0,0|1,0,2]=4 811 B6R0.1 CNC[C@H](OC)C 1P0280T4 [0,1,0,0,0,0|1,0,2]=4 812 B6R0.1 COC(=N)CC#N 1P0198TA [0,1,0,0,0,0|3,0,0]=4 813 B6R0.1 COC(=O)C#CBr 1P002OM5 [0,1,0,0,0,0|2,0,1]=4 814 B6R0.1 COC(=O)C#CI 1P01V7ML [0,1,0,0,0,0|2,0,1]=4 815 B6R0.1 COC(=O)CC#C 1P00C7E3 [0,1,0,0,0,0|1,0,1]=3 816 B6R0.1 COC(=O)CC#N 1P0035PC [0,1,0,0,0,0|2,0,0]=3 817 B6R0.1 COC(=O)CC=C 1P0035NF [0,1,0,0,0,0|1,0,1]=3 818 B6R0.1 COC(=O)CCBr 1P0035ND [0,1,0,0,0,0|2,0,0]=3 819 B6R0.1 COC(=O)CCCl 1P00IB3U [0,1,0,0,0,0|2,0,0]=3 820 B6R0.1 COC(=O)CCI 1P00DZG9 [0,1,0,0,0,0|2,0,0]=3 821 B6R0.1 COC(=O)CCN 1P0036NT [0,1,0,0,0,0|2,0,0]=3 822 B6R0.1 COC(=O)CCO 1P003S96 [0,1,0,0,0,0|2,0,0]=3 823 B6R0.1 COC(=O)CCS 1P002YL6 [0,1,0,0,0,0|2,0,0]=3 824 B6R0.1 COC(=O)CNN 1P00CIKR [0,1,0,0,0,0|2,0,0]=3 825 B6R0.1 COC(=O)N=C=O 1P003SHC [0,1,0,0,0,0|3,0,0]=4 826 B6R0.1 COC(=O)NC=C 1P007K95 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.1 COC(=O)OCCl 1P003A07 [0,1,0,0,0,0|3,0,0]=4 828 B6R0.1 COC(=O)OCI 1P01H9XC [0,1,0,0,0,0|3,0,0]=4 829 B6R0.1 COC(=O)\C=C/Br 1P00F3VJ [0,1,0,0,0,0|2,0,1]=4 830 B6R0.1 COC(=O)\C=C/Cl 1P01HV7Q [0,1,0,0,0,0|2,0,1]=4 831 B6R0.1 COC(=O)\C=C/I 1P00EJS3 [0,1,0,0,0,0|2,0,1]=4 832 B6R0.1 COC(=O)\C=C\I 1P00EDEA [0,1,0,0,0,0|2,0,1]=4 833 B6R0.1 COCC(=N)NC 1P01BSDZ [0,1,0,0,0,0|1,1,0]=3 834 B6R0.1 COCC(=N)NO 1P005SV2 [0,1,0,0,0,0|1,1,1]=4 835 B6R0.1 COCC(=O)C=C 1P00DJR2 [0,1,0,0,0,0|0,1,1]=3 836 B6R0.1 COCC(=O)CC 1P01AK1L [0,1,0,0,0,0|0,1,0]=2 837 B6R0.1 COCC(=O)NC 1P01C60K [0,1,0,0,0,0|0,1,0]=2 838 B6R0.1 COCC(=O)NN 1P002AZ3 [0,1,0,0,0,0|1,1,0]=3 839 B6R0.1 COCC(=O)OC 1P00391Q [0,1,0,0,0,0|0,1,0]=2 840 B6R0.1 COCC(CBr)O 1P028WWM [0,1,0,0,0,0|0,1,2]=4 841 B6R0.1 COCC(CC)Br 1P01DWQ5 [0,1,0,0,0,0|1,1,1]=4 842 B6R0.1 COCC(CC)N 1P003GSV [0,1,0,0,0,0|1,1,1]=4 843 B6R0.1 COCC(CC)O 1P003EX7 [0,1,0,0,0,0|0,1,2]=4 844 B6R0.1 COCC(CC)S 1P0291KA [0,1,0,0,0,0|0,2,1]=4 845 B6R0.1 COCC(CCl)O 1P003EOM [0,1,0,0,0,0|0,1,2]=4 846 B6R0.1 COCC(CF)O 1P00CALG [0,1,0,0,0,0|0,1,2]=4 847 B6R0.1 COCC(CN)F 1P01APJ4 [0,1,0,0,0,0|1,1,1]=4 848 B6R0.1 COCC(CN)N 1P00067R [0,1,0,0,0,0|1,1,1]=4 849 B6R0.1 COCC(CN)O 1P00GW2U [0,1,0,0,0,0|0,1,2]=4 850 B6R0.1 COCC(CO)N 1P00BCT2 [0,1,0,0,0,0|1,1,1]=4 851 B6R0.1 COCC(CO)N 1P01BH5E [0,1,0,0,0,0|1,1,1]=4 852 B6R0.1 COCC(CO)O 1P003K35 [0,1,0,0,0,0|0,1,2]=4 853 B6R0.1 COC[C@@H](CC)N 1P00FGX9 [0,1,0,0,0,0|1,1,1]=4 854 B6R0.1 COC[C@@H](CF)N 1P028KEA [0,1,0,0,0,0|1,1,1]=4 855 B6R0.1 COC[C@@H](CF)O 1P028KDZ [0,1,0,0,0,0|0,1,2]=4 856 B6R0.1 COC[C@@H](CN)O 1P01B9RG [0,1,0,0,0,0|0,1,2]=4 857 B6R0.1 COC[C@@H](CO)O 1P0290HJ [0,1,0,0,0,0|0,1,2]=4 858 B6R0.1 COC[C@@H](NC)C 1P028QST [0,1,0,0,0,0|1,1,1]=4 859 B6R0.1 COC[C@H](CC)N 1P00FGXE [0,1,0,0,0,0|1,1,1]=4 860 B6R0.1 COC[C@H](CF)N 1P028LTW [0,1,0,0,0,0|1,1,1]=4 861 B6R0.1 COC[C@H](CF)O 1P028JQY [0,1,0,0,0,0|0,1,2]=4 862 B6R0.1 COC[C@H](CN)O 1P01B9RH [0,1,0,0,0,0|0,1,2]=4 863 B6R0.1 COC[C@H](CN)O 1P01EMR9 [0,1,0,0,0,0|0,1,2]=4 864 B6R0.1 COC[C@H](CO)N 1P001G1J [0,1,0,0,0,0|1,1,1]=4 865 B6R0.1 COC[C@H](CO)O 1P005I6I [0,1,0,0,0,0|0,1,2]=4 866 B6R0.1 COC\C(=N\O)\N 1P00J307 [0,1,0,0,0,0|1,1,1]=4 867 B6R0.1 CONC(=O)CCl 1P00787P [0,1,0,0,0,0|1,1,0]=3 868 B6R0.1 CONC(=O)CN 1P01A0TE [0,1,0,0,0,0|1,1,0]=3 869 B6R0.1 CONC(=O)OC 1P01JKMP [0,1,0,0,0,0|1,1,0]=3 870 B6R0.1 CSCC(=O)CC 1P0012TN [0,1,0,0,0,0|0,0,0]=1 871 B6R0.1 CSCC(=O)NN 1P01A3MA [0,1,0,0,0,0|1,0,0]=2 872 B6R0.1 CSCC(=O)OC 1P001X2T [0,1,0,0,0,0|0,0,0]=1 873 B6R0.1 CSCC(CC)N 1P01A52Y [0,1,0,0,0,0|1,0,1]=3 874 B6R0.1 CSCC(CC)O 1P005GLR [0,1,0,0,0,0|0,0,2]=3 875 B6R0.1 CSCC(CO)O 1P00BGAN [0,1,0,0,0,0|0,0,2]=3 876 B6R0.1 CSCC(CO)S 1P028JTH [0,1,0,0,0,0|0,1,1]=3 877 B6R0.1 CSCC(NC)C 1P018SCY [0,1,0,0,0,0|1,0,1]=3 878 B6R0.1 CSC[C@@H](CN)O 1P027X79 [0,1,0,0,0,0|0,0,2]=3 879 B6R0.1 CSC[C@@H](CO)N 1P028W67 [0,1,0,0,0,0|1,0,1]=3 880 B6R0.1 CSC[C@H](CN)O 1P0280WA [0,1,0,0,0,0|0,0,2]=3 881 B6R0.1 CSC[C@H](CO)N 1P004DS3 [0,1,0,0,0,0|1,0,1]=3 882 B6R0.1 CSC\C(=N\O)\N 1P008VZY [0,1,0,0,0,0|1,0,1]=3 883 B6R0.1 C[C@@H](CO)CNC 1P027V9N [0,1,0,0,0,0|1,0,2]=4 884 B6R0.1 C[C@H](CO)CNC 1P02931Y [0,1,0,0,0,0|1,0,2]=4 885 B6R0.1 C\C=C\C(=O)CC 1P00DT54 [0,1,0,0,0,0|1,0,1]=3 886 B6R0.1 C\C=C\C(=O)OC 1P0037GY [0,1,0,0,0,0|1,0,1]=3 887 B6R0.1 ClCC(=C)CC#N 1P01BKW0 [0,1,0,0,0,0|3,0,0]=4 888 B6R0.1 ClCCC(=O)CCl 1P001XMP [0,1,0,0,0,0|2,0,0]=3 889 B6R0.1 ClCCS(=O)CC 1P01HOTP [0,1,0,0,0,0|3,0,0]=4 890 B6R0.1 ClCOC(=O)CC 1P01BUDC [0,1,0,0,0,0|3,0,0]=4 891 B6R0.1 ClCOC(=O)CCl 1P01C2T3 [0,1,0,0,0,0|3,0,0]=4 892 B6R0.1 Cl\C=C\C(=O)CCl 1P00FBQW [0,1,0,0,0,0|2,0,1]=4 893 B6R0.1 NCCC(=C)CO 1P01BKU7 [0,1,0,0,0,0|3,0,0]=4 894 B6R0.1 NCCC(=C)CO 1P028SA0 [0,1,0,0,0,0|3,0,0]=4 895 B6R0.1 NCCC(=O)CBr 1P028BQ9 [0,1,0,0,0,0|2,0,0]=3 896 B6R0.1 NCCC(=O)CC 1P028D82 [0,1,0,0,0,0|2,0,0]=3 897 B6R0.1 NCCC(=O)NN 1P028BFD [0,1,0,0,0,0|3,0,0]=4 898 B6R0.1 NCCC(=O)NO 1P01BE4B [0,1,0,0,0,0|3,0,0]=4 899 B6R0.1 NCCS(=O)CC 1P018HD6 [0,1,0,0,0,0|3,0,0]=4 900 B6R0.1 NNC(=O)CC#N 1P00353S [0,1,0,0,0,0|3,0,0]=4 901 B6R0.1 NNC(=O)CCO 1P002OWU [0,1,0,0,0,0|3,0,0]=4 902 B6R0.1 NNC(=O)CCS 1P005NOM [0,1,0,0,0,0|3,0,0]=4 903 B6R0.1 NNCC(=O)NC 1P0248YV [0,1,0,0,0,0|2,0,0]=3 904 B6R0.1 NOCC(=O)OC 1P01DHWQ [0,1,0,0,0,0|1,1,0]=3 905 B6R0.1 OCCC(=C)CC 1P007UQT [0,1,0,0,0,0|3,0,0]=4 906 B6R0.1 OCNC(=O)CCl 1P003TP1 [0,1,0,0,0,0|3,0,0]=4 907 B6R0.1 ONC(=O)CCCl 1P01BE4Y [0,1,0,0,0,0|3,0,0]=4 908 B6R0.1 SCCC(=O)CC 1P01BV4A [0,1,0,0,0,0|2,0,0]=3 909 B6R0.1 [C-]#[N+]CC(=O)OC 1P003SHD [0,1,0,0,0,0|1,0,1]=3 910 B6R0.1 [N-]=[N+]=CC(=O)CC 1P01RL9O [0,1,0,0,0,0|2,0,1]=4 911 B6R0.1 [O-]\C=C\C(=O)OC 1P02860F [0,1,0,0,0,0|2,0,1]=4 912 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [0,1,0,0,0,0|2,0,1]=4 913 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [0,1,0,0,0,0|1,0,0]=2 914 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [0,1,0,0,0,0|2,0,0]=3 915 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [0,1,0,0,0,0|2,0,0]=3 916 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [0,1,0,0,0,0|1,0,1]=3 917 B6R0.2 CC(=CC(=O)C)O 1P001CNO [0,1,0,0,0,0|1,0,1]=3 918 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [0,1,0,0,0,0|2,0,1]=4 919 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,1,0,0,0,0|2,0,1]=4 920 B6R0.2 CC(=CC(=O)O)C 1P0033YA [0,1,0,0,0,0|2,0,1]=4 921 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [0,1,0,0,0,0|2,0,1]=4 922 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [0,1,0,0,0,0|2,0,1]=4 923 B6R0.2 CC(=CC(O)C)C 1P0074MI [0,1,0,0,0,0|2,0,1]=4 924 B6R0.2 CC(=O)C=[N+]([O-])[O-] 1P01DZ2J [0,1,0,0,0,0|2,0,1]=4 925 B6R0.2 CC(=O)CC(=O)C 1P000KDQ [0,1,0,0,0,0|1,0,0]=2 926 B6R0.2 CC(=O)CC(=O)C 1P003VUE [0,1,0,0,0,0|1,0,0]=2 927 B6R0.2 CC(=O)CC(=O)N 1P0034W3 [0,1,0,0,0,0|2,0,0]=3 928 B6R0.2 CC(=O)NC(=O)C 1P00355U [0,1,0,0,0,0|2,0,0]=3 929 B6R0.2 CC(=O)NC(=O)N 1P003O4P [0,1,0,0,0,0|3,0,0]=4 930 B6R0.2 CC(=O)NC(=S)N 1P00E9ZO [0,1,0,0,0,0|3,0,0]=4 931 B6R0.2 CC(=O)SC(=O)C 1P003O4E [0,1,0,0,0,0|2,0,0]=3 932 B6R0.2 CC(=O)[C-]C(=O)C 1P00236S [0,1,0,0,0,0|1,0,1]=3 933 B6R0.2 CC(=O)[CH-]C(=O)C 1P0016VZ [0,1,0,0,0,0|1,0,1]=3 934 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OFD [0,1,0,0,0,0|1,0,1]=3 935 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OGH [0,1,0,0,0,0|1,0,1]=3 936 B6R0.2 CC(=O)[CH-]C(=O)C 1P003UNO [0,1,0,0,0,0|1,0,1]=3 937 B6R0.2 CC(=O)[CH-]C(=O)C 1P00AQOO [0,1,0,0,0,0|1,0,1]=3 938 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HU8W [0,1,0,0,0,0|1,0,1]=3 939 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HW92 [0,1,0,0,0,0|1,0,1]=3 940 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HYD8 [0,1,0,0,0,0|1,0,1]=3 941 B6R0.2 CC(=O)[CH-]C(=O)C 1P00IKXP [0,1,0,0,0,0|1,0,1]=3 942 B6R0.2 CC(C=C(C)C)C 1P003GAP [0,1,0,0,0,0|2,0,1]=4 943 B6R0.2 CC(CC(=C)Br)C 1P0279S8 [0,1,0,0,0,0|2,0,1]=4 944 B6R0.2 CC(CC(=C)C)C 1P003GAN [0,1,0,0,0,0|2,0,0]=3 945 B6R0.2 CC(CC(=N)N)C 1P00EK2S [0,1,0,0,0,0|3,0,0]=4 946 B6R0.2 CC(CC(=O)C)N 1P00J23J [0,1,0,0,0,0|1,0,0]=2 947 B6R0.2 CC(CC(=O)C)O 1P00723Y [0,1,0,0,0,0|1,0,0]=2 948 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [0,1,0,0,0,0|2,0,0]=3 949 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [0,1,0,0,0,0|2,0,0]=3 950 B6R0.2 CC(CC(=O)F)C 1P01B7CV [0,1,0,0,0,0|2,0,0]=3 951 B6R0.2 CC(CC(=O)N)C 1P003RMF [0,1,0,0,0,0|2,0,0]=3 952 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [0,1,0,0,0,0|2,0,0]=3 953 B6R0.2 CC(CC(=O)N)N 1P01C1RK [0,1,0,0,0,0|2,0,0]=3 954 B6R0.2 CC(CC(=O)N)O 1P007O9T [0,1,0,0,0,0|2,0,0]=3 955 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [0,1,0,0,0,0|2,0,0]=3 956 B6R0.2 CC(CC(=O)O)C 1P003RMG [0,1,0,0,0,0|2,0,0]=3 957 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [0,1,0,0,0,0|2,0,0]=3 958 B6R0.2 CC(CC(=O)O)F 1P028OF4 [0,1,0,0,0,0|2,0,0]=3 959 B6R0.2 CC(CC(=O)O)N 1P003JE2 [0,1,0,0,0,0|2,0,0]=3 960 B6R0.2 CC(CC(=O)O)O 1P003K12 [0,1,0,0,0,0|2,0,0]=3 961 B6R0.2 CC(CC(=O)O)S 1P002TTH [0,1,0,0,0,0|2,0,0]=3 962 B6R0.2 CC(CC(=S)N)C 1P00AR7D [0,1,0,0,0,0|2,1,0]=4 963 B6R0.2 CC(CC(Br)C)Br 1P003G6L [0,1,0,0,0,0|2,0,1]=4 964 B6R0.2 CC(CC(Br)C)C 1P003032 [0,1,0,0,0,0|2,0,1]=4 965 B6R0.2 CC(CC(I)C)C 1P01ANJA [0,1,0,0,0,0|2,0,1]=4 966 B6R0.2 CC(CC(N)C)C 1P00FBMB [0,1,0,0,0,0|2,0,1]=4 967 B6R0.2 CC(CC(N)C)N 1P01INJP [0,1,0,0,0,0|2,0,1]=4 968 B6R0.2 CC(CC(N)C)N 1P0287MU [0,1,0,0,0,0|2,0,1]=4 969 B6R0.2 CC(CC(O)C)C 1P0038GQ [0,1,0,0,0,0|1,0,2]=4 970 B6R0.2 CC(CC(O)C)N 1P0014XP [0,1,0,0,0,0|1,0,2]=4 971 B6R0.2 CC(CC(O)C)O 1P003GCB [0,1,0,0,0,0|1,0,2]=4 972 B6R0.2 CC(CS(=O)C)N 1P01A734 [0,1,0,0,0,0|2,0,0]=3 973 B6R0.2 CC(CS(=O)C)O 1P02879G [0,1,0,0,0,0|2,0,0]=3 974 B6R0.2 CC(CS(=O)Cl)C 1P01C9KJ [0,1,0,0,0,0|3,0,0]=4 975 B6R0.2 CC(CS(=O)[O-])C 1P01BCHN [0,1,0,0,0,0|3,0,0]=4 976 B6R0.2 CC(C[C@@H](N)C)C 1P01EIIX [0,1,0,0,0,0|2,0,1]=4 977 B6R0.2 CC(C[C@@H](N)C)C 1P02898S [0,1,0,0,0,0|2,0,1]=4 978 B6R0.2 CC(C[C@@H](O)C)C 1P001LS9 [0,1,0,0,0,0|1,0,2]=4 979 B6R0.2 CC(C[C@H](N)C)C 1P01EIHB [0,1,0,0,0,0|2,0,1]=4 980 B6R0.2 CC(C[C@H](O)C)C 1P001V2I [0,1,0,0,0,0|1,0,2]=4 981 B6R0.2 CC(C[N+](=O)[O-])C 1P00F3HC [0,1,0,0,0,0|3,0,0]=4 982 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [0,1,0,0,0,0|3,0,0]=4 983 B6R0.2 CC(NC(=O)C)C 1P0084JZ [0,1,0,0,0,0|2,0,0]=3 984 B6R0.2 CC(NC(=O)Cl)C 1P01B38E [0,1,0,0,0,0|3,0,0]=4 985 B6R0.2 CC(NC(=O)N)C 1P005LHL [0,1,0,0,0,0|3,0,0]=4 986 B6R0.2 CC(NC(=S)C)C 1P01A5JR [0,1,0,0,0,0|2,1,0]=4 987 B6R0.2 CC(OC(=O)C)Br 1P00336T [0,1,0,0,0,0|2,0,0]=3 988 B6R0.2 CC(OC(=O)C)C 1P0036E9 [0,1,0,0,0,0|2,0,0]=3 989 B6R0.2 CC(OC(=O)C)Cl 1P00EN9H [0,1,0,0,0,0|2,0,0]=3 990 B6R0.2 CC(OC(=O)Cl)Cl 1P003528 [0,1,0,0,0,0|3,0,0]=4 991 B6R0.2 CC(OC(=O)N)C 1P00209N [0,1,0,0,0,0|3,0,0]=4 992 B6R0.2 CC(SC(=O)Cl)C 1P001A85 [0,1,0,0,0,0|3,0,0]=4 993 B6R0.2 CN(CC(=N)N)C 1P019YB1 [0,1,0,0,0,0|3,0,0]=4 994 B6R0.2 CN(CC(=N)N)C 1P0281FI [0,1,0,0,0,0|3,0,0]=4 995 B6R0.2 CN(CC(=O)C)C 1P003DJS [0,1,0,0,0,0|1,0,0]=2 996 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [0,1,0,0,0,0|2,0,0]=3 997 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [0,1,0,0,0,0|2,0,0]=3 998 B6R0.2 CN(CC(=O)O)C 1P002QBC [0,1,0,0,0,0|2,0,0]=3 999 B6R0.2 CN(CC(=O)O)C 1P003T1T [0,1,0,0,0,0|2,0,0]=3 1000 B6R0.2 CN(CC(=S)N)C 1P00I5NF [0,1,0,0,0,0|2,1,0]=4 1001 B6R0.2 CN(CC(=S)N)C 1P01AANC [0,1,0,0,0,0|2,1,0]=4 1002 B6R0.2 CN(CC(Cl)C)C 1P0033R0 [0,1,0,0,0,0|2,0,1]=4 1003 B6R0.2 CN(CC(N)C)C 1P00G836 [0,1,0,0,0,0|2,0,1]=4 1004 B6R0.2 CN(CC(O)C)C 1P0037R9 [0,1,0,0,0,0|1,0,2]=4 1005 B6R0.2 CN(CC(O)C)C 1P003BI9 [0,1,0,0,0,0|1,0,2]=4 1006 B6R0.2 CN(C[C@@H](N)C)C 1P01AL6X [0,1,0,0,0,0|2,0,1]=4 1007 B6R0.2 CN(C[C@@H](N)C)C 1P01BBNK [0,1,0,0,0,0|2,0,1]=4 1008 B6R0.2 CN(C[C@@H](O)C)C 1P0036OS [0,1,0,0,0,0|1,0,2]=4 1009 B6R0.2 CN(C[C@H](N)C)C 1P00CL9K [0,1,0,0,0,0|2,0,1]=4 1010 B6R0.2 CN(C[C@H](N)C)C 1P01JKRO [0,1,0,0,0,0|2,0,1]=4 1011 B6R0.2 CN(C[C@H](O)C)C 1P00DLJ4 [0,1,0,0,0,0|1,0,2]=4 1012 B6R0.2 CP(CP(C)C)C 1P003ORG [0,1,0,0,0,0|3,0,0]=4 1013 B6R0.2 CS(=O)CC(=O)N 1P028O27 [0,1,0,0,0,0|1,0,1]=3 1014 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [0,1,0,0,0,0|2,0,0]=3 1015 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [0,1,0,0,0,0|2,0,0]=3 1016 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [0,1,0,0,0,0|2,0,0]=3 1017 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [0,1,0,0,0,0|2,0,0]=3 1018 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [0,1,0,0,0,0|2,0,0]=3 1019 B6R0.2 C[C@@H](C[C@@H](O)C)O 1P003C68 [0,1,0,0,0,0|1,0,2]=4 1020 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [0,1,0,0,0,0|2,0,0]=3 1021 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [0,1,0,0,0,0|2,0,0]=3 1022 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [0,1,0,0,0,0|2,0,0]=3 1023 B6R0.2 C[C@H](C[C@@H](O)C)N 1P0283G5 [0,1,0,0,0,0|1,0,2]=4 1024 B6R0.2 C[C@H](C[C@H](O)C)O 1P003C54 [0,1,0,0,0,0|1,0,2]=4 1025 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,1,0,0,0,0|1,0,1]=3 1026 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [0,1,0,0,0,0|1,0,1]=3 1027 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [0,1,0,0,0,0|2,0,1]=4 1028 B6R0.2 ClC(=CC(=O)C)Cl 1P01GJGU [0,1,0,0,0,0|2,0,1]=4 1029 B6R0.2 ClC(=O)CC(=O)Cl 1P001X31 [0,1,0,0,0,0|3,0,0]=4 1030 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [0,1,0,0,0,0|3,0,0]=4 1031 B6R0.2 FC(CC(=O)N)F 1P02856V [0,1,0,0,0,0|3,0,0]=4 1032 B6R0.2 FC(CC(=O)O)F 1P001O4C [0,1,0,0,0,0|3,0,0]=4 1033 B6R0.2 IC(=C)CC(=O)O 1P028XTD [0,1,0,0,0,0|2,0,1]=4 1034 B6R0.2 NC(=N)CC(=O)N 1P0035L1 [0,1,0,0,0,0|3,0,0]=4 1035 B6R0.2 NC(=N)NC(=O)C 1P0032OW [0,1,0,0,0,0|3,0,0]=4 1036 B6R0.2 NC(=O)CC(=O)N 1P0035L2 [0,1,0,0,0,0|3,0,0]=4 1037 B6R0.2 NC(=O)CC(=O)O 1P002NQP [0,1,0,0,0,0|3,0,0]=4 1038 B6R0.2 NC(=O)CC(=S)N 1P0066II [0,1,0,0,0,0|3,0,0]=4 1039 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [0,1,0,0,0,0|1,0,1]=3 1040 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [0,1,0,0,0,0|1,0,1]=3 1041 B6R0.2 [O-]C(=O)CC(=O)C 1P003B7E [0,1,0,0,0,0|2,0,0]=3 1042 B6R0.2 [O-]C(=O)CC(=O)C 1P003RRI [0,1,0,0,0,0|2,0,0]=3 1043 B6R0.2 [O-]C(=O)CC(=O)N 1P028GWT [0,1,0,0,0,0|3,0,0]=4 1044 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P000VMG [0,1,0,0,0,0|3,0,0]=4 1045 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P001G81 [0,1,0,0,0,0|3,0,0]=4 1046 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P002U04 [0,1,0,0,0,0|3,0,0]=4 1047 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [0,1,0,0,0,0|2,0,0]=3 1048 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [0,1,0,0,0,0|2,0,0]=3 1049 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [0,1,0,0,0,0|2,0,0]=3 1050 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [0,1,0,0,0,0|1,0,1]=3 1051 B6R0.2 [O-][N+](=O)CC(=O)C 1P0007M7 [0,1,0,0,0,0|2,0,0]=3 1052 B6R0.2 [O-][N+](=O)CC(=O)N 1P001CID [0,1,0,0,0,0|3,0,0]=4 1053 B6R0.2 [O-][N+](=O)CC(=O)N 1P01EB47 [0,1,0,0,0,0|3,0,0]=4 1054 B6R0.2 [O-][N+](=O)CC(O)C 1P01AM6O [0,1,0,0,0,0|3,0,0]=4 1055 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [0,1,0,0,0,0|1,0,1]=3 1056 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [0,1,0,0,0,0|1,0,1]=3 1057 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [0,1,0,0,0,0|1,0,1]=3 1058 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [0,1,0,0,0,0|1,0,1]=3 1059 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [0,1,0,0,0,0|1,0,1]=3 1060 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [0,1,0,0,0,0|1,0,1]=3 1061 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [0,1,0,0,0,0|1,0,1]=3 1062 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [0,1,0,0,0,0|1,0,1]=3 1063 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [0,1,0,0,0,0|1,0,1]=3 1064 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [0,1,0,0,0,0|1,0,1]=3 1065 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [0,1,0,0,0,0|1,0,1]=3 1066 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [0,1,0,0,0,0|1,0,1]=3 1067 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [0,1,0,0,0,0|1,0,1]=3 1068 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [0,1,0,0,0,0|1,0,1]=3 1069 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [0,1,0,0,0,0|1,0,1]=3 1070 B6R0.3 *C(C(=O)N)C* 1P00IM2A [0,1,0,0,0,0|3,0,0]=4 1071 B6R0.3 *C(C(=O)O)C* 1P00IGFS [0,1,0,0,0,0|3,0,0]=4 1072 B6R0.3 CC(=C)C(C#N)O 1P007P23 [0,1,0,0,0,0|3,0,0]=4 1073 B6R0.3 CC(=C)C(CO)Br 1P01A2R0 [0,1,0,0,0,0|3,0,0]=4 1074 B6R0.3 CC(=C)[C@@H](CO)N 1P027TTE [0,1,0,0,0,0|3,0,0]=4 1075 B6R0.3 CC(=CC)C(=O)O 1P0010JQ [0,1,0,0,0,0|2,0,1]=4 1076 B6R0.3 CC(=O)C(=O)CBr 1P00DFOD [0,1,0,0,0,0|2,0,1]=4 1077 B6R0.3 CC(=O)C(=O)CCl 1P00DLOO [0,1,0,0,0,0|2,0,1]=4 1078 B6R0.3 CC(=O)C(CO)O 1P01DWYU [0,1,0,0,0,0|2,0,0]=3 1079 B6R0.3 CC(C(=C)C)CBr 1P01IN35 [0,1,0,0,0,0|3,0,0]=4 1080 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [0,1,0,0,0,0|3,0,0]=4 1081 B6R0.3 CC(C(=N)N)CC 1P019XUO [0,1,0,0,0,0|3,0,0]=4 1082 B6R0.3 CC(C(=N)N)OC 1P019Z90 [0,1,0,0,0,0|2,1,0]=4 1083 B6R0.3 CC(C(=N)N)SC 1P0286CT [0,1,0,0,0,0|2,0,0]=3 1084 B6R0.3 CC(C(=O)C)C#N 1P00DEQK [0,1,0,0,0,0|2,0,0]=3 1085 B6R0.3 CC(C(=O)C)CO 1P003LYQ [0,1,0,0,0,0|2,0,0]=3 1086 B6R0.3 CC(C(=O)N)C#N 1P005SOR [0,1,0,0,0,0|3,0,0]=4 1087 B6R0.3 CC(C(=O)N)CC 1P0082Z0 [0,1,0,0,0,0|2,0,0]=3 1088 B6R0.3 CC(C(=O)N)NC 1P00C8TM [0,1,0,0,0,0|2,0,0]=3 1089 B6R0.3 CC(C(=O)N)NC 1P01A4VK [0,1,0,0,0,0|2,0,0]=3 1090 B6R0.3 CC(C(=O)N)OC 1P01AKMI [0,1,0,0,0,0|1,1,0]=3 1091 B6R0.3 CC(C(=O)N)SC 1P028ALZ [0,1,0,0,0,0|1,0,0]=2 1092 B6R0.3 CC(C(=O)O)C#N 1P00EBJM [0,1,0,0,0,0|3,0,0]=4 1093 B6R0.3 CC(C(=O)O)C=C 1P00DA69 [0,1,0,0,0,0|2,0,1]=4 1094 B6R0.3 CC(C(=O)O)CBr 1P00342O [0,1,0,0,0,0|3,0,0]=4 1095 B6R0.3 CC(C(=O)O)CC 1P000BT8 [0,1,0,0,0,0|2,0,0]=3 1096 B6R0.3 CC(C(=O)O)CF 1P01B7CT [0,1,0,0,0,0|3,0,0]=4 1097 B6R0.3 CC(C(=O)O)CN 1P001J7M [0,1,0,0,0,0|3,0,0]=4 1098 B6R0.3 CC(C(=O)O)CN 1P00381Y [0,1,0,0,0,0|3,0,0]=4 1099 B6R0.3 CC(C(=O)O)CN 1P00C2SB [0,1,0,0,0,0|3,0,0]=4 1100 B6R0.3 CC(C(=O)O)CS 1P002TTJ [0,1,0,0,0,0|3,0,0]=4 1101 B6R0.3 CC(C(=O)O)NC 1P003BEG [0,1,0,0,0,0|2,0,0]=3 1102 B6R0.3 CC(C(=O)O)NC 1P00CLMV [0,1,0,0,0,0|2,0,0]=3 1103 B6R0.3 CC(C(=O)O)OC 1P0037PR [0,1,0,0,0,0|1,1,0]=3 1104 B6R0.3 CC(C(=O)O)ON 1P003AZJ [0,1,0,0,0,0|2,1,0]=4 1105 B6R0.3 CC(C(=O)O)SC 1P00EEEC [0,1,0,0,0,0|1,0,0]=2 1106 B6R0.3 CC(C(=S)N)CC 1P01AD68 [0,1,0,0,0,0|2,1,0]=4 1107 B6R0.3 CC(C(=S)N)OC 1P019YTS [0,1,0,0,0,0|1,2,0]=4 1108 B6R0.3 CC(S(=O)C)CN 1P01A2LM [0,1,0,0,0,0|3,0,0]=4 1109 B6R0.3 CC(S(=O)Cl)CC 1P01C8L7 [0,1,0,0,0,0|3,0,0]=4 1110 B6R0.3 CC=C(C(=O)C)C 1P00EA6O [0,1,0,0,0,0|1,0,1]=3 1111 B6R0.3 CC=C(C(=O)O)Cl 1P01HMWU [0,1,0,0,0,0|2,0,1]=4 1112 B6R0.3 CCC(=C(C)C)C 1P008TP4 [0,1,0,0,0,0|2,0,1]=4 1113 B6R0.3 CCC(=C)C(=O)Cl 1P0073CG [0,1,0,0,0,0|2,0,1]=4 1114 B6R0.3 CCC(=C)C(=O)O 1P00CJ69 [0,1,0,0,0,0|2,0,1]=4 1115 B6R0.3 CCC(=O)C(=C)C 1P00CDIA [0,1,0,0,0,0|2,0,1]=4 1116 B6R0.3 CCC(=O)C(=O)O 1P003HYL [0,1,0,0,0,0|2,0,1]=4 1117 B6R0.3 CCC(C(=N)N)O 1P01BFO4 [0,1,0,0,0,0|3,0,0]=4 1118 B6R0.3 CCC(C(=O)Br)Br 1P002S1O [0,1,0,0,0,0|2,0,0]=3 1119 B6R0.3 CCC(C(=O)C)Br 1P008MK8 [0,1,0,0,0,0|1,0,0]=2 1120 B6R0.3 CCC(C(=O)C)C 1P0037NS [0,1,0,0,0,0|1,0,0]=2 1121 B6R0.3 CCC(C(=O)C)S 1P003K2Z [0,1,0,0,0,0|1,0,0]=2 1122 B6R0.3 CCC(C(=O)Cl)Br 1P007Q0D [0,1,0,0,0,0|2,0,0]=3 1123 B6R0.3 CCC(C(=O)Cl)Cl 1P003HIO [0,1,0,0,0,0|2,0,0]=3 1124 B6R0.3 CCC(C(=O)N)Br 1P00394S [0,1,0,0,0,0|2,0,0]=3 1125 B6R0.3 CCC(C(=O)N)Cl 1P003HIM [0,1,0,0,0,0|2,0,0]=3 1126 B6R0.3 CCC(C(=O)N)N 1P00DIK4 [0,1,0,0,0,0|2,0,0]=3 1127 B6R0.3 CCC(C(=O)N)N 1P01ALHP [0,1,0,0,0,0|2,0,0]=3 1128 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [0,1,0,0,0,0|2,0,0]=3 1129 B6R0.3 CCC(C(=O)O)Br 1P003720 [0,1,0,0,0,0|2,0,0]=3 1130 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [0,1,0,0,0,0|2,0,0]=3 1131 B6R0.3 CCC(C(=O)O)O 1P003Q9H [0,1,0,0,0,0|2,0,0]=3 1132 B6R0.3 CCC(C(=O)O)S 1P002TTI [0,1,0,0,0,0|2,0,0]=3 1133 B6R0.3 CCC(C(Br)C)C 1P01C37E [0,1,0,0,0,0|2,0,1]=4 1134 B6R0.3 CCC(C(C)C)C 1P003G15 [0,1,0,0,0,0|2,0,1]=4 1135 B6R0.3 CCC(C(C)C)Cl 1P028MON [0,1,0,0,0,0|2,0,1]=4 1136 B6R0.3 CCC(C(C)C)N 1P019XTU [0,1,0,0,0,0|2,0,1]=4 1137 B6R0.3 CCC(C(C)C)O 1P003I6Q [0,1,0,0,0,0|2,0,1]=4 1138 B6R0.3 CCC(C(Cl)C)C 1P01DTIT [0,1,0,0,0,0|2,0,1]=4 1139 B6R0.3 CCC(C(N)C)C 1P007CWD [0,1,0,0,0,0|2,0,1]=4 1140 B6R0.3 CCC(C(N)C)C 1P01AKCI [0,1,0,0,0,0|2,0,1]=4 1141 B6R0.3 CCC(C(N)C)O 1P01A9UN [0,1,0,0,0,0|2,0,1]=4 1142 B6R0.3 CCC(C(O)C)C 1P003K61 [0,1,0,0,0,0|1,0,2]=4 1143 B6R0.3 CCC(C(O)C)N 1P01AVCT [0,1,0,0,0,0|1,0,2]=4 1144 B6R0.3 CCC(C(O)C)O 1P00397E [0,1,0,0,0,0|1,0,2]=4 1145 B6R0.3 CCN(C(=O)C)C 1P00D490 [0,1,0,0,0,0|2,0,0]=3 1146 B6R0.3 CCN(C(=O)N)N 1P01DGMT [0,1,0,0,0,0|3,0,0]=4 1147 B6R0.3 CC[C@@H](C(=O)N)N 1P003RNL [0,1,0,0,0,0|2,0,0]=3 1148 B6R0.3 CC[C@@H](C(=O)N)N 1P00FCWE [0,1,0,0,0,0|2,0,0]=3 1149 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [0,1,0,0,0,0|2,0,0]=3 1150 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [0,1,0,0,0,0|2,0,0]=3 1151 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [0,1,0,0,0,0|2,0,0]=3 1152 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [0,1,0,0,0,0|2,0,0]=3 1153 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [0,1,0,0,0,0|2,0,0]=3 1154 B6R0.3 CC[C@@H](C(=[Se])O)N 1P004JBG [0,1,0,0,0,0|2,0,1]=4 1155 B6R0.3 CC[C@@H](C(C)C)N 1P01B2L1 [0,1,0,0,0,0|2,0,1]=4 1156 B6R0.3 CC[C@@H](C(C)C)O 1P01DX2T [0,1,0,0,0,0|2,0,1]=4 1157 B6R0.3 CC[C@@H]([C@@H](O)C)N 1P01XDIC [0,1,0,0,0,0|1,0,2]=4 1158 B6R0.3 CC[C@@H]([C@H](N)C)C 1P01FJYA [0,1,0,0,0,0|2,0,1]=4 1159 B6R0.3 CC[C@@H]([C@H](O)C)N 1P01EFZM [0,1,0,0,0,0|1,0,2]=4 1160 B6R0.3 CC[C@H](C(=O)N)N 1P0032U6 [0,1,0,0,0,0|2,0,0]=3 1161 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [0,1,0,0,0,0|2,0,0]=3 1162 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [0,1,0,0,0,0|2,0,0]=3 1163 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [0,1,0,0,0,0|2,0,0]=3 1164 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [0,1,0,0,0,0|2,0,0]=3 1165 B6R0.3 CC[C@H](C(C)C)N 1P01B2L3 [0,1,0,0,0,0|2,0,1]=4 1166 B6R0.3 CC[C@H](C(C)C)O 1P01DX0X [0,1,0,0,0,0|2,0,1]=4 1167 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01JUYU [0,1,0,0,0,0|1,0,2]=4 1168 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01K8CX [0,1,0,0,0,0|1,0,2]=4 1169 B6R0.3 CC[C@H]([C@H](O)C)N 1P00K8Q8 [0,1,0,0,0,0|1,0,2]=4 1170 B6R0.3 CC[C@H]([C@H](O)C)N 1P024U1N [0,1,0,0,0,0|1,0,2]=4 1171 B6R0.3 CN(C(=O)C)C=C 1P003TOY [0,1,0,0,0,0|2,0,1]=4 1172 B6R0.3 CN(C(=O)Cl)CC 1P003THC [0,1,0,0,0,0|3,0,0]=4 1173 B6R0.3 CN(C(=O)Cl)OC 1P002ZXO [0,1,0,0,0,0|2,1,0]=4 1174 B6R0.3 CNC(=O)C(=C)C 1P003TMG [0,1,0,0,0,0|2,0,1]=4 1175 B6R0.3 CNC(=O)C(=O)O 1P002YCG [0,1,0,0,0,0|2,0,1]=4 1176 B6R0.3 CNC(C(C)C)C 1P00C9CD [0,1,0,0,0,0|2,0,1]=4 1177 B6R0.3 CNC(C(C)C)C 1P019F0U [0,1,0,0,0,0|2,0,1]=4 1178 B6R0.3 COC(=C)C(=O)O 1P00D1D1 [0,1,0,0,0,0|1,1,1]=4 1179 B6R0.3 COC(=O)C(=C)C 1P003SHL [0,1,0,0,0,0|1,1,1]=4 1180 B6R0.3 COC(=O)C(=O)C 1P003SJ7 [0,1,0,0,0,0|0,1,1]=3 1181 B6R0.3 COC(=O)C(=O)Cl 1P003936 [0,1,0,0,0,0|1,1,1]=4 1182 B6R0.3 COC(=O)C(=O)O 1P00F3G0 [0,1,0,0,0,0|1,1,1]=4 1183 B6R0.3 COC(C(=O)C)C 1P01A0W5 [0,1,0,0,0,0|0,1,0]=2 1184 B6R0.3 COC(C(Br)C)C 1P01BYDF [0,1,0,0,0,0|1,1,1]=4 1185 B6R0.3 COC(C(N)C)C 1P01ALIL [0,1,0,0,0,0|1,1,1]=4 1186 B6R0.3 COC(C(O)C)C 1P00DK0D [0,1,0,0,0,0|0,1,2]=4 1187 B6R0.3 COC(C(S)C)C 1P0289S0 [0,1,0,0,0,0|0,2,1]=4 1188 B6R0.3 COC([C@@H](N)C)C 1P01B1OR [0,1,0,0,0,0|1,1,1]=4 1189 B6R0.3 COC([C@H](N)C)C 1P00AO5T [0,1,0,0,0,0|1,1,1]=4 1190 B6R0.3 CON(C(=O)C)C 1P0035UT [0,1,0,0,0,0|1,1,0]=3 1191 B6R0.3 CO[C@@H]([C@H](N)C)C 1P02870Y [0,1,0,0,0,0|1,1,1]=4 1192 B6R0.3 CO[C@H]([C@@H](N)C)C 1P028NAF [0,1,0,0,0,0|1,1,1]=4 1193 B6R0.3 CSC(=N)N(C)C 1P00FDVT [0,1,0,0,0,0|2,0,1]=4 1194 B6R0.3 CSC(=S)N(C)C 1P007AGO [0,1,0,0,0,0|2,0,1]=4 1195 B6R0.3 CSC(C(N)C)C 1P028FBV [0,1,0,0,0,0|1,0,1]=3 1196 B6R0.3 CSC(C(O)C)C 1P001W4K [0,1,0,0,0,0|0,0,2]=3 1197 B6R0.3 C[C@@H](C(=O)N)NC 1P00J3DG [0,1,0,0,0,0|2,0,0]=3 1198 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [0,1,0,0,0,0|2,0,0]=3 1199 B6R0.3 C[C@@H](C(=O)O)CN 1P00BI27 [0,1,0,0,0,0|3,0,0]=4 1200 B6R0.3 C[C@@H](C(=O)O)NC 1P00I86T [0,1,0,0,0,0|2,0,0]=3 1201 B6R0.3 C[C@@H](C(=O)O)OC 1P0039C4 [0,1,0,0,0,0|1,1,0]=3 1202 B6R0.3 C[C@@H](C(=O)O)ON 1P01XFJR [0,1,0,0,0,0|2,1,0]=4 1203 B6R0.3 C[C@@H](O)[C@@H](N)CC 1P01FWTF [0,1,0,0,0,0|1,0,2]=4 1204 B6R0.3 C[C@H](C(=O)N)NC 1P00J3CW [0,1,0,0,0,0|2,0,0]=3 1205 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [0,1,0,0,0,0|2,0,0]=3 1206 B6R0.3 C[C@H](C(=O)O)CN 1P00CJ9Y [0,1,0,0,0,0|3,0,0]=4 1207 B6R0.3 C[C@H](C(=O)O)CN 1P00H3B0 [0,1,0,0,0,0|3,0,0]=4 1208 B6R0.3 C[C@H](C(=O)O)NC 1P002YZ5 [0,1,0,0,0,0|2,0,0]=3 1209 B6R0.3 C[C@H](C(=O)O)OC 1P0032UO [0,1,0,0,0,0|1,1,0]=3 1210 B6R0.3 C[C@H](C(=O)O)ON 1P01XFIY [0,1,0,0,0,0|2,1,0]=4 1211 B6R0.3 C\C(=C/C)\C(=O)O 1P00365V [0,1,0,0,0,0|2,0,1]=4 1212 B6R0.3 C\C(=C\C)\C(=O)O 1P00EARA [0,1,0,0,0,0|2,0,1]=4 1213 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [0,1,0,0,0,0|2,0,1]=4 1214 B6R0.3 C\C=C(\C(=O)C)/C 1P027W3W [0,1,0,0,0,0|1,0,1]=3 1215 B6R0.3 ClC(=O)C(CBr)Br 1P002H1M [0,1,0,0,0,0|3,0,0]=4 1216 B6R0.3 ClCC(C(=O)Cl)Cl 1P005RZV [0,1,0,0,0,0|3,0,0]=4 1217 B6R0.3 NC(=O)C(C#N)Br 1P0082Z1 [0,1,0,0,0,0|3,0,0]=4 1218 B6R0.3 NC(=O)C(CBr)Br 1P001NI4 [0,1,0,0,0,0|3,0,0]=4 1219 B6R0.3 NC(=O)C(CCl)Cl 1P003FYF [0,1,0,0,0,0|3,0,0]=4 1220 B6R0.3 NC(C(=O)N)C#N 1P00649H [0,1,0,0,0,0|3,0,0]=4 1221 B6R0.3 NC(C(=O)N)CO 1P01B58Z [0,1,0,0,0,0|3,0,0]=4 1222 B6R0.3 NC(C(=O)N)CS 1P01DX7L [0,1,0,0,0,0|3,0,0]=4 1223 B6R0.3 NC(C(=O)O)C=C 1P003XPM [0,1,0,0,0,0|2,0,1]=4 1224 B6R0.3 NC(C(=O)O)CCl 1P00CA7T [0,1,0,0,0,0|3,0,0]=4 1225 B6R0.3 NC(C(=O)O)CF 1P00DGN8 [0,1,0,0,0,0|3,0,0]=4 1226 B6R0.3 NC(C(=O)O)CN 1P003943 [0,1,0,0,0,0|3,0,0]=4 1227 B6R0.3 NC(C(=O)O)CN 1P003FXC [0,1,0,0,0,0|3,0,0]=4 1228 B6R0.3 NC(C(=O)O)CS 1P0035K1 [0,1,0,0,0,0|3,0,0]=4 1229 B6R0.3 NC(C(=O)O)CS 1P003QAD [0,1,0,0,0,0|3,0,0]=4 1230 B6R0.3 NC(C(=O)O)CS 1P003QAE [0,1,0,0,0,0|3,0,0]=4 1231 B6R0.3 NC(C(=O)O)CS 1P006OTU [0,1,0,0,0,0|3,0,0]=4 1232 B6R0.3 NCC(C(=O)N)O 1P01BFL9 [0,1,0,0,0,0|3,0,0]=4 1233 B6R0.3 NCC(C(=O)O)F 1P003HSD [0,1,0,0,0,0|3,0,0]=4 1234 B6R0.3 NCC(C(=O)O)F 1P003Q9F [0,1,0,0,0,0|3,0,0]=4 1235 B6R0.3 NCC(C(=O)O)O 1P00IAJH [0,1,0,0,0,0|3,0,0]=4 1236 B6R0.3 NC[C@@H](C(=O)O)N 1P002BHJ [0,1,0,0,0,0|3,0,0]=4 1237 B6R0.3 NC[C@@H](C(=O)O)O 1P00IBMO [0,1,0,0,0,0|3,0,0]=4 1238 B6R0.3 NC[C@H](C(=O)O)F 1P01C2S9 [0,1,0,0,0,0|3,0,0]=4 1239 B6R0.3 NC[C@H](C(=O)O)O 1P00IBMN [0,1,0,0,0,0|3,0,0]=4 1240 B6R0.3 N[C@@H](C(=O)N)CO 1P000JHQ [0,1,0,0,0,0|3,0,0]=4 1241 B6R0.3 N[C@@H](C(=O)O)C=C 1P0097X9 [0,1,0,0,0,0|2,0,1]=4 1242 B6R0.3 N[C@@H](C(=O)O)CBr 1P0285EG [0,1,0,0,0,0|3,0,0]=4 1243 B6R0.3 N[C@@H](C(=O)O)CCl 1P00C7GL [0,1,0,0,0,0|3,0,0]=4 1244 B6R0.3 N[C@@H](C(=O)O)CCl 1P00DFAR [0,1,0,0,0,0|3,0,0]=4 1245 B6R0.3 N[C@@H](C(=O)O)CF 1P0078KD [0,1,0,0,0,0|3,0,0]=4 1246 B6R0.3 N[C@@H](C(=O)O)CN 1P002FR4 [0,1,0,0,0,0|3,0,0]=4 1247 B6R0.3 N[C@@H](C(=O)O)CN 1P003422 [0,1,0,0,0,0|3,0,0]=4 1248 B6R0.3 N[C@@H](C(=O)O)CS 1P002JBZ [0,1,0,0,0,0|3,0,0]=4 1249 B6R0.3 N[C@@H](C(=O)O)CS 1P00I6LW [0,1,0,0,0,0|3,0,0]=4 1250 B6R0.3 N[C@@H](C(=O)O)CS 1P00IHHG [0,1,0,0,0,0|3,0,0]=4 1251 B6R0.3 N[C@H](C(=O)N)CO 1P003RU0 [0,1,0,0,0,0|3,0,0]=4 1252 B6R0.3 N[C@H](C(=O)O)C=C 1P003AKV [0,1,0,0,0,0|2,0,1]=4 1253 B6R0.3 N[C@H](C(=O)O)CBr 1P028ADI [0,1,0,0,0,0|3,0,0]=4 1254 B6R0.3 N[C@H](C(=O)O)CCl 1P00344Z [0,1,0,0,0,0|3,0,0]=4 1255 B6R0.3 N[C@H](C(=O)O)CF 1P028KPH [0,1,0,0,0,0|3,0,0]=4 1256 B6R0.3 N[C@H](C(=O)O)CN 1P001FZQ [0,1,0,0,0,0|3,0,0]=4 1257 B6R0.3 N[C@H](C(=O)O)CN 1P00C7HL [0,1,0,0,0,0|3,0,0]=4 1258 B6R0.3 N[C@H](C(=O)O)CS 1P000DOJ [0,1,0,0,0,0|3,0,0]=4 1259 B6R0.3 N[C@H](C(=O)O)CS 1P0035JZ [0,1,0,0,0,0|3,0,0]=4 1260 B6R0.3 N[C@H](C(=O)O)CS 1P003RPD [0,1,0,0,0,0|3,0,0]=4 1261 B6R0.3 N[C@H](C(=O)O)C[SeH] 1P0007PW [0,1,0,0,0,0|3,0,0]=4 1262 B6R0.3 O=CC(C(=O)C)Br 1P008EEH [0,1,0,0,0,0|2,0,0]=3 1263 B6R0.3 OC(=O)C(C=C)Cl 1P01B91R [0,1,0,0,0,0|2,0,1]=4 1264 B6R0.3 OC(=O)C(CBr)Br 1P00392R [0,1,0,0,0,0|3,0,0]=4 1265 B6R0.3 OC(=O)C(CCl)Cl 1P003FYG [0,1,0,0,0,0|3,0,0]=4 1266 B6R0.3 OC(=O)C(CF)Br 1P001X8V [0,1,0,0,0,0|3,0,0]=4 1267 B6R0.3 OC(C(=O)O)C#C 1P003HUH [0,1,0,0,0,0|2,0,1]=4 1268 B6R0.3 OC(C(=O)O)C=C 1P00F3FZ [0,1,0,0,0,0|2,0,1]=4 1269 B6R0.3 OC(C(=O)O)CBr 1P00CRVV [0,1,0,0,0,0|3,0,0]=4 1270 B6R0.3 OC(C(=O)O)CCl 1P00369Z [0,1,0,0,0,0|3,0,0]=4 1271 B6R0.3 OCC(C(=O)O)Br 1P001VQN [0,1,0,0,0,0|3,0,0]=4 1272 B6R0.3 OCC(C(=O)O)C 1P002J5U [0,1,0,0,0,0|3,0,0]=4 1273 B6R0.3 OCC(C(=O)O)N 1P003QB8 [0,1,0,0,0,0|3,0,0]=4 1274 B6R0.3 OCC(C(=O)O)O 1P003P4H [0,1,0,0,0,0|3,0,0]=4 1275 B6R0.3 OCC(C(=O)O)O 1P003R8N [0,1,0,0,0,0|3,0,0]=4 1276 B6R0.3 OCC(C(=O)[O-])O 1P024HGG [0,1,0,0,0,0|3,0,0]=4 1277 B6R0.3 OC[C@@H](C(=O)O)Br 1P005HBV [0,1,0,0,0,0|3,0,0]=4 1278 B6R0.3 OC[C@@H](C(=O)O)N 1P003RTZ [0,1,0,0,0,0|3,0,0]=4 1279 B6R0.3 OC[C@H](C(=O)O)Br 1P023N89 [0,1,0,0,0,0|3,0,0]=4 1280 B6R0.3 OC[C@H](C(=O)O)C 1P002FFU [0,1,0,0,0,0|3,0,0]=4 1281 B6R0.3 OC[C@H](C(=O)O)N 1P00I6B9 [0,1,0,0,0,0|3,0,0]=4 1282 B6R0.3 O[13CH2][13C@@H]([13C](=O)O)N 1P01CCY3 [0,1,0,0,0,0|3,0,0]=4 1283 B6R0.3 O[C@@H](C(=O)O)CF 1P01DXE8 [0,1,0,0,0,0|3,0,0]=4 1284 B6R0.3 O[C@H](C(=O)O)CF 1P01G9M1 [0,1,0,0,0,0|3,0,0]=4 1285 B6R0.3 [O-]C(=O)C(=O)CC 1P002DSR [0,1,0,0,0,0|2,0,1]=4 1286 B6R0.3 [O-]C(=O)C(=O)OC 1P00HADN [0,1,0,0,0,0|1,1,1]=4 1287 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [0,1,0,0,0,0|2,0,0]=3 1288 B6R0.3 [O-]C(=O)C(CF)O 1P027W8B [0,1,0,0,0,0|3,0,0]=4 1289 B6R0.3 [O-]C(=O)C(CO)C 1P00HH01 [0,1,0,0,0,0|3,0,0]=4 1290 B6R0.3 [O-]C(=O)C(OC)F 1P01BFBH [0,1,0,0,0,0|1,1,0]=3 1291 B6R0.3 [O-]S(=O)C(CC)C 1P01BCHM [0,1,0,0,0,0|3,0,0]=4 1292 B6R0.4 BrCCC=C(C)C 1P0034OC [0,1,0,0,0,0|2,0,1]=4 1293 B6R0.4 BrCCCC(=C)C 1P00I8IN [0,1,0,0,0,0|2,0,0]=3 1294 B6R0.4 BrCCCC(=O)C 1P003N1I [0,1,0,0,0,0|1,0,0]=2 1295 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [0,1,0,0,0,0|2,0,0]=3 1296 B6R0.4 BrCCCC(=O)O 1P002SV1 [0,1,0,0,0,0|2,0,0]=3 1297 B6R0.4 BrCCCC(Br)C 1P003E4O [0,1,0,0,0,0|2,0,1]=4 1298 B6R0.4 BrCCCC(C)C 1P003ELQ [0,1,0,0,0,0|2,0,1]=4 1299 B6R0.4 BrCCCC(O)C 1P003N1H [0,1,0,0,0,0|1,0,2]=4 1300 B6R0.4 BrCCCN(C)C 1P00343K [0,1,0,0,0,0|3,0,0]=4 1301 B6R0.4 BrCCC[N+](=O)[O-] 1P01KXGR [0,1,0,0,0,0|3,0,0]=4 1302 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [0,1,0,0,0,0|2,0,1]=4 1303 B6R0.4 C#CCCC(=O)C 1P006UKG [0,1,0,0,0,0|1,0,1]=3 1304 B6R0.4 C#CCCC(=O)Cl 1P01BD9J [0,1,0,0,0,0|2,0,1]=4 1305 B6R0.4 C#CCCC(=O)O 1P0036LK [0,1,0,0,0,0|2,0,1]=4 1306 B6R0.4 C#CCCC(=O)[O-] 1P008U0A [0,1,0,0,0,0|2,0,1]=4 1307 B6R0.4 C(CCC#C)(=O)N 1P01FWYV [0,1,0,0,0,0|2,0,1]=4 1308 B6R0.4 C=CCCC(=O)C 1P0034QR [0,1,0,0,0,0|1,0,1]=3 1309 B6R0.4 C=CCCC(=O)Cl 1P003MF0 [0,1,0,0,0,0|2,0,1]=4 1310 B6R0.4 C=CCCC(=O)N 1P005PYG [0,1,0,0,0,0|2,0,1]=4 1311 B6R0.4 C=CCCC(=O)O 1P0037ZD [0,1,0,0,0,0|2,0,1]=4 1312 B6R0.4 CC(=C)CN=C=O 1P028K6Z [0,1,0,0,0,0|2,0,1]=4 1313 B6R0.4 CC(=O)CSC#N 1P002ZXU [0,1,0,0,0,0|0,0,1]=2 1314 B6R0.4 CC(=O)NCC#C 1P00FXQ5 [0,1,0,0,0,0|1,0,1]=3 1315 B6R0.4 CC(=O)NCC#N 1P003SUU [0,1,0,0,0,0|2,0,0]=3 1316 B6R0.4 CC(=O)NCC=C 1P005X25 [0,1,0,0,0,0|1,0,1]=3 1317 B6R0.4 CC(=O)NCCCl 1P008R49 [0,1,0,0,0,0|2,0,0]=3 1318 B6R0.4 CC(=O)NCCN 1P0001ES [0,1,0,0,0,0|2,0,0]=3 1319 B6R0.4 CC(=O)NCCO 1P003SQ9 [0,1,0,0,0,0|2,0,0]=3 1320 B6R0.4 CC(=O)NCCS 1P000PGX [0,1,0,0,0,0|2,0,0]=3 1321 B6R0.4 CC(=O)OCC#C 1P003UFK [0,1,0,0,0,0|1,0,1]=3 1322 B6R0.4 CC(=O)OCC#N 1P00983E [0,1,0,0,0,0|2,0,0]=3 1323 B6R0.4 CC(=O)OCCBr 1P0033N2 [0,1,0,0,0,0|2,0,0]=3 1324 B6R0.4 CC(=O)OCCCl 1P003O37 [0,1,0,0,0,0|2,0,0]=3 1325 B6R0.4 CC(=O)OCCN 1P01BHMJ [0,1,0,0,0,0|2,0,0]=3 1326 B6R0.4 CC(=O)OCCO 1P003BP4 [0,1,0,0,0,0|2,0,0]=3 1327 B6R0.4 CC(=O)SCC#C 1P001378 [0,1,0,0,0,0|1,0,1]=3 1328 B6R0.4 CC(=O)SCC#N 1P00EBIB [0,1,0,0,0,0|2,0,0]=3 1329 B6R0.4 CC(=O)SCCBr 1P01C2AP [0,1,0,0,0,0|2,0,0]=3 1330 B6R0.4 CC(=O)SCCN 1P0021WX [0,1,0,0,0,0|2,0,0]=3 1331 B6R0.4 CCC#CC(=O)C 1P003JZH [0,1,0,0,0,0|1,0,1]=3 1332 B6R0.4 CCC#CC(=O)O 1P003IAY [0,1,0,0,0,0|2,0,1]=4 1333 B6R0.4 CCCC=C(C)C 1P003I2I [0,1,0,0,0,0|2,0,0]=3 1334 B6R0.4 CCCCC(=C)C 1P003I1X [0,1,0,0,0,0|2,0,0]=3 1335 B6R0.4 CCCCC(=N)N 1P0024GH [0,1,0,0,0,0|3,0,0]=4 1336 B6R0.4 CCCCC(=N)N 1P008RZF [0,1,0,0,0,0|3,0,0]=4 1337 B6R0.4 CCCCC(=O)Br 1P002HYG [0,1,0,0,0,0|2,0,0]=3 1338 B6R0.4 CCCCC(=O)Cl 1P003698 [0,1,0,0,0,0|2,0,0]=3 1339 B6R0.4 CCCCC(=O)N 1P0035X7 [0,1,0,0,0,0|2,0,0]=3 1340 B6R0.4 CCCCC(=O)O 1P003696 [0,1,0,0,0,0|2,0,0]=3 1341 B6R0.4 CCCCC(=O)[O-] 1P003697 [0,1,0,0,0,0|2,0,0]=3 1342 B6R0.4 CCCCC(=S)N 1P001WK5 [0,1,0,0,0,0|2,1,0]=4 1343 B6R0.4 CCCCC(Br)C 1P0033N8 [0,1,0,0,0,0|2,0,1]=4 1344 B6R0.4 CCCCC(C)C 1P003I64 [0,1,0,0,0,0|2,0,1]=4 1345 B6R0.4 CCCCC(Cl)C 1P003HJ7 [0,1,0,0,0,0|2,0,1]=4 1346 B6R0.4 CCCCC(N)C 1P00DGB5 [0,1,0,0,0,0|2,0,1]=4 1347 B6R0.4 CCCCC(N)C 1P01XESR [0,1,0,0,0,0|2,0,1]=4 1348 B6R0.4 CCCCC(O)C 1P003HTP [0,1,0,0,0,0|1,0,2]=4 1349 B6R0.4 CCCCN(N)C 1P0028OB [0,1,0,0,0,0|3,0,0]=4 1350 B6R0.4 CCCCS(=O)Cl 1P0070TR [0,1,0,0,0,0|3,0,0]=4 1351 B6R0.4 CCCCS(=O)[O-] 1P01BCHF [0,1,0,0,0,0|3,0,0]=4 1352 B6R0.4 CCCC[C@@H](N)C 1P0032XK [0,1,0,0,0,0|2,0,1]=4 1353 B6R0.4 CCCC[C@@H](O)C 1P003CXC [0,1,0,0,0,0|1,0,2]=4 1354 B6R0.4 CCCC[C@H](N)C 1P003CJB [0,1,0,0,0,0|2,0,1]=4 1355 B6R0.4 CCCC[C@H](O)C 1P002U47 [0,1,0,0,0,0|1,0,2]=4 1356 B6R0.4 CCCC[N+](=O)[O-] 1P003F12 [0,1,0,0,0,0|3,0,0]=4 1357 B6R0.4 CCCC[Sn](=O)O 1P003P30 [0,1,0,0,0,0|3,0,0]=4 1358 B6R0.4 CCCNC(=N)N 1P019ZHR [0,1,0,0,0,0|3,0,0]=4 1359 B6R0.4 CCCNC(=O)C 1P003SVI [0,1,0,0,0,0|1,0,0]=2 1360 B6R0.4 CCCNC(=O)Cl 1P00D7IN [0,1,0,0,0,0|2,0,0]=3 1361 B6R0.4 CCCNC(=O)N 1P003TSP [0,1,0,0,0,0|2,0,0]=3 1362 B6R0.4 CCCNC(=S)N 1P003SVK [0,1,0,0,0,0|2,1,0]=4 1363 B6R0.4 CCCNC(C)C 1P003TLJ [0,1,0,0,0,0|2,0,1]=4 1364 B6R0.4 CCCNC(C)C 1P0281NZ [0,1,0,0,0,0|2,0,1]=4 1365 B6R0.4 CCCOC(=O)F 1P01B7MD [0,1,0,0,0,0|2,0,0]=3 1366 B6R0.4 CCCOC(=O)N 1P00EB3O [0,1,0,0,0,0|2,0,0]=3 1367 B6R0.4 CCCSC(=O)C 1P002MLH [0,1,0,0,0,0|1,0,0]=2 1368 B6R0.4 CCNCC(=C)C 1P0027XL [0,1,0,0,0,0|2,0,0]=3 1369 B6R0.4 CCNCC(=O)C 1P01AMEX [0,1,0,0,0,0|1,0,0]=2 1370 B6R0.4 CCNCC(=O)N 1P01BDEX [0,1,0,0,0,0|2,0,0]=3 1371 B6R0.4 CCNCC(=O)O 1P003TH0 [0,1,0,0,0,0|2,0,0]=3 1372 B6R0.4 CCNCC(=O)O 1P00DUFI [0,1,0,0,0,0|2,0,0]=3 1373 B6R0.4 CCNCC(C)C 1P019N4C [0,1,0,0,0,0|2,0,1]=4 1374 B6R0.4 CCNCC(O)C 1P0075HL [0,1,0,0,0,0|1,0,2]=4 1375 B6R0.4 CCNC[C@@H](O)C 1P00ICOH [0,1,0,0,0,0|1,0,2]=4 1376 B6R0.4 CCNC[C@@H](O)C 1P01BACX [0,1,0,0,0,0|1,0,2]=4 1377 B6R0.4 CCNC[C@H](N)C 1P028Q5V [0,1,0,0,0,0|2,0,1]=4 1378 B6R0.4 CCNC[C@H](O)C 1P01BAAJ [0,1,0,0,0,0|1,0,2]=4 1379 B6R0.4 CCNC[C@H](O)C 1P01BAAK [0,1,0,0,0,0|1,0,2]=4 1380 B6R0.4 CCOCC(=N)N 1P00J21O [0,1,0,0,0,0|2,1,0]=4 1381 B6R0.4 CCOCC(=O)C 1P001LKY [0,1,0,0,0,0|0,1,0]=2 1382 B6R0.4 CCOCC(=O)Cl 1P001D7O [0,1,0,0,0,0|1,1,0]=3 1383 B6R0.4 CCOCC(=O)O 1P0033R4 [0,1,0,0,0,0|1,1,0]=3 1384 B6R0.4 CCOCC(=S)N 1P01A31O [0,1,0,0,0,0|1,2,0]=4 1385 B6R0.4 CCOCC(Br)C 1P027UEM [0,1,0,0,0,0|1,1,1]=4 1386 B6R0.4 CCOCC(N)C 1P0076OP [0,1,0,0,0,0|1,1,1]=4 1387 B6R0.4 CCOCC(N)C 1P00IG2V [0,1,0,0,0,0|1,1,1]=4 1388 B6R0.4 CCOCC(O)C 1P001PJN [0,1,0,0,0,0|0,1,2]=4 1389 B6R0.4 CCOC[C@@H](N)C 1P01AG6P [0,1,0,0,0,0|1,1,1]=4 1390 B6R0.4 CCOC[C@H](N)C 1P01RU33 [0,1,0,0,0,0|1,1,1]=4 1391 B6R0.4 CCOC[C@H](O)C 1P01BDNR [0,1,0,0,0,0|0,1,2]=4 1392 B6R0.4 CCONC(=O)C 1P0284GY [0,1,0,0,0,0|1,1,0]=3 1393 B6R0.4 CCSCC(=O)C 1P003CHU [0,1,0,0,0,0|0,0,0]=1 1394 B6R0.4 CCSCC(=O)O 1P003BF5 [0,1,0,0,0,0|1,0,0]=2 1395 B6R0.4 CCSCC(N)C 1P019TGB [0,1,0,0,0,0|1,0,1]=3 1396 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [0,1,0,0,0,0|2,0,1]=4 1397 B6R0.4 CC\C=C\C(=O)Cl 1P00CTFB [0,1,0,0,0,0|2,0,1]=4 1398 B6R0.4 CC\C=C\C(=O)O 1P001C9L [0,1,0,0,0,0|2,0,1]=4 1399 B6R0.4 CNCCC(=O)C 1P01A3QD [0,1,0,0,0,0|1,0,0]=2 1400 B6R0.4 CNCCC(=O)N 1P003IPF [0,1,0,0,0,0|2,0,0]=3 1401 B6R0.4 CNCCC(=O)N 1P00J2D0 [0,1,0,0,0,0|2,0,0]=3 1402 B6R0.4 CNCCC(=O)O 1P003IPE [0,1,0,0,0,0|2,0,0]=3 1403 B6R0.4 CNCCC(=O)O 1P00IBZR [0,1,0,0,0,0|2,0,0]=3 1404 B6R0.4 CNCCC(C)C 1P00BI9Z [0,1,0,0,0,0|2,0,1]=4 1405 B6R0.4 CNCCC(O)C 1P00743C [0,1,0,0,0,0|1,0,2]=4 1406 B6R0.4 CNCCN(C)C 1P0038K8 [0,1,0,0,0,0|3,0,0]=4 1407 B6R0.4 CNCCN(C)C 1P00C6RX [0,1,0,0,0,0|3,0,0]=4 1408 B6R0.4 CNCC[C@@H](N)C 1P028V65 [0,1,0,0,0,0|2,0,1]=4 1409 B6R0.4 CNCC[C@@H](O)C 1P0288E3 [0,1,0,0,0,0|1,0,2]=4 1410 B6R0.4 CNCC[C@H](N)C 1P028XAD [0,1,0,0,0,0|2,0,1]=4 1411 B6R0.4 CNCC[C@H](O)C 1P0288S7 [0,1,0,0,0,0|1,0,2]=4 1412 B6R0.4 COC=CC(=O)C 1P00DEQI [0,1,0,0,0,0|0,1,1]=3 1413 B6R0.4 COC=CC(=O)O 1P01KAIU [0,1,0,0,0,0|1,1,1]=4 1414 B6R0.4 COCCC(=C)C 1P00D2DA [0,1,0,0,0,0|1,1,0]=3 1415 B6R0.4 COCCC(=N)N 1P005M9X [0,1,0,0,0,0|2,1,0]=4 1416 B6R0.4 COCCC(=N)N 1P00J1TY [0,1,0,0,0,0|2,1,0]=4 1417 B6R0.4 COCCC(=O)C 1P005IHL [0,1,0,0,0,0|0,1,0]=2 1418 B6R0.4 COCCC(=O)Cl 1P0072PJ [0,1,0,0,0,0|1,1,0]=3 1419 B6R0.4 COCCC(=O)N 1P007GOX [0,1,0,0,0,0|1,1,0]=3 1420 B6R0.4 COCCC(=O)O 1P003K4N [0,1,0,0,0,0|1,1,0]=3 1421 B6R0.4 COCCC(=S)N 1P019V93 [0,1,0,0,0,0|1,2,0]=4 1422 B6R0.4 COCCC(Br)C 1P019TT6 [0,1,0,0,0,0|1,1,1]=4 1423 B6R0.4 COCCC(N)C 1P01A9AE [0,1,0,0,0,0|1,1,1]=4 1424 B6R0.4 COCCC(O)C 1P00C7RH [0,1,0,0,0,0|0,1,2]=4 1425 B6R0.4 COCCN(C)C 1P00300X [0,1,0,0,0,0|2,1,0]=4 1426 B6R0.4 COCCN(C)C 1P0282L6 [0,1,0,0,0,0|2,1,0]=4 1427 B6R0.4 COCCN(N)C 1P01BHAV [0,1,0,0,0,0|2,1,0]=4 1428 B6R0.4 COCC[C@@H](N)C 1P020N0C [0,1,0,0,0,0|1,1,1]=4 1429 B6R0.4 COCC[C@@H](O)C 1P01AVJE [0,1,0,0,0,0|0,1,2]=4 1430 B6R0.4 COCC[C@H](N)C 1P027OJ1 [0,1,0,0,0,0|1,1,1]=4 1431 B6R0.4 COCOC(=O)C 1P00DMRV [0,1,0,0,0,0|0,1,0]=2 1432 B6R0.4 CON=CC(=O)O 1P008EGN [0,1,0,0,0,0|1,1,1]=4 1433 B6R0.4 CONCC(=O)O 1P028RHG [0,1,0,0,0,0|1,1,0]=3 1434 B6R0.4 CO\C=C\C(=O)C 1P00366M [0,1,0,0,0,0|0,1,1]=3 1435 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [0,1,0,0,0,0|1,1,1]=4 1436 B6R0.4 CSCCC(=N)N 1P00J2XD [0,1,0,0,0,0|2,0,0]=3 1437 B6R0.4 CSCCC(=O)C 1P003M9K [0,1,0,0,0,0|0,0,0]=1 1438 B6R0.4 CSCCC(=O)Cl 1P003IQ2 [0,1,0,0,0,0|1,0,0]=2 1439 B6R0.4 CSCCC(=O)N 1P006Y1B [0,1,0,0,0,0|1,0,0]=2 1440 B6R0.4 CSCCC(N)C 1P01AJYY [0,1,0,0,0,0|1,0,1]=3 1441 B6R0.4 CSCCC(O)C 1P01AV0K [0,1,0,0,0,0|0,0,2]=3 1442 B6R0.4 CSCCN(C)C 1P01HHYC [0,1,0,0,0,0|2,0,0]=3 1443 B6R0.4 CSCOC(=O)C 1P001VB8 [0,1,0,0,0,0|0,0,0]=1 1444 B6R0.4 CSSCC(=O)O 1P01A6D5 [0,1,0,0,0,0|1,0,0]=2 1445 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [0,1,0,0,0,0|2,0,0]=3 1446 B6R0.4 C\C=N\NC(=O)N 1P003O30 [0,1,0,0,0,0|3,0,0]=4 1447 B6R0.4 ClC(=O)OCC#C 1P00CJ6P [0,1,0,0,0,0|2,0,1]=4 1448 B6R0.4 ClC(=O)OCC=C 1P002YN7 [0,1,0,0,0,0|2,0,1]=4 1449 B6R0.4 ClC(=O)OCCBr 1P006YLF [0,1,0,0,0,0|3,0,0]=4 1450 B6R0.4 ClCC#CC(=O)O 1P0011O4 [0,1,0,0,0,0|2,0,1]=4 1451 B6R0.4 ClCC=CC(=O)Cl 1P002PYN [0,1,0,0,0,0|2,0,1]=4 1452 B6R0.4 ClCC=CC(=O)O 1P001T1M [0,1,0,0,0,0|2,0,1]=4 1453 B6R0.4 ClCCCC(=C)Cl 1P01BL9V [0,1,0,0,0,0|2,0,1]=4 1454 B6R0.4 ClCCCC(=O)C 1P0034PM [0,1,0,0,0,0|1,0,0]=2 1455 B6R0.4 ClCCCC(=O)Cl 1P0034GN [0,1,0,0,0,0|2,0,0]=3 1456 B6R0.4 ClCCCC(=O)N 1P00C2BS [0,1,0,0,0,0|2,0,0]=3 1457 B6R0.4 ClCCCC(=O)O 1P003LNQ [0,1,0,0,0,0|2,0,0]=3 1458 B6R0.4 ClCCCC(C)C 1P00EKZ8 [0,1,0,0,0,0|2,0,1]=4 1459 B6R0.4 ClCCCC(Cl)C 1P00333J [0,1,0,0,0,0|2,0,1]=4 1460 B6R0.4 ClCCCC(O)C 1P003N4E [0,1,0,0,0,0|1,0,2]=4 1461 B6R0.4 ClCCCN(C)C 1P00345J [0,1,0,0,0,0|3,0,0]=4 1462 B6R0.4 ClCCCN(C)C 1P008RT5 [0,1,0,0,0,0|3,0,0]=4 1463 B6R0.4 ClCCC[N+](=O)[O-] 1P001XGY [0,1,0,0,0,0|3,0,0]=4 1464 B6R0.4 ClCCOC(=O)Cl 1P003HIX [0,1,0,0,0,0|3,0,0]=4 1465 B6R0.4 ClCOCC(C)C 1P00CSAJ [0,1,0,0,0,0|1,1,1]=4 1466 B6R0.4 ClCSCC(C)C 1P01HDYR [0,1,0,0,0,0|1,0,1]=3 1467 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [0,1,0,0,0,0|2,0,1]=4 1468 B6R0.4 FCCCC(=O)O 1P00DWFR [0,1,0,0,0,0|2,0,0]=3 1469 B6R0.4 FCCCC(Cl)C 1P028YUF [0,1,0,0,0,0|2,0,1]=4 1470 B6R0.4 FCCOC(=O)Cl 1P003HSJ [0,1,0,0,0,0|3,0,0]=4 1471 B6R0.4 ICCCC(=O)C 1P01I085 [0,1,0,0,0,0|1,0,0]=2 1472 B6R0.4 ICCCC(=O)O 1P003M1J [0,1,0,0,0,0|2,0,0]=3 1473 B6R0.4 ICCCC(C)C 1P00EDWQ [0,1,0,0,0,0|2,0,1]=4 1474 B6R0.4 ICCCN(C)C 1P028ICM [0,1,0,0,0,0|3,0,0]=4 1475 B6R0.4 ICCC[N+](=O)[O-] 1P028IR1 [0,1,0,0,0,0|3,0,0]=4 1476 B6R0.4 N#CCC=C(C)C 1P00DGHX [0,1,0,0,0,0|3,0,0]=4 1477 B6R0.4 N#CCCC(=C)C 1P01BB63 [0,1,0,0,0,0|2,0,1]=4 1478 B6R0.4 N#CCCC(=O)C 1P006EUQ [0,1,0,0,0,0|1,0,1]=3 1479 B6R0.4 N#CCCC(=O)N 1P00ECYT [0,1,0,0,0,0|2,0,1]=4 1480 B6R0.4 N#CCCC(=O)O 1P001SGB [0,1,0,0,0,0|2,0,1]=4 1481 B6R0.4 NC(=O)CN=C=S 1P01AA58 [0,1,0,0,0,0|2,0,1]=4 1482 B6R0.4 NC(=O)NCC#C 1P00DD21 [0,1,0,0,0,0|2,0,1]=4 1483 B6R0.4 NC(=O)NCC#N 1P00ES0P [0,1,0,0,0,0|3,0,0]=4 1484 B6R0.4 NC(=O)NCC=C 1P003O7H [0,1,0,0,0,0|2,0,1]=4 1485 B6R0.4 NC(=O)NCCCl 1P003HJ6 [0,1,0,0,0,0|3,0,0]=4 1486 B6R0.4 NC(=O)NCCF 1P001ALC [0,1,0,0,0,0|3,0,0]=4 1487 B6R0.4 NC(=O)OCC#C 1P001XVZ [0,1,0,0,0,0|2,0,1]=4 1488 B6R0.4 NC(=O)OCC=C 1P00BJVU [0,1,0,0,0,0|2,0,1]=4 1489 B6R0.4 NC(=O)OCCCl 1P002LSQ [0,1,0,0,0,0|3,0,0]=4 1490 B6R0.4 NC(=O)OCCO 1P0033TG [0,1,0,0,0,0|3,0,0]=4 1491 B6R0.4 NCC#CC(=O)O 1P01AFUK [0,1,0,0,0,0|2,0,1]=4 1492 B6R0.4 NCC=CC(=O)O 1P01BG7C [0,1,0,0,0,0|2,0,1]=4 1493 B6R0.4 NCCC=C(C)C 1P01BDB7 [0,1,0,0,0,0|2,0,1]=4 1494 B6R0.4 NCCCC(=C)Br 1P027WOG [0,1,0,0,0,0|2,0,1]=4 1495 B6R0.4 NCCCC(=C)C 1P01CAMK [0,1,0,0,0,0|2,0,0]=3 1496 B6R0.4 NCCCC(=C)C 1P01EMHE [0,1,0,0,0,0|2,0,0]=3 1497 B6R0.4 NCCCC(=C)Cl 1P028BHT [0,1,0,0,0,0|2,0,1]=4 1498 B6R0.4 NCCCC(=N)N 1P01ELZE [0,1,0,0,0,0|3,0,0]=4 1499 B6R0.4 NCCCC(=O)N 1P000UR1 [0,1,0,0,0,0|2,0,0]=3 1500 B6R0.4 NCCCC(=O)O 1P003L7U [0,1,0,0,0,0|2,0,0]=3 1501 B6R0.4 NCCCC(C)C 1P019M52 [0,1,0,0,0,0|2,0,1]=4 1502 B6R0.4 NCCCC(C)C 1P01A91F [0,1,0,0,0,0|2,0,1]=4 1503 B6R0.4 NCCCC(N)C 1P01BBVJ [0,1,0,0,0,0|2,0,1]=4 1504 B6R0.4 NCCCC(O)C 1P0058AE [0,1,0,0,0,0|1,0,2]=4 1505 B6R0.4 NCCCN(C)C 1P00345I [0,1,0,0,0,0|3,0,0]=4 1506 B6R0.4 NCCCN(C)C 1P01FNUW [0,1,0,0,0,0|3,0,0]=4 1507 B6R0.4 NCCCS(=O)C 1P01AH4P [0,1,0,0,0,0|2,0,0]=3 1508 B6R0.4 NCCCS(=O)O 1P007O4D [0,1,0,0,0,0|3,0,0]=4 1509 B6R0.4 NCCC[N+](=O)[O-] 1P0287WK [0,1,0,0,0,0|3,0,0]=4 1510 B6R0.4 NCCNC(=O)N 1P00G2PY [0,1,0,0,0,0|3,0,0]=4 1511 B6R0.4 NCCNC(=O)N 1P01B2YB [0,1,0,0,0,0|3,0,0]=4 1512 B6R0.4 NCCOC(=O)N 1P01A50O [0,1,0,0,0,0|3,0,0]=4 1513 B6R0.4 NC\C=C\C(=O)N 1P028GOU [0,1,0,0,0,0|2,0,1]=4 1514 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [0,1,0,0,0,0|2,0,1]=4 1515 B6R0.4 NOCCC(=C)C 1P028VXJ [0,1,0,0,0,0|2,1,0]=4 1516 B6R0.4 NOCCC(=O)O 1P0037L4 [0,1,0,0,0,0|2,1,0]=4 1517 B6R0.4 O=CCCC(=O)C 1P00F3IL [0,1,0,0,0,0|1,0,1]=3 1518 B6R0.4 O=CCCC(=O)O 1P003UX2 [0,1,0,0,0,0|2,0,1]=4 1519 B6R0.4 O=CNCC(=O)O 1P002QBB [0,1,0,0,0,0|2,0,1]=4 1520 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [0,1,0,0,0,0|2,0,1]=4 1521 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [0,1,0,0,0,0|2,0,1]=4 1522 B6R0.4 OCC#CC(=O)O 1P00FEG4 [0,1,0,0,0,0|2,0,1]=4 1523 B6R0.4 OCC=CC(=O)[O-] 1P01C4RI [0,1,0,0,0,0|2,0,1]=4 1524 B6R0.4 OCCCC(=C)C 1P006Y6M [0,1,0,0,0,0|2,0,0]=3 1525 B6R0.4 OCCCC(=C)Cl 1P01DW9I [0,1,0,0,0,0|2,0,1]=4 1526 B6R0.4 OCCCC(=C)F 1P01DWBG [0,1,0,0,0,0|2,0,1]=4 1527 B6R0.4 OCCCC(=N)N 1P01AD82 [0,1,0,0,0,0|3,0,0]=4 1528 B6R0.4 OCCCC(=O)C 1P0034QX [0,1,0,0,0,0|1,0,0]=2 1529 B6R0.4 OCCCC(=O)N 1P006EUD [0,1,0,0,0,0|2,0,0]=3 1530 B6R0.4 OCCCC(Br)C 1P01KW6P [0,1,0,0,0,0|2,0,1]=4 1531 B6R0.4 OCCCC(Cl)C 1P01C1OQ [0,1,0,0,0,0|2,0,1]=4 1532 B6R0.4 OCCCC(N)C 1P0061LN [0,1,0,0,0,0|2,0,1]=4 1533 B6R0.4 OCCCC(O)C 1P00391M [0,1,0,0,0,0|1,0,2]=4 1534 B6R0.4 OCCCC(S)C 1P028LLK [0,1,0,0,0,0|1,1,1]=4 1535 B6R0.4 OCCCN(C)C 1P00I6HH [0,1,0,0,0,0|3,0,0]=4 1536 B6R0.4 OCCCS(=O)C 1P027JF3 [0,1,0,0,0,0|2,0,0]=3 1537 B6R0.4 OCCC[N+](=O)[O-] 1P002R92 [0,1,0,0,0,0|3,0,0]=4 1538 B6R0.4 OC\C=C\C(=O)O 1P002P4F [0,1,0,0,0,0|2,0,1]=4 1539 B6R0.4 SCCCC(=O)O 1P000VMF [0,1,0,0,0,0|2,0,0]=3 1540 B6R0.4 SCCCC(C)C 1P00E46C [0,1,0,0,0,0|2,0,1]=4 1541 B6R0.4 SCCCN(C)C 1P00C8D7 [0,1,0,0,0,0|3,0,0]=4 1542 B6R0.4 [N-]=[N+]=NCC(=O)Cl 1P0030J1 [0,1,0,0,0,0|3,0,0]=4 1543 B6R0.4 [N-]=[N+]=NCC(=O)N 1P0023FL [0,1,0,0,0,0|3,0,0]=4 1544 B6R0.4 [O-]C(=O)CNCO 1P003725 [0,1,0,0,0,0|2,0,0]=3 1545 B6R0.4 [S-]C(=S)OCCC 1P003TSQ [0,1,0,0,0,0|2,1,0]=4 1546 B6R0.5 BrCCS(=O)(=O)C 1P001WGR [0,1,0,0,0,0|3,0,0]=4 1547 B6R0.5 C#CCP(=O)(C)C 1P028CW5 [0,1,0,0,0,0|2,0,1]=4 1548 B6R0.5 C#CCS(=O)(=O)C 1P0096VU [0,1,0,0,0,0|2,0,1]=4 1549 B6R0.5 C=CCP(=O)(C)C 1P028TVF [0,1,0,0,0,0|2,0,1]=4 1550 B6R0.5 C=CCS(=O)(=O)C 1P001T9X [0,1,0,0,0,0|2,0,1]=4 1551 B6R0.5 CC#CS(=O)(=O)C 1P028AVV [0,1,0,0,0,0|2,0,1]=4 1552 B6R0.5 CC=CP(=O)(C)C 1P028FV6 [0,1,0,0,0,0|2,0,1]=4 1553 B6R0.5 CCCC(C)(C)C 1P003FSG [0,1,0,0,0,0|2,0,1]=4 1554 B6R0.5 CCCC(Cl)(C)C 1P003HBG [0,1,0,0,0,0|2,0,1]=4 1555 B6R0.5 CCCC(S)(C)C 1P001UGV [0,1,0,0,0,0|1,1,1]=4 1556 B6R0.5 CCCP(=O)(O)O 1P0035ZY [0,1,0,0,0,0|3,0,0]=4 1557 B6R0.5 CCCS(=O)(=O)Cl 1P000514 [0,1,0,0,0,0|3,0,0]=4 1558 B6R0.5 CCCS(=O)(=O)F 1P019XKB [0,1,0,0,0,0|3,0,0]=4 1559 B6R0.5 CCCS(=O)(=O)N 1P007OF1 [0,1,0,0,0,0|3,0,0]=4 1560 B6R0.5 CCCS(=O)(=O)[O-] 1P001L9X [0,1,0,0,0,0|3,0,0]=4 1561 B6R0.5 CCCS(=O)(=O)[O-] 1P0030P0 [0,1,0,0,0,0|3,0,0]=4 1562 B6R0.5 CCC[N+](C)(C)C 1P002TXN [0,1,0,0,0,0|3,0,0]=4 1563 B6R0.5 CCNS(=O)(=O)C 1P019S9P [0,1,0,0,0,0|3,0,0]=4 1564 B6R0.5 CCOS(=O)(=O)C 1P0035D5 [0,1,0,0,0,0|3,0,0]=4 1565 B6R0.5 CNCC(C)(C)C 1P00CN3Z [0,1,0,0,0,0|2,0,1]=4 1566 B6R0.5 CNCC(F)(F)C 1P028NXI [0,1,0,0,0,0|2,0,1]=4 1567 B6R0.5 CNCC(O)(C)C 1P0039MB [0,1,0,0,0,0|1,0,2]=4 1568 B6R0.5 CNCP(=O)(C)C 1P028CUR [0,1,0,0,0,0|2,0,0]=3 1569 B6R0.5 CNC[Si](C)(C)C 1P01C60M [0,1,0,0,0,0|2,1,0]=4 1570 B6R0.5 COCC(N)(C)C 1P002JC7 [0,1,0,0,0,0|1,1,1]=4 1571 B6R0.5 COCC(N)(C)C 1P002R6R [0,1,0,0,0,0|1,1,1]=4 1572 B6R0.5 COCC(O)(C)C 1P003EX8 [0,1,0,0,0,0|0,1,2]=4 1573 B6R0.5 COCC(S)(C)C 1P027TWZ [0,1,0,0,0,0|0,2,1]=4 1574 B6R0.5 COC[Si](C)(C)C 1P001F14 [0,1,0,0,0,0|1,2,0]=4 1575 B6R0.5 CS(=O)(=N)CCO 1P01FI4N [0,1,0,0,0,0|3,0,0]=4 1576 B6R0.5 CSCC(F)(F)F 1P01E7IJ [0,1,0,0,0,0|2,0,1]=4 1577 B6R0.5 CSCC(N)(C)C 1P00CMKP [0,1,0,0,0,0|1,0,1]=3 1578 B6R0.5 CSCC(O)(C)C 1P01BJFF [0,1,0,0,0,0|0,0,2]=3 1579 B6R0.5 C\C=C\S(=O)(=O)C 1P01I2DB [0,1,0,0,0,0|2,0,1]=4 1580 B6R0.5 ClCCS(=O)(=O)C 1P00DGHE [0,1,0,0,0,0|3,0,0]=4 1581 B6R0.5 F[B-](F)(CSC)F 1P01FWRO [0,1,0,0,0,0|3,0,0]=4 1582 B6R0.5 ICCS(=O)(=O)C 1P0283W2 [0,1,0,0,0,0|3,0,0]=4 1583 B6R0.5 N#CCP(=O)(C)C 1P003XOV [0,1,0,0,0,0|3,0,0]=4 1584 B6R0.5 N#CCS(=O)(=O)C 1P003FJT [0,1,0,0,0,0|3,0,0]=4 1585 B6R0.5 NCCP(=O)(C)C 1P028ZI9 [0,1,0,0,0,0|3,0,0]=4 1586 B6R0.5 NCCS(=O)(=N)C 1P028768 [0,1,0,0,0,0|3,0,0]=4 1587 B6R0.5 NCCS(=O)(=O)C 1P0033KX [0,1,0,0,0,0|3,0,0]=4 1588 B6R0.5 NCCS(=O)(=O)C 1P003QF3 [0,1,0,0,0,0|3,0,0]=4 1589 B6R0.5 OCCP(=O)(C)C 1P028EB7 [0,1,0,0,0,0|3,0,0]=4 1590 B6R0.5 OCCS(=O)(=O)C 1P003FK0 [0,1,0,0,0,0|3,0,0]=4 1591 B6R0.5 SCCS(=O)(=O)C 1P01AGZS [0,1,0,0,0,0|3,0,0]=4 1592 B6R1.2 BrC1=CCCC1 1P000ISQ [0,0,0,1,0,0|2,0,1]=4 1593 B6R1.2 BrC1=COCC1 1P01BCHP [0,0,0,1,0,0|1,1,1]=4 1594 B6R1.2 BrC1=NOCC1 1P00BVER [0,0,0,1,0,0|2,1,0]=4 1595 B6R1.2 BrC1CCCC1 1P00134Y [0,0,0,1,0,0|2,0,1]=4 1596 B6R1.2 BrC1CNCC1 1P000SXO [0,0,0,1,0,0|2,0,1]=4 1597 B6R1.2 BrC1CNCC1 1P00IJDM [0,0,0,1,0,0|2,0,1]=4 1598 B6R1.2 BrC1COCC1 1P00AP8A [0,0,0,1,0,0|1,1,1]=4 1599 B6R1.2 BrC1CSCC1 1P01AUS9 [0,0,0,1,0,0|1,0,1]=3 1600 B6R1.2 Br[C@@H]1CNCC1 1P01DWDA [0,0,0,1,0,0|2,0,1]=4 1601 B6R1.2 Br[C@@H]1COCC1 1P028W1C [0,0,0,1,0,0|1,1,1]=4 1602 B6R1.2 Br[C@H]1CNCC1 1P00AB63 [0,0,0,1,0,0|2,0,1]=4 1603 B6R1.2 Br[C@H]1COCC1 1P028VM2 [0,0,0,1,0,0|1,1,1]=4 1604 B6R1.2 C1C=NNC1=O 1P00134X [0,0,0,1,0,0|2,0,1]=4 1605 B6R1.2 C1C=NOC1=O 1P0082VF [0,0,0,1,0,0|2,0,1]=4 1606 B6R1.2 C1CNNC1=O 1P0020VF [0,0,0,1,0,0|2,0,0]=3 1607 B6R1.2 C1CONC1=O 1P000ISP [0,0,0,1,0,0|1,1,0]=3 1608 B6R1.2 C1NC(=O)C=C1 1P0037XN [0,0,0,1,0,0|2,0,1]=4 1609 B6R1.2 C1NCNC1=O 1P0013LS [0,0,0,1,0,0|2,0,0]=3 1610 B6R1.2 C1OC(=O)C=C1 1P0037VR [0,0,0,1,0,0|2,0,1]=4 1611 B6R1.2 C1OC=CC1=O 1P01HH13 [0,0,0,1,0,0|0,1,2]=4 1612 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [0,0,0,1,0,0|2,0,1]=4 1613 B6R1.2 C1SCNC1=O 1P01DZQ4 [0,0,0,1,0,0|1,0,0]=2 1614 B6R1.2 C=C1CCCC1 1P003SKL [0,0,0,1,0,0|2,0,0]=3 1615 B6R1.2 C=C1CNCC1 1P00HYRP [0,0,0,1,0,0|2,0,0]=3 1616 B6R1.2 C=C1CONC1 1P01FIH5 [0,0,0,1,0,0|2,1,0]=4 1617 B6R1.2 C=C1CSCC1 1P01FPQV [0,0,0,1,0,0|1,0,0]=2 1618 B6R1.2 CC1=CCCO1 1P001LLN [0,0,0,1,0,0|1,0,2]=4 1619 B6R1.2 CC1=CCNC1 1P028YTC [0,0,0,1,0,0|2,0,0]=3 1620 B6R1.2 CC1=NCCC1 1P0036ML [0,0,0,1,0,0|2,0,0]=3 1621 B6R1.2 CC1=NCCN1 1P003I2K [0,0,0,1,0,0|3,0,0]=4 1622 B6R1.2 CC1=NCCO1 1P003BPP [0,0,0,1,0,0|2,0,1]=4 1623 B6R1.2 CC1=NCCS1 1P002NSB [0,0,0,1,0,0|2,1,0]=4 1624 B6R1.2 CC1CCCN1 1P003I73 [0,0,0,1,0,0|2,0,1]=4 1625 B6R1.2 CC1CCCO1 1P0036DT [0,0,0,1,0,0|1,0,2]=4 1626 B6R1.2 CC1CNCC1 1P008SOQ [0,0,0,1,0,0|2,0,1]=4 1627 B6R1.2 CC1CNCS1 1P01DWT5 [0,0,0,1,0,0|1,1,1]=4 1628 B6R1.2 CC1COCC1 1P00348B [0,0,0,1,0,0|1,1,1]=4 1629 B6R1.2 CC1CSCN1 1P01DWT6 [0,0,0,1,0,0|1,0,1]=3 1630 B6R1.2 CN1CCCC1 1P000QI1 [0,0,0,1,0,0|3,0,0]=4 1631 B6R1.2 CN1CNCC1 1P01NMBZ [0,0,0,1,0,0|3,0,0]=4 1632 B6R1.2 CN1COCC1 1P007ME8 [0,0,0,1,0,0|2,1,0]=4 1633 B6R1.2 C[C@@H]1CCCN1 1P003CPV [0,0,0,1,0,0|2,0,1]=4 1634 B6R1.2 C[C@@H]1CCCN1 1P003CPW [0,0,0,1,0,0|2,0,1]=4 1635 B6R1.2 C[C@@H]1CNCC1 1P0039DE [0,0,0,1,0,0|2,0,1]=4 1636 B6R1.2 C[C@@H]1CNCO1 1P028LUQ [0,0,0,1,0,0|1,0,2]=4 1637 B6R1.2 C[C@@H]1CNCS1 1P02839S [0,0,0,1,0,0|1,1,1]=4 1638 B6R1.2 C[C@H]1CCCN1 1P00206M [0,0,0,1,0,0|2,0,1]=4 1639 B6R1.2 C[C@H]1CCCN1 1P0032OA [0,0,0,1,0,0|2,0,1]=4 1640 B6R1.2 C[C@H]1CNCC1 1P002NXA [0,0,0,1,0,0|2,0,1]=4 1641 B6R1.2 C[C@H]1CNCO1 1P028LZ2 [0,0,0,1,0,0|1,0,2]=4 1642 B6R1.2 C[C@H]1CNCS1 1P0283O1 [0,0,0,1,0,0|1,1,1]=4 1643 B6R1.2 C[S+]1CCCC1 1P002WBP [0,0,0,1,0,0|3,0,0]=4 1644 B6R1.2 Cc1cscc1 1P0037J4 [0,0,0,1,0,0|1,0,2]=4 1645 B6R1.2 Cc1cscn1 1P0034KU [0,0,0,1,0,0|1,0,2]=4 1646 B6R1.2 Cc1csnc1 1P00FFVP [0,0,0,1,0,0|2,0,1]=4 1647 B6R1.2 Cc1csnn1 1P0023VD [0,0,0,1,0,0|2,0,1]=4 1648 B6R1.2 ClC1=CCCC1 1P003ENR [0,0,0,1,0,0|2,0,1]=4 1649 B6R1.2 ClC1CCCC1 1P0067BI [0,0,0,1,0,0|2,0,1]=4 1650 B6R1.2 ClC1CNCC1 1P008TPJ [0,0,0,1,0,0|2,0,1]=4 1651 B6R1.2 ClC1COCC1 1P00AQGV [0,0,0,1,0,0|1,1,1]=4 1652 B6R1.2 Cl[C@@H]1CNCC1 1P0099OX [0,0,0,1,0,0|2,0,1]=4 1653 B6R1.2 Cl[C@H]1CNCC1 1P01DDDX [0,0,0,1,0,0|2,0,1]=4 1654 B6R1.2 FC1=CCNC1 1P0204LU [0,0,0,1,0,0|2,0,1]=4 1655 B6R1.2 FC1CCCC1 1P001FX4 [0,0,0,1,0,0|2,0,1]=4 1656 B6R1.2 FC1CNCC1 1P007VBD [0,0,0,1,0,0|2,0,1]=4 1657 B6R1.2 F[C@@H]1CNCC1 1P0012QJ [0,0,0,1,0,0|2,0,1]=4 1658 B6R1.2 F[C@H]1CNCC1 1P0012QH [0,0,0,1,0,0|2,0,1]=4 1659 B6R1.2 F[C@H]1CNCC1 1P00FEUM [0,0,0,1,0,0|2,0,1]=4 1660 B6R1.2 IC1=CCCC1 1P00AYUI [0,0,0,1,0,0|2,0,1]=4 1661 B6R1.2 IC1=COCC1 1P01JVAB [0,0,0,1,0,0|1,1,1]=4 1662 B6R1.2 IC1CCCC1 1P001OIB [0,0,0,1,0,0|2,0,1]=4 1663 B6R1.2 IC1CNCC1 1P01DY29 [0,0,0,1,0,0|2,0,1]=4 1664 B6R1.2 IC1COCC1 1P008USV [0,0,0,1,0,0|1,1,1]=4 1665 B6R1.2 I[C@@H]1COCC1 1P00GVTR [0,0,0,1,0,0|1,1,1]=4 1666 B6R1.2 I[C@H]1COCC1 1P00GVTQ [0,0,0,1,0,0|1,1,1]=4 1667 B6R1.2 N=C1CCCS1 1P00DAVZ [0,0,0,1,0,0|2,1,0]=4 1668 B6R1.2 NC1=NCCC1 1P005L7K [0,0,0,1,0,0|3,0,0]=4 1669 B6R1.2 NC1=NOCC1 1P024SP2 [0,0,0,1,0,0|2,1,0]=4 1670 B6R1.2 NC1CCCC1 1P0001YL [0,0,0,1,0,0|2,0,1]=4 1671 B6R1.2 NC1CNCC1 1P003JES [0,0,0,1,0,0|2,0,1]=4 1672 B6R1.2 NC1CNCC1 1P003JET [0,0,0,1,0,0|2,0,1]=4 1673 B6R1.2 NC1COCC1 1P002A0U [0,0,0,1,0,0|1,1,1]=4 1674 B6R1.2 NC1COCC1 1P00364W [0,0,0,1,0,0|1,1,1]=4 1675 B6R1.2 NC1CSCC1 1P008TP7 [0,0,0,1,0,0|1,0,1]=3 1676 B6R1.2 NC1CSCC1 1P019SSH [0,0,0,1,0,0|1,0,1]=3 1677 B6R1.2 NN1CCCC1 1P001WWW [0,0,0,1,0,0|3,0,0]=4 1678 B6R1.2 NN1CCCC1 1P00IBN6 [0,0,0,1,0,0|3,0,0]=4 1679 B6R1.2 NN1CCCC1 1P01B8Y3 [0,0,0,1,0,0|3,0,0]=4 1680 B6R1.2 N[C@@H]1CNCC1 1P000CB6 [0,0,0,1,0,0|2,0,1]=4 1681 B6R1.2 N[C@@H]1CNCC1 1P000YFR [0,0,0,1,0,0|2,0,1]=4 1682 B6R1.2 N[C@@H]1COCC1 1P002A0T [0,0,0,1,0,0|1,1,1]=4 1683 B6R1.2 N[C@@H]1COCC1 1P008T33 [0,0,0,1,0,0|1,1,1]=4 1684 B6R1.2 N[C@H]1CNCC1 1P000CB7 [0,0,0,1,0,0|2,0,1]=4 1685 B6R1.2 N[C@H]1CNCC1 1P000CB8 [0,0,0,1,0,0|2,0,1]=4 1686 B6R1.2 N[C@H]1COCC1 1P0039FG [0,0,0,1,0,0|1,1,1]=4 1687 B6R1.2 N[C@H]1COCC1 1P0039US [0,0,0,1,0,0|1,1,1]=4 1688 B6R1.2 O=C1CCCC1 1P000QI3 [0,0,0,1,0,0|1,0,0]=2 1689 B6R1.2 O=C1CCCN1 1P0033WH [0,0,0,1,0,0|2,0,0]=3 1690 B6R1.2 O=C1CCCN1 1P003IDZ [0,0,0,1,0,0|2,0,0]=3 1691 B6R1.2 O=C1CCCS1 1P0001YH [0,0,0,1,0,0|2,0,0]=3 1692 B6R1.2 O=C1CNCC1 1P003KD3 [0,0,0,1,0,0|1,0,0]=2 1693 B6R1.2 O=C1COCC1 1P002LZR [0,0,0,1,0,0|0,1,0]=2 1694 B6R1.2 O=C1CSCC1 1P0001YK [0,0,0,1,0,0|0,0,0]=1 1695 B6R1.2 O=C1NCCN1 1P000QI2 [0,0,0,1,0,0|3,0,0]=4 1696 B6R1.2 O=C1NCCN1 1P0032QH [0,0,0,1,0,0|3,0,0]=4 1697 B6R1.2 O=C1NCCO1 1P00I9C8 [0,0,0,1,0,0|3,0,0]=4 1698 B6R1.2 O=C1OCCO1 1P003QYT [0,0,0,1,0,0|3,0,0]=4 1699 B6R1.2 O=C1OCCS1 1P007GZO [0,0,0,1,0,0|3,0,0]=4 1700 B6R1.2 O=P1CC=CC1 1P028B8Y [0,0,0,1,0,0|2,0,1]=4 1701 B6R1.2 O=P1CCCC1 1P020LSS [0,0,0,1,0,0|2,0,0]=3 1702 B6R1.2 O=S1CCCC1 1P001S1X [0,0,0,1,0,0|2,0,0]=3 1703 B6R1.2 O=c1ccs[nH]1 1P0001YJ [0,0,0,1,0,0|1,0,2]=4 1704 B6R1.2 OC1CCCC1 1P0037C1 [0,0,0,1,0,0|1,0,2]=4 1705 B6R1.2 OC1CCCC1 1P0072E6 [0,0,0,1,0,0|1,0,2]=4 1706 B6R1.2 OC1CNCC1 1P00348V [0,0,0,1,0,0|1,0,2]=4 1707 B6R1.2 OC1CNCC1 1P003K1N [0,0,0,1,0,0|1,0,2]=4 1708 B6R1.2 OC1COCC1 1P003K1O [0,0,0,1,0,0|0,1,2]=4 1709 B6R1.2 OC1CSCC1 1P00C6QJ [0,0,0,1,0,0|0,0,2]=3 1710 B6R1.2 O[C@@H]1CNCC1 1P0001TH [0,0,0,1,0,0|1,0,2]=4 1711 B6R1.2 O[C@@H]1CNCC1 1P0017WD [0,0,0,1,0,0|1,0,2]=4 1712 B6R1.2 O[C@@H]1COCC1 1P0036VL [0,0,0,1,0,0|0,1,2]=4 1713 B6R1.2 O[C@@H]1CSCC1 1P01C72F [0,0,0,1,0,0|0,0,2]=3 1714 B6R1.2 O[C@H]1CNCC1 1P0032UB [0,0,0,1,0,0|1,0,2]=4 1715 B6R1.2 O[C@H]1CNCC1 1P007MBD [0,0,0,1,0,0|1,0,2]=4 1716 B6R1.2 O[C@H]1COCC1 1P0032UA [0,0,0,1,0,0|0,1,2]=4 1717 B6R1.2 O[C@H]1CSCC1 1P0003PO [0,0,0,1,0,0|0,0,2]=3 1718 B6R1.2 S=C1CCCN1 1P002M49 [0,0,0,1,0,0|2,1,0]=4 1719 B6R1.2 SC1CCCC1 1P00354P [0,0,0,1,0,0|1,1,1]=4 1720 B6R1.2 SC1CNCC1 1P01PP87 [0,0,0,1,0,0|1,1,1]=4 1721 B6R1.2 SC1COCC1 1P01BE72 [0,0,0,1,0,0|0,2,1]=4 1722 B6R1.2 SC1CSCC1 1P01EJ6I [0,0,0,1,0,0|0,1,1]=3 1723 B6R1.2 S[C@@H]1CNCC1 1P020ALT [0,0,0,1,0,0|1,1,1]=4 1724 B6R1.2 [O-]1C(=O)CS[Ca+2]1 1P00BND7 [0,0,0,1,0,0|2,0,0]=3 1725 B6R1.3 CNCC1CC1 1P002EF9 [0,0,0,1,0,0|2,0,1]=4 1726 B6R1.3 CNCC1CC1 1P00G3U7 [0,0,0,1,0,0|2,0,1]=4 1727 B6R1.3 COCC1CO1 1P0035FM [0,0,0,1,0,0|0,1,2]=4 1728 B6R1.3 COC[C@@H]1CO1 1P003CYJ [0,0,0,1,0,0|0,1,2]=4 1729 B6R1.3 COC[C@H]1CO1 1P003CK3 [0,0,0,1,0,0|0,1,2]=4 1730 B6R1.3 CSCC1CO1 1P00704L [0,0,0,1,0,0|0,0,2]=3 1731 B6R1.5 BrC1CC(=C)C1 1P00DHX9 [0,0,0,1,0,0|3,0,0]=4 1732 B6R1.5 BrC1CC(=O)C1 1P003AKZ [0,0,0,1,0,0|2,0,0]=3 1733 B6R1.5 C=C1CC(=O)O1 1P01DL13 [0,0,0,1,0,0|2,0,1]=4 1734 B6R1.5 CC1CC(=O)C1 1P000PMX [0,0,0,1,0,0|1,0,0]=2 1735 B6R1.5 CC1CC(=O)O1 1P00319M [0,0,0,1,0,0|2,0,0]=3 1736 B6R1.5 CC1CC(C1)Br 1P0289VS [0,0,0,1,0,0|2,0,1]=4 1737 B6R1.5 CC1CC(C1)N 1P00GUYQ [0,0,0,1,0,0|2,0,1]=4 1738 B6R1.5 CC1CC(C1)O 1P002KO3 [0,0,0,1,0,0|1,0,2]=4 1739 B6R1.5 CC1CC(C1)S 1P0291HQ [0,0,0,1,0,0|1,1,1]=4 1740 B6R1.5 CC1CC(N1)C 1P01BELR [0,0,0,1,0,0|2,0,1]=4 1741 B6R1.5 CN1CC(=O)C1 1P0023MN [0,0,0,1,0,0|1,0,0]=2 1742 B6R1.5 C[C@@H]1CC(=O)N1 1P028IFA [0,0,0,1,0,0|2,0,0]=3 1743 B6R1.5 C[C@@H]1C[C@@H](C1)N 1P008ZOB [0,0,0,1,0,0|2,0,1]=4 1744 B6R1.5 C[C@@H]1C[C@H](C1)N 1P01JUS2 [0,0,0,1,0,0|2,0,1]=4 1745 B6R1.5 C[C@@H]1C[C@H](N1)C 1P01JUK3 [0,0,0,1,0,0|2,0,1]=4 1746 B6R1.5 C[C@H]1CC(=O)N1 1P007L72 [0,0,0,1,0,0|2,0,0]=3 1747 B6R1.5 C[C@H]1C[C@@H](N1)C 1P01KAAM [0,0,0,1,0,0|2,0,1]=4 1748 B6R1.5 ClC1CN(C1)C 1P01NHZ0 [0,0,0,1,0,0|2,0,1]=4 1749 B6R1.5 FC1CC(=O)C1 1P00HWHO [0,0,0,1,0,0|2,0,0]=3 1750 B6R1.5 NC1CC(=C)C1 1P01FZJT [0,0,0,1,0,0|3,0,0]=4 1751 B6R1.5 NC1CC(=O)C1 1P007XUV [0,0,0,1,0,0|2,0,0]=3 1752 B6R1.5 NC1CN(C1)C 1P000AMX [0,0,0,1,0,0|2,0,1]=4 1753 B6R1.5 NC1CN(C1)C 1P0038ZB [0,0,0,1,0,0|2,0,1]=4 1754 B6R1.5 OC1CC(=O)C1 1P0039UW [0,0,0,1,0,0|2,0,0]=3 1755 B6R1.5 OC1CN(C1)C 1P0039HZ [0,0,0,1,0,0|1,0,2]=4 1756 B6R1.5 OC1CN(C1)C 1P003JZR [0,0,0,1,0,0|1,0,2]=4 1757 B6R1.8 CC[C@@H]1C[C@H]1N 1P01B7ZY [0,0,0,1,0,0|2,0,1]=4 1758 B6R1.8 CNC1CC1C 1P028KR6 [0,0,0,1,0,0|2,0,1]=4 1759 B6R1.8 CN[C@@H]1C[C@H]1C 1P02831Q [0,0,0,1,0,0|2,0,1]=4 1760 B6R1.8 COC1CC1Br 1P024UQF [0,0,0,1,0,0|1,1,1]=4 1761 B6R1.8 CO[C@@H]1C[C@@H]1N 1P01JVBB [0,0,0,1,0,0|1,1,1]=4 1762 B6R1.8 CO[C@@H]1C[C@H]1N 1P01JVNN [0,0,0,1,0,0|1,1,1]=4 1763 B6R1.8 CO[C@H]1C[C@@H]1N 1P01JVMZ [0,0,0,1,0,0|1,1,1]=4 1764 B6R1.8 CO[C@H]1C[C@H]1N 1P01JV9G [0,0,0,1,0,0|1,1,1]=4 1765 B6R1.8 NCC1CC1=C 1P027Z3Q [0,0,0,1,0,0|3,0,0]=4 1766 B6R1.8 N[C@H]1[C@H](OC)C1 1P01KJV9 [0,0,0,1,0,0|1,1,1]=4 1767 B6R1.8 OCC1CC1=C 1P002YEX [0,0,0,1,0,0|3,0,0]=4 1768 B6R1.8 OC[C@H]1CC1=C 1P001B0T [0,0,0,1,0,0|3,0,0]=4 1769 B6R1.9 CC1CC1(C)N 1P01BVB7 [0,0,0,1,0,0|2,0,1]=4 1770 B6R1.9 CC1CC1(C)O 1P01A4J7 [0,0,0,1,0,0|1,0,2]=4 1771 B6R1.9 C[C@@H]1C[C@@]1(C)N 1P0291YD [0,0,0,1,0,0|2,0,1]=4 1772 B6R1.9 C[C@H]1C[C@]1(C)N 1P027XYQ [0,0,0,1,0,0|2,0,1]=4 1773 B6R1.10 CC1(C)CNC1 1P003ACO [0,0,0,1,0,0|2,0,1]=4 1774 B6R1.10 CC1(Cl)CNC1 1P0208M5 [0,0,0,1,0,0|2,0,1]=4 1775 B6R1.10 CC1(F)CNC1 1P00IL88 [0,0,0,1,0,0|2,0,1]=4 1776 B6R1.10 CC1(F)CNC1 1P024TTG [0,0,0,1,0,0|2,0,1]=4 1777 B6R1.10 CC1(N)CCC1 1P0020HM [0,0,0,1,0,0|2,0,1]=4 1778 B6R1.10 CC1(N)CCC1 1P0076YA [0,0,0,1,0,0|2,0,1]=4 1779 B6R1.10 CC1(N)CNC1 1P000N1L [0,0,0,1,0,0|2,0,1]=4 1780 B6R1.10 CC1(N)COC1 1P00127T [0,0,0,1,0,0|1,1,1]=4 1781 B6R1.10 CC1(N)COC1 1P003KBA [0,0,0,1,0,0|1,1,1]=4 1782 B6R1.10 CC1(N)CSC1 1P00ILA6 [0,0,0,1,0,0|1,0,1]=3 1783 B6R1.10 CC1(O)CCC1 1P002DPT [0,0,0,1,0,0|1,0,2]=4 1784 B6R1.10 CC1(O)CNC1 1P000N1M [0,0,0,1,0,0|1,0,2]=4 1785 B6R1.10 CC1(O)CNC1 1P00BI73 [0,0,0,1,0,0|1,0,2]=4 1786 B6R1.10 CC1(O)COC1 1P001TW8 [0,0,0,1,0,0|0,1,2]=4 1787 B6R1.10 CC1(O)CSC1 1P002VCV [0,0,0,1,0,0|0,0,2]=3 1788 B6R1.10 C[Si]1(Cl)CCC1 1P002NXP [0,0,0,1,0,0|2,1,0]=4 1789 B6R1.10 N=S1(=O)CCC1 1P00IUEI [0,0,0,1,0,0|3,0,0]=4 1790 B6R1.10 O=S1(=O)CCC1 1P003V8T [0,0,0,1,0,0|3,0,0]=4 1791 B6R1.11 BrC(=C)C1CC1 1P0279S7 [0,0,0,1,0,0|2,0,1]=4 1792 B6R1.11 CC(=C)C1CC1 1P00DBGP [0,0,0,1,0,0|2,0,0]=3 1793 B6R1.11 CC(=O)C1CC1 1P00337Q [0,0,0,1,0,0|1,0,0]=2 1794 B6R1.11 CC(=O)C1CO1 1P00DG4I [0,0,0,1,0,0|0,1,0]=2 1795 B6R1.11 CC(C1CC1)Cl 1P019U4F [0,0,0,1,0,0|2,0,1]=4 1796 B6R1.11 CC(C1CC1)N 1P003EQ8 [0,0,0,1,0,0|2,0,1]=4 1797 B6R1.11 CC(C1CC1)O 1P003EQ7 [0,0,0,1,0,0|1,0,2]=4 1798 B6R1.11 CC(C1CC1)S 1P00MDU5 [0,0,0,1,0,0|1,1,1]=4 1799 B6R1.11 CC(C1CO1)Br 1P00K7EQ [0,0,0,1,0,0|1,1,1]=4 1800 B6R1.11 CC(C1CO1)O 1P01ACSU [0,0,0,1,0,0|0,1,2]=4 1801 B6R1.11 CC(C1OC1)C 1P00331K [0,0,0,1,0,0|1,1,1]=4 1802 B6R1.11 CC([C@@H]1NC1)C 1P028Z6M [0,0,0,1,0,0|2,0,1]=4 1803 B6R1.11 CC([C@H]1NC1)C 1P028JDK [0,0,0,1,0,0|2,0,1]=4 1804 B6R1.11 CN(C1CC1)N 1P01BHC4 [0,0,0,1,0,0|3,0,0]=4 1805 B6R1.11 C[C@@H](C1CC1)N 1P003AG5 [0,0,0,1,0,0|2,0,1]=4 1806 B6R1.11 C[C@@H](C1CC1)O 1P00DG11 [0,0,0,1,0,0|1,0,2]=4 1807 B6R1.11 C[C@H](C1CC1)N 1P0032UZ [0,0,0,1,0,0|2,0,1]=4 1808 B6R1.11 C[C@H](C1CC1)N 1P00AMHW [0,0,0,1,0,0|2,0,1]=4 1809 B6R1.11 C[C@H](C1CC1)O 1P00EFW5 [0,0,0,1,0,0|1,0,2]=4 1810 B6R1.11 ClC(=C)C1CO1 1P007I10 [0,0,0,1,0,0|1,1,1]=4 1811 B6R1.11 ClC(=O)C1CC1 1P003PNF [0,0,0,1,0,0|2,0,0]=3 1812 B6R1.11 ClS(=O)C1CC1 1P01C7TR [0,0,0,1,0,0|3,0,0]=4 1813 B6R1.11 NC(=N)C1CC1 1P00393B [0,0,0,1,0,0|3,0,0]=4 1814 B6R1.11 NC(=O)C1CC1 1P003PNG [0,0,0,1,0,0|2,0,0]=3 1815 B6R1.11 NC(=S)C1CC1 1P00291O [0,0,0,1,0,0|2,1,0]=4 1816 B6R1.11 NS(=O)C1CC1 1P0221LR [0,0,0,1,0,0|3,0,0]=4 1817 B6R1.11 OC(=O)C1CC1 1P0021R4 [0,0,0,1,0,0|2,0,0]=3 1818 B6R1.11 OC(=O)C1CO1 1P003TZG [0,0,0,1,0,0|1,1,0]=3 1819 B6R1.11 [O-]C(=O)C1CO1 1P0035ZB [0,0,0,1,0,0|1,1,0]=3 1820 B6R1.11 [O-]C(=O)[C@@H]1CO1 1P0038VO [0,0,0,1,0,0|1,1,0]=3 1821 B6R1.11 [O-]C(=O)[C@H]1CO1 1P004XZC [0,0,0,1,0,0|1,1,0]=3 1822 B6R1.11 [O-]S(=O)C1CC1 1P003USU [0,0,0,1,0,0|3,0,0]=4 1823 B6R1.11 [O-][N+](=O)C1CC1 1P000UMD [0,0,0,1,0,0|3,0,0]=4 1824 B3R0.1 BrCC=O 1P00AOKP [2,0,0,0,0,0|1,0,0]=3 1825 B3R0.1 CC=CBr 1P003EJ6 [2,0,0,0,0,0|1,0,1]=4 1826 B3R0.1 CCC=O 1P000KDZ [2,0,0,0,0,0|0,0,0]=2 1827 B3R0.1 CCCBr 1P003370 [2,0,0,0,0,0|1,0,1]=4 1828 B3R0.1 CCCI 1P003EWL [2,0,0,0,0,0|1,0,1]=4 1829 B3R0.1 CCCN 1P003TSK [2,0,0,0,0,0|1,0,1]=4 1830 B3R0.1 CCCN 1P00AQWV [2,0,0,0,0,0|1,0,1]=4 1831 B3R0.1 CCCN 1P00E0IW [2,0,0,0,0,0|1,0,1]=4 1832 B3R0.1 CCCO 1P0033AN [2,0,0,0,0,0|0,0,2]=4 1833 B3R0.1 CCC[CH2] 1P003OTI [2,0,0,0,0,0|0,0,2]=4 1834 B3R0.1 CCC[CH2] 1P00C3KK [2,0,0,0,0,0|0,0,2]=4 1835 B3R0.1 CCNN 1P0037OA [2,0,0,0,0,0|2,0,0]=4 1836 B3R0.1 CCNN 1P00ACTJ [2,0,0,0,0,0|2,0,0]=4 1837 B3R0.1 CCNN 1P019LMQ [2,0,0,0,0,0|2,0,0]=4 1838 B3R0.1 CCNO 1P0035UF [2,0,0,0,0,0|1,0,1]=4 1839 B3R0.1 CCON 1P003QFJ [2,0,0,0,0,0|1,1,0]=4 1840 B3R0.1 CCON 1P00EJ20 [2,0,0,0,0,0|1,1,0]=4 1841 B3R0.1 CC[Mg]Br 1P0035DY [2,0,0,0,0,0|2,0,0]=4 1842 B3R0.1 CC[Mg]Cl 1P003R04 [2,0,0,0,0,0|2,0,0]=4 1843 B3R0.1 CC[N-]C 1P0021R9 [2,0,0,0,0,0|1,0,0]=3 1844 B3R0.1 CNC=O 1P000KDY [2,0,0,0,0,0|1,0,0]=3 1845 B3R0.1 CNC=S 1P002E6Y [2,0,0,0,0,0|1,1,0]=4 1846 B3R0.1 CNCC 1P003TOC [2,0,0,0,0,0|1,0,0]=3 1847 B3R0.1 CNCC 1P00IBHJ [2,0,0,0,0,0|1,0,0]=3 1848 B3R0.1 CNNC 1P00314J [2,0,0,0,0,0|2,0,0]=4 1849 B3R0.1 COCBr 1P000V46 [2,0,0,0,0,0|1,1,0]=4 1850 B3R0.1 CONC 1P0035SE [2,0,0,0,0,0|1,1,0]=4 1851 B3R0.1 CONC 1P008T48 [2,0,0,0,0,0|1,1,0]=4 1852 B3R0.1 CSC#C 1P00056I [2,0,0,0,0,0|0,0,2]=4 1853 B3R0.1 CSC#N 1P00DECX [2,0,0,0,0,0|1,0,1]=4 1854 B3R0.1 CSC=C 1P0023XT [2,0,0,0,0,0|0,0,1]=3 1855 B3R0.1 CSCC 1P003SL2 [2,0,0,0,0,0|0,0,0]=2 1856 B3R0.1 CSCCl 1P003PAT [2,0,0,0,0,0|1,0,0]=3 1857 B3R0.1 C[Se][Se]C 1P003Q2L [2,0,0,0,0,0|1,1,0]=4 1858 B3R0.1 C\C=C/Br 1P003PEF [2,0,0,0,0,0|1,0,1]=4 1859 B3R0.1 FCCS 1P0288D0 [2,0,0,0,0,0|1,0,1]=4 1860 B3R0.1 ICC=C 1P0034WJ [2,0,0,0,0,0|1,0,1]=4 1861 B3R0.1 NCC=C 1P0001ME [2,0,0,0,0,0|1,0,1]=4 1862 B3R0.1 NCCS 1P0033KV [2,0,0,0,0,0|1,0,1]=4 1863 B3R0.1 NCCS 1P0037H5 [2,0,0,0,0,0|1,0,1]=4 1864 B3R0.1 NNC=O 1P0035F5 [2,0,0,0,0,0|2,0,0]=4 1865 B3R0.1 O=CC#C 1P00EADX [2,0,0,0,0,0|0,0,2]=4 1866 B3R0.1 O=CC=O 1P007TP3 [2,0,0,0,0,0|0,1,1]=4 1867 B3R0.1 OCCS 1P0037WO [2,0,0,0,0,0|0,0,2]=4 1868 B3R0.1 SCC=C 1P003ID2 [2,0,0,0,0,0|0,0,1]=3 1869 B3R0.1 SCCBr 1P00FHRB [2,0,0,0,0,0|1,0,1]=4 1870 B3R0.1 SCCS 1P00331H [2,0,0,0,0,0|0,1,1]=4 1871 B3R0.1 [C-]#[N+]CC 1P00EBTM [2,0,0,0,0,0|1,0,1]=4 1872 B3R0.1 [CH2-]CCC 1P003VLM [2,0,0,0,0,0|0,0,2]=4 1873 B3R0.1 [O-]CCC 1P00375V [2,0,0,0,0,0|0,0,2]=4 1874 B3R0.1 [O-]CCC 1P006XBD [2,0,0,0,0,0|0,0,2]=4 1875 B3R0.2 BN(C)C 1P003Q3O [2,0,0,0,0,0|2,0,0]=4 1876 B3R0.2 C(=O)([2H])[2H] 1P001X6E [2,0,0,0,0,0|2,0,0]=4 1877 B3R0.2 CC(=C)Br 1P003H9H [2,0,0,0,0,0|1,0,1]=4 1878 B3R0.2 CC(=N)N 1P000LTV [2,0,0,0,0,0|2,0,0]=4 1879 B3R0.2 CC(=N)N 1P00AQWL [2,0,0,0,0,0|2,0,0]=4 1880 B3R0.2 CC(=N)N 1P00C7IS [2,0,0,0,0,0|2,0,0]=4 1881 B3R0.2 CC(=N)N 1P01FNSE [2,0,0,0,0,0|2,0,0]=4 1882 B3R0.2 CC(=O)Br 1P003O4B [2,0,0,0,0,0|1,0,0]=3 1883 B3R0.2 CC(=O)I 1P003O4D [2,0,0,0,0,0|1,0,0]=3 1884 B3R0.2 CC(=O)N 1P003O32 [2,0,0,0,0,0|1,0,0]=3 1885 B3R0.2 CC(=O)N 1P007M0A [2,0,0,0,0,0|1,0,0]=3 1886 B3R0.2 CC(=O)O 1P000R54 [2,0,0,0,0,0|0,1,0]=3 1887 B3R0.2 CC(=O)O 1P0011AC [2,0,0,0,0,0|0,1,0]=3 1888 B3R0.2 CC(=O)O 1P001AGE [2,0,0,0,0,0|0,1,0]=3 1889 B3R0.2 CC(=O)O 1P002JJY [2,0,0,0,0,0|0,1,0]=3 1890 B3R0.2 CC(=O)O 1P0035F2 [2,0,0,0,0,0|0,1,0]=3 1891 B3R0.2 CC(=O)O 1P0036MT [2,0,0,0,0,0|0,1,0]=3 1892 B3R0.2 CC(=O)O 1P003PIJ [2,0,0,0,0,0|0,1,0]=3 1893 B3R0.2 CC(=O)O 1P003QZL [2,0,0,0,0,0|0,1,0]=3 1894 B3R0.2 CC(=O)O 1P00BXZ6 [2,0,0,0,0,0|0,1,0]=3 1895 B3R0.2 CC(=O)O 1P00D56H [2,0,0,0,0,0|0,1,0]=3 1896 B3R0.2 CC(=O)O 1P00ILYO [2,0,0,0,0,0|0,1,0]=3 1897 B3R0.2 CC(=O)O 1P00JKYL [2,0,0,0,0,0|0,1,0]=3 1898 B3R0.2 CC(=O)O 1P01DOOL [2,0,0,0,0,0|0,1,0]=3 1899 B3R0.2 CC(=S)N 1P00365G [2,0,0,0,0,0|1,0,1]=4 1900 B3R0.2 CC(=S)O 1P00365H [2,0,0,0,0,0|0,0,2]=4 1901 B3R0.2 CC(Br)C 1P0035IR [2,0,0,0,0,0|1,0,1]=4 1902 B3R0.2 CC(N)C 1P001OLC [2,0,0,0,0,0|1,0,1]=4 1903 B3R0.2 CC(N)C 1P00IMYX [2,0,0,0,0,0|1,0,1]=4 1904 B3R0.2 CC(O)C 1P001MMY [2,0,0,0,0,0|0,0,2]=4 1905 B3R0.2 CC(O)C 1P003OFY [2,0,0,0,0,0|0,0,2]=4 1906 B3R0.2 CC(O)C 1P007YD2 [2,0,0,0,0,0|0,0,2]=4 1907 B3R0.2 CC(O)C 1P00BEMS [2,0,0,0,0,0|0,0,2]=4 1908 B3R0.2 CC(S)C 1P003ICZ [2,0,0,0,0,0|0,1,1]=4 1909 B3R0.2 CN(C)C 1P003UXO [2,0,0,0,0,0|2,0,0]=4 1910 B3R0.2 CN(C)C 1P003VKD [2,0,0,0,0,0|2,0,0]=4 1911 B3R0.2 CN(N)C 1P003DPD [2,0,0,0,0,0|2,0,0]=4 1912 B3R0.2 CN(O)C 1P001X7Y [2,0,0,0,0,0|1,0,1]=4 1913 B3R0.2 CP(=O)C 1P00371X [2,0,0,0,0,0|1,0,0]=3 1914 B3R0.2 CP(C)C 1P003VKV [2,0,0,0,0,0|2,0,0]=4 1915 B3R0.2 CP(C)C 1P00AQDD [2,0,0,0,0,0|2,0,0]=4 1916 B3R0.2 CP(C)C 1P00I3BS [2,0,0,0,0,0|2,0,0]=4 1917 B3R0.2 CS(=O)C 1P0037AO [2,0,0,0,0,0|1,0,0]=3 1918 B3R0.2 CS(=O)Cl 1P005R2U [2,0,0,0,0,0|2,0,0]=4 1919 B3R0.2 CS(=O)N 1P0035LH [2,0,0,0,0,0|2,0,0]=4 1920 B3R0.2 C[Ga](C)C 1P001K3T [2,0,0,0,0,0|2,0,0]=4 1921 B3R0.2 C[In](C)C 1P007J3M [2,0,0,0,0,0|2,0,0]=4 1922 B3R0.2 C[N+](=C)C 1P003QEY [2,0,0,0,0,0|2,0,0]=4 1923 B3R0.2 C[Pt+](C)C 1P003RHM [2,0,0,0,0,0|2,0,0]=4 1924 B3R0.2 C[S+](Br)C 1P003P14 [2,0,0,0,0,0|2,0,0]=4 1925 B3R0.2 C[S+](C)C 1P0031Y2 [2,0,0,0,0,0|2,0,0]=4 1926 B3R0.2 C[S+](C)C 1P003VLA [2,0,0,0,0,0|2,0,0]=4 1927 B3R0.2 C[Se](=O)C 1P00DVQU [2,0,0,0,0,0|1,0,0]=3 1928 B3R0.2 C[Sn](=O)C 1P007OFO [2,0,0,0,0,0|1,0,0]=3 1929 B3R0.2 ClC(=O)Cl 1P006VD2 [2,0,0,0,0,0|2,0,0]=4 1930 B3R0.2 ClC(=O)[Au] 1P003PA1 [2,0,0,0,0,0|2,0,0]=4 1931 B3R0.2 NC(=O)N 1P003690 [2,0,0,0,0,0|2,0,0]=4 1932 B3R0.2 N[13C](=O)N 1P00IASO [2,0,0,0,0,0|2,0,0]=4 1933 B3R0.2 OC(=O)O 1P0013DE [2,0,0,0,0,0|1,1,0]=4 1934 B3R0.2 OC(=O)O 1P001M71 [2,0,0,0,0,0|1,1,0]=4 1935 B3R0.2 OC(=O)O 1P002KHE [2,0,0,0,0,0|1,1,0]=4 1936 B3R0.2 OC(=O)O 1P003P80 [2,0,0,0,0,0|1,1,0]=4 1937 B3R0.2 OC(=O)O 1P00IKVL [2,0,0,0,0,0|1,1,0]=4 1938 B3R0.2 O[13C](=O)O 1P004M1T [2,0,0,0,0,0|1,1,0]=4 1939 B3R0.2 [13CH3]C(=O)O 1P001P4Q [2,0,0,0,0,0|0,1,0]=3 1940 B3R0.2 [15NH2]C(=O)[15NH2] 1P002J3S [2,0,0,0,0,0|2,0,0]=4 1941 B3R0.2 [15NH2][13C](=O)[15NH2] 1P00EE58 [2,0,0,0,0,0|2,0,0]=4 1942 B3R0.2 [BH3-]C(=O)[O-] 1P00JO85 [2,0,0,0,0,0|1,1,0]=4 1943 B3R0.2 [CH-]=C(C)C 1P00FGTR [2,0,0,0,0,0|1,0,0]=3 1944 B3R0.2 [CH2-]C(=C)C 1P009ECO [2,0,0,0,0,0|1,0,1]=4 1945 B3R0.2 [O-]C(=O)C 1P000EWY [2,0,0,0,0,0|0,1,0]=3 1946 B3R0.2 [O-]C(=O)C 1P000WZ6 [2,0,0,0,0,0|0,1,0]=3 1947 B3R0.2 [O-]C(=O)C 1P001QE8 [2,0,0,0,0,0|0,1,0]=3 1948 B3R0.2 [O-]C(=O)C 1P001T3R [2,0,0,0,0,0|0,1,0]=3 1949 B3R0.2 [O-]C(=O)C 1P002JR8 [2,0,0,0,0,0|0,1,0]=3 1950 B3R0.2 [O-]C(=O)C 1P002R03 [2,0,0,0,0,0|0,1,0]=3 1951 B3R0.2 [O-]C(=O)C 1P0030OU [2,0,0,0,0,0|0,1,0]=3 1952 B3R0.2 [O-]C(=O)C 1P00326R [2,0,0,0,0,0|0,1,0]=3 1953 B3R0.2 [O-]C(=O)C 1P00351R [2,0,0,0,0,0|0,1,0]=3 1954 B3R0.2 [O-]C(=O)C 1P00353M [2,0,0,0,0,0|0,1,0]=3 1955 B3R0.2 [O-]C(=O)C 1P0035L7 [2,0,0,0,0,0|0,1,0]=3 1956 B3R0.2 [O-]C(=O)C 1P0035L9 [2,0,0,0,0,0|0,1,0]=3 1957 B3R0.2 [O-]C(=O)C 1P0035LA [2,0,0,0,0,0|0,1,0]=3 1958 B3R0.2 [O-]C(=O)C 1P0035WS [2,0,0,0,0,0|0,1,0]=3 1959 B3R0.2 [O-]C(=O)C 1P00361O [2,0,0,0,0,0|0,1,0]=3 1960 B3R0.2 [O-]C(=O)C 1P00369N [2,0,0,0,0,0|0,1,0]=3 1961 B3R0.2 [O-]C(=O)C 1P003784 [2,0,0,0,0,0|0,1,0]=3 1962 B3R0.2 [O-]C(=O)C 1P0037JI [2,0,0,0,0,0|0,1,0]=3 1963 B3R0.2 [O-]C(=O)C 1P0037KC [2,0,0,0,0,0|0,1,0]=3 1964 B3R0.2 [O-]C(=O)C 1P0037P4 [2,0,0,0,0,0|0,1,0]=3 1965 B3R0.2 [O-]C(=O)C 1P003ODR [2,0,0,0,0,0|0,1,0]=3 1966 B3R0.2 [O-]C(=O)C 1P003OFF [2,0,0,0,0,0|0,1,0]=3 1967 B3R0.2 [O-]C(=O)C 1P003OUB [2,0,0,0,0,0|0,1,0]=3 1968 B3R0.2 [O-]C(=O)C 1P003PHP [2,0,0,0,0,0|0,1,0]=3 1969 B3R0.2 [O-]C(=O)C 1P003PHQ [2,0,0,0,0,0|0,1,0]=3 1970 B3R0.2 [O-]C(=O)C 1P003REN [2,0,0,0,0,0|0,1,0]=3 1971 B3R0.2 [O-]C(=O)C 1P003RPL [2,0,0,0,0,0|0,1,0]=3 1972 B3R0.2 [O-]C(=O)C 1P003RRG [2,0,0,0,0,0|0,1,0]=3 1973 B3R0.2 [O-]C(=O)C 1P003RRH [2,0,0,0,0,0|0,1,0]=3 1974 B3R0.2 [O-]C(=O)C 1P003RV2 [2,0,0,0,0,0|0,1,0]=3 1975 B3R0.2 [O-]C(=O)C 1P003TJZ [2,0,0,0,0,0|0,1,0]=3 1976 B3R0.2 [O-]C(=O)C 1P003ULV [2,0,0,0,0,0|0,1,0]=3 1977 B3R0.2 [O-]C(=O)C 1P003UVW [2,0,0,0,0,0|0,1,0]=3 1978 B3R0.2 [O-]C(=O)C 1P003UW9 [2,0,0,0,0,0|0,1,0]=3 1979 B3R0.2 [O-]C(=O)C 1P003V2Z [2,0,0,0,0,0|0,1,0]=3 1980 B3R0.2 [O-]C(=O)C 1P003VA8 [2,0,0,0,0,0|0,1,0]=3 1981 B3R0.2 [O-]C(=O)C 1P005IJZ [2,0,0,0,0,0|0,1,0]=3 1982 B3R0.2 [O-]C(=O)C 1P005T7L [2,0,0,0,0,0|0,1,0]=3 1983 B3R0.2 [O-]C(=O)C 1P008UKT [2,0,0,0,0,0|0,1,0]=3 1984 B3R0.2 [O-]C(=O)C 1P00HY06 [2,0,0,0,0,0|0,1,0]=3 1985 B3R0.2 [O-]C(=O)C 1P00IAP7 [2,0,0,0,0,0|0,1,0]=3 1986 B3R0.2 [O-]C(=O)C 1P00IB5Y [2,0,0,0,0,0|0,1,0]=3 1987 B3R0.2 [O-]C(=O)C 1P00IBAT [2,0,0,0,0,0|0,1,0]=3 1988 B3R0.2 [O-]C(=O)C 1P00IKWW [2,0,0,0,0,0|0,1,0]=3 1989 B3R0.2 [O-]C(=O)C 1P01DOOH [2,0,0,0,0,0|0,1,0]=3 1990 B3R0.2 [O-]C(=O)C 1P01WTSB [2,0,0,0,0,0|0,1,0]=3 1991 B3R0.2 [O-]C(=O)N 1P007BXH [2,0,0,0,0,0|1,1,0]=4 1992 B3R0.2 [O-]C(=O)O 1P0035YU [2,0,0,0,0,0|1,1,0]=4 1993 B3R0.2 [O-]C(=O)O 1P00388R [2,0,0,0,0,0|1,1,0]=4 1994 B3R0.2 [O-]C(=O)O 1P0039FX [2,0,0,0,0,0|1,1,0]=4 1995 B3R0.2 [O-]C(=O)O 1P003RVA [2,0,0,0,0,0|1,1,0]=4 1996 B3R0.2 [O-]C(=O)O 1P0077K1 [2,0,0,0,0,0|1,1,0]=4 1997 B3R0.2 [O-]C(=O)[2H] 1P00C5WO [2,0,0,0,0,0|1,1,0]=4 1998 B3R0.2 [O-]C(=O)[O-] 1P0002V3 [2,0,0,0,0,0|1,1,0]=4 1999 B3R0.2 [O-]C(=O)[O-] 1P000RK5 [2,0,0,0,0,0|1,1,0]=4 2000 B3R0.2 [O-]C(=O)[O-] 1P001UH8 [2,0,0,0,0,0|1,1,0]=4 2001 B3R0.2 [O-]C(=O)[O-] 1P002M9Q [2,0,0,0,0,0|1,1,0]=4 2002 B3R0.2 [O-]C(=O)[O-] 1P002NIZ [2,0,0,0,0,0|1,1,0]=4 2003 B3R0.2 [O-]C(=O)[O-] 1P002ZMC [2,0,0,0,0,0|1,1,0]=4 2004 B3R0.2 [O-]C(=O)[O-] 1P0034Y4 [2,0,0,0,0,0|1,1,0]=4 2005 B3R0.2 [O-]C(=O)[O-] 1P00351I [2,0,0,0,0,0|1,1,0]=4 2006 B3R0.2 [O-]C(=O)[O-] 1P0035L8 [2,0,0,0,0,0|1,1,0]=4 2007 B3R0.2 [O-]C(=O)[O-] 1P0035YY [2,0,0,0,0,0|1,1,0]=4 2008 B3R0.2 [O-]C(=O)[O-] 1P00362H [2,0,0,0,0,0|1,1,0]=4 2009 B3R0.2 [O-]C(=O)[O-] 1P00369O [2,0,0,0,0,0|1,1,0]=4 2010 B3R0.2 [O-]C(=O)[O-] 1P0036F5 [2,0,0,0,0,0|1,1,0]=4 2011 B3R0.2 [O-]C(=O)[O-] 1P0037S2 [2,0,0,0,0,0|1,1,0]=4 2012 B3R0.2 [O-]C(=O)[O-] 1P003B00 [2,0,0,0,0,0|1,1,0]=4 2013 B3R0.2 [O-]C(=O)[O-] 1P003OB3 [2,0,0,0,0,0|1,1,0]=4 2014 B3R0.2 [O-]C(=O)[O-] 1P003P3N [2,0,0,0,0,0|1,1,0]=4 2015 B3R0.2 [O-]C(=O)[O-] 1P003PHJ [2,0,0,0,0,0|1,1,0]=4 2016 B3R0.2 [O-]C(=O)[O-] 1P003PHK [2,0,0,0,0,0|1,1,0]=4 2017 B3R0.2 [O-]C(=O)[O-] 1P003PJX [2,0,0,0,0,0|1,1,0]=4 2018 B3R0.2 [O-]C(=O)[O-] 1P003R0X [2,0,0,0,0,0|1,1,0]=4 2019 B3R0.2 [O-]C(=O)[O-] 1P003R6D [2,0,0,0,0,0|1,1,0]=4 2020 B3R0.2 [O-]C(=O)[O-] 1P003RRQ [2,0,0,0,0,0|1,1,0]=4 2021 B3R0.2 [O-]C(=O)[O-] 1P003TF3 [2,0,0,0,0,0|1,1,0]=4 2022 B3R0.2 [O-]C(=O)[O-] 1P003ULX [2,0,0,0,0,0|1,1,0]=4 2023 B3R0.2 [O-]C(=O)[O-] 1P003USM [2,0,0,0,0,0|1,1,0]=4 2024 B3R0.2 [O-]C(=O)[O-] 1P003USN [2,0,0,0,0,0|1,1,0]=4 2025 B3R0.2 [O-]C(=O)[O-] 1P003VT9 [2,0,0,0,0,0|1,1,0]=4 2026 B3R0.2 [O-]C(=O)[O-] 1P003VTP [2,0,0,0,0,0|1,1,0]=4 2027 B3R0.2 [O-]C(=O)[O-] 1P004KF2 [2,0,0,0,0,0|1,1,0]=4 2028 B3R0.2 [O-]C(=O)[O-] 1P0065CX [2,0,0,0,0,0|1,1,0]=4 2029 B3R0.2 [O-]C(=O)[O-] 1P0079KL [2,0,0,0,0,0|1,1,0]=4 2030 B3R0.2 [O-]C(=O)[O-] 1P0081LU [2,0,0,0,0,0|1,1,0]=4 2031 B3R0.2 [O-]C(=O)[O-] 1P0086OD [2,0,0,0,0,0|1,1,0]=4 2032 B3R0.2 [O-]C(=O)[O-] 1P00BDMM [2,0,0,0,0,0|1,1,0]=4 2033 B3R0.2 [O-]C(=O)[O-] 1P00D01T [2,0,0,0,0,0|1,1,0]=4 2034 B3R0.2 [O-]C(=O)[O-] 1P00DCSY [2,0,0,0,0,0|1,1,0]=4 2035 B3R0.2 [O-]C(=O)[O-] 1P00EB2M [2,0,0,0,0,0|1,1,0]=4 2036 B3R0.2 [O-]C(=O)[O-] 1P00EDW8 [2,0,0,0,0,0|1,1,0]=4 2037 B3R0.2 [O-]C(=O)[O-] 1P00EDW9 [2,0,0,0,0,0|1,1,0]=4 2038 B3R0.2 [O-]C(=O)[O-] 1P00G9SD [2,0,0,0,0,0|1,1,0]=4 2039 B3R0.2 [O-]C(=O)[O-] 1P00IBQQ [2,0,0,0,0,0|1,1,0]=4 2040 B3R0.2 [O-]C(=O)[O-] 1P00IM29 [2,0,0,0,0,0|1,1,0]=4 2041 B3R0.2 [O-]C(=O)[O-] 1P00JN1H [2,0,0,0,0,0|1,1,0]=4 2042 B3R0.2 [O-]C(C)C 1P002KTZ [2,0,0,0,0,0|0,0,2]=4 2043 B3R0.2 [O-]C(C)C 1P0034X0 [2,0,0,0,0,0|0,0,2]=4 2044 B3R0.2 [O-]C(C)C 1P0036DB [2,0,0,0,0,0|0,0,2]=4 2045 B3R0.2 [O-]C(C)C 1P003PUL [2,0,0,0,0,0|0,0,2]=4 2046 B3R0.2 [O-]C(C)C 1P003VJH [2,0,0,0,0,0|0,0,2]=4 2047 B3R0.2 [O-]C(C)C 1P00I4OE [2,0,0,0,0,0|0,0,2]=4 2048 B3R0.2 [O-]S(=O)C 1P0028VY [2,0,0,0,0,0|1,1,0]=4 2049 B3R0.2 [O-][13C](=O)C 1P002NN0 [2,0,0,0,0,0|0,1,0]=3 2050 B3R0.2 [O-][13C](=O)[13CH3] 1P00EB1X [2,0,0,0,0,0|0,1,0]=3 2051 B3R0.2 [O-][13C](=O)[O-] 1P003OFJ [2,0,0,0,0,0|1,1,0]=4 2052 B3R0.2 [O-][13C](=O)[O-] 1P00GVQ7 [2,0,0,0,0,0|1,1,0]=4 2053 B3R0.2 [S-]C(=O)C 1P0035Z4 [2,0,0,0,0,0|0,0,1]=3 2054 B3R0.2 [S-]C(=S)C 1P027XF9 [2,0,0,0,0,0|0,1,1]=4 2055 B5R0.3 *CC(=O)O* 1P007NAW [1,1,0,0,0,0|1,1,0]=4 2056 B5R0.3 BrCC(=C)CBr 1P003JGS [1,1,0,0,0,0|2,0,0]=4 2057 B5R0.3 BrCC(=O)CBr 1P00521Z [1,1,0,0,0,0|1,0,0]=3 2058 B5R0.3 BrC[C@@H](CC)C 1P01FWR0 [1,1,0,0,0,0|1,0,1]=4 2059 B5R0.3 BrC\C(=C\Br)\C 1P028THF [1,1,0,0,0,0|2,0,0]=4 2060 B5R0.3 CC(=CCl)CS 1P01BI85 [1,1,0,0,0,0|1,0,0]=3 2061 B5R0.3 CC(=NO)SC 1P0013UL [1,1,0,0,0,0|0,0,1]=3 2062 B5R0.3 CC(C#N)CC 1P003I5O [1,1,0,0,0,0|1,0,1]=4 2063 B5R0.3 CC(C#N)SC 1P028QKB [1,1,0,0,0,0|1,0,1]=4 2064 B5R0.3 CC(C=O)OC 1P00F3OH [1,1,0,0,0,0|0,1,1]=4 2065 B5R0.3 CC(OC)CS 1P0280JM [1,1,0,0,0,0|0,0,2]=4 2066 B5R0.3 CC(ON)CC 1P01A559 [1,1,0,0,0,0|0,0,2]=4 2067 B5R0.3 CC(SC)CO 1P002A2F [1,1,0,0,0,0|0,0,2]=4 2068 B5R0.3 CCC(=C)C#N 1P00AZFX [1,1,0,0,0,0|1,0,1]=4 2069 B5R0.3 CCC(=C)C=O 1P0033RD [1,1,0,0,0,0|0,0,1]=3 2070 B5R0.3 CCC(=C)CBr 1P00ERJN [1,1,0,0,0,0|1,0,0]=3 2071 B5R0.3 CCC(=C)CC 1P003HND [1,1,0,0,0,0|1,0,0]=3 2072 B5R0.3 CCC(=C)CN 1P00J3CC [1,1,0,0,0,0|1,0,0]=3 2073 B5R0.3 CCC(=C)CO 1P019TC3 [1,1,0,0,0,0|1,0,0]=3 2074 B5R0.3 CCC(=N)NC 1P0281D2 [1,1,0,0,0,0|1,0,0]=3 2075 B5R0.3 CCC(=N)NO 1P002YKL [1,1,0,0,0,0|1,0,1]=4 2076 B5R0.3 CCC(=NO)N 1P00J3M4 [1,1,0,0,0,0|1,0,1]=4 2077 B5R0.3 CCC(=O)C#C 1P001VIE [1,1,0,0,0,0|0,0,1]=3 2078 B5R0.3 CCC(=O)C=C 1P001TZW [1,1,0,0,0,0|0,0,1]=3 2079 B5R0.3 CCC(=O)CC 1P003KBG [1,1,0,0,0,0|0,0,0]=2 2080 B5R0.3 CCC(=O)CCl 1P00E9KQ [1,1,0,0,0,0|0,0,0]=2 2081 B5R0.3 CCC(=O)CN 1P007UM4 [1,1,0,0,0,0|0,0,0]=2 2082 B5R0.3 CCC(=O)CO 1P00DBTG [1,1,0,0,0,0|0,0,0]=2 2083 B5R0.3 CCC(=O)NC 1P003TP5 [1,1,0,0,0,0|0,0,0]=2 2084 B5R0.3 CCC(=O)NN 1P0035ZK [1,1,0,0,0,0|1,0,0]=3 2085 B5R0.3 CCC(=O)NO 1P00BVXV [1,1,0,0,0,0|1,0,0]=3 2086 B5R0.3 CCC(=O)OC 1P0035PP [1,1,0,0,0,0|0,0,0]=2 2087 B5R0.3 CCC(=S)OC 1P002TUB [1,1,0,0,0,0|0,1,0]=3 2088 B5R0.3 CCC(CBr)Br 1P003DUE [1,1,0,0,0,0|1,0,1]=4 2089 B5R0.3 CCC(CBr)C 1P0032OY [1,1,0,0,0,0|1,0,1]=4 2090 B5R0.3 CCC(CBr)N 1P028IUT [1,1,0,0,0,0|1,0,1]=4 2091 B5R0.3 CCC(CBr)O 1P002Q0C [1,1,0,0,0,0|0,0,2]=4 2092 B5R0.3 CCC(CC)Br 1P0022X3 [1,1,0,0,0,0|1,0,1]=4 2093 B5R0.3 CCC(CC)I 1P0022X4 [1,1,0,0,0,0|1,0,1]=4 2094 B5R0.3 CCC(CC)N 1P003JEI [1,1,0,0,0,0|1,0,1]=4 2095 B5R0.3 CCC(CC)O 1P003KBF [1,1,0,0,0,0|0,0,2]=4 2096 B5R0.3 CCC(CC)S 1P00F3I5 [1,1,0,0,0,0|0,1,1]=4 2097 B5R0.3 CCC(CCl)C 1P00EBG7 [1,1,0,0,0,0|1,0,1]=4 2098 B5R0.3 CCC(CCl)Cl 1P003DUP [1,1,0,0,0,0|1,0,1]=4 2099 B5R0.3 CCC(CCl)O 1P00AYVS [1,1,0,0,0,0|0,0,2]=4 2100 B5R0.3 CCC(CF)N 1P01BA0M [1,1,0,0,0,0|1,0,1]=4 2101 B5R0.3 CCC(CI)C 1P00E9YB [1,1,0,0,0,0|1,0,1]=4 2102 B5R0.3 CCC(CI)N 1P028G3P [1,1,0,0,0,0|1,0,1]=4 2103 B5R0.3 CCC(CI)O 1P000N6V [1,1,0,0,0,0|0,0,2]=4 2104 B5R0.3 CCC(CN)C 1P00IK6S [1,1,0,0,0,0|1,0,1]=4 2105 B5R0.3 CCC(CN)C 1P01C477 [1,1,0,0,0,0|1,0,1]=4 2106 B5R0.3 CCC(CN)F 1P019UMD [1,1,0,0,0,0|1,0,1]=4 2107 B5R0.3 CCC(CN)N 1P01AB6T [1,1,0,0,0,0|1,0,1]=4 2108 B5R0.3 CCC(CN)O 1P003EEI [1,1,0,0,0,0|0,0,2]=4 2109 B5R0.3 CCC(CN)S 1P01EJ6L [1,1,0,0,0,0|0,1,1]=4 2110 B5R0.3 CCC(CO)Br 1P006XVW [1,1,0,0,0,0|1,0,1]=4 2111 B5R0.3 CCC(CO)C 1P001351 [1,1,0,0,0,0|0,0,2]=4 2112 B5R0.3 CCC(CO)Cl 1P01AMF6 [1,1,0,0,0,0|1,0,1]=4 2113 B5R0.3 CCC(CO)N 1P003GSS [1,1,0,0,0,0|1,0,1]=4 2114 B5R0.3 CCC(CO)O 1P003BGJ [1,1,0,0,0,0|0,0,2]=4 2115 B5R0.3 CCC(CS)C 1P002GYX [1,1,0,0,0,0|0,1,1]=4 2116 B5R0.3 CCC(CS)N 1P01A3ND [1,1,0,0,0,0|1,0,1]=4 2117 B5R0.3 CCC(CS)O 1P01BIJJ [1,1,0,0,0,0|0,0,2]=4 2118 B5R0.3 CCC(CS)S 1P001SRO [1,1,0,0,0,0|0,1,1]=4 2119 B5R0.3 CCC(NC)C 1P003FJM [1,1,0,0,0,0|1,0,1]=4 2120 B5R0.3 CCC(NC)C 1P005R74 [1,1,0,0,0,0|1,0,1]=4 2121 B5R0.3 CCC(NN)C 1P009A22 [1,1,0,0,0,0|1,0,1]=4 2122 B5R0.3 CCC(OC)C 1P003UOY [1,1,0,0,0,0|0,0,2]=4 2123 B5R0.3 CCN(CC)C 1P00E9VL [1,1,0,0,0,0|2,0,0]=4 2124 B5R0.3 CCN(CC)O 1P0035RT [1,1,0,0,0,0|1,0,1]=4 2125 B5R0.3 CCP(=O)CC 1P00357C [1,1,0,0,0,0|1,0,0]=3 2126 B5R0.3 CCS(=O)CC 1P006ANF [1,1,0,0,0,0|1,0,0]=3 2127 B5R0.3 CC[C@@H](CCl)N 1P028G0F [1,1,0,0,0,0|1,0,1]=4 2128 B5R0.3 CC[C@@H](CI)C 1P002YPR [1,1,0,0,0,0|1,0,1]=4 2129 B5R0.3 CC[C@@H](CN)C 1P002IUT [1,1,0,0,0,0|1,0,1]=4 2130 B5R0.3 CC[C@@H](CN)C 1P0201XK [1,1,0,0,0,0|1,0,1]=4 2131 B5R0.3 CC[C@@H](CN)O 1P01B9RT [1,1,0,0,0,0|0,0,2]=4 2132 B5R0.3 CC[C@@H](CO)C 1P001P8L [1,1,0,0,0,0|0,0,2]=4 2133 B5R0.3 CC[C@@H](CO)N 1P003CWW [1,1,0,0,0,0|1,0,1]=4 2134 B5R0.3 CC[C@@H](CO)O 1P003709 [1,1,0,0,0,0|0,0,2]=4 2135 B5R0.3 CC[C@@H](CS)N 1P028FQI [1,1,0,0,0,0|1,0,1]=4 2136 B5R0.3 CC[C@@H](NC)C 1P02859U [1,1,0,0,0,0|1,0,1]=4 2137 B5R0.3 CC[C@H](CBr)O 1P0292ZO [1,1,0,0,0,0|0,0,2]=4 2138 B5R0.3 CC[C@H](CCl)N 1P028FOW [1,1,0,0,0,0|1,0,1]=4 2139 B5R0.3 CC[C@H](CN)O 1P00J2QC [1,1,0,0,0,0|0,0,2]=4 2140 B5R0.3 CC[C@H](CO)C 1P00EBJG [1,1,0,0,0,0|0,0,2]=4 2141 B5R0.3 CC[C@H](CO)N 1P0032U5 [1,1,0,0,0,0|1,0,1]=4 2142 B5R0.3 CC[C@H](CO)O 1P00I8DI [1,1,0,0,0,0|0,0,2]=4 2143 B5R0.3 CC[C@H](CS)N 1P028YXX [1,1,0,0,0,0|1,0,1]=4 2144 B5R0.3 CC[C@H](NC)C 1P01R96I [1,1,0,0,0,0|1,0,1]=4 2145 B5R0.3 CC[SiH](CC)C 1P0058VP [1,1,0,0,0,0|1,1,0]=4 2146 B5R0.3 CC\C(=C\C)\Br 1P028YNB [1,1,0,0,0,0|1,0,0]=3 2147 B5R0.3 CC\C(=N\O)\N 1P00J2ED [1,1,0,0,0,0|1,0,1]=4 2148 B5R0.3 CN(C#N)CC 1P01B2ZP [1,1,0,0,0,0|2,0,0]=4 2149 B5R0.3 CN(C=O)CC 1P002XCI [1,1,0,0,0,0|1,0,0]=3 2150 B5R0.3 CN(C=O)OC 1P00CLC1 [1,1,0,0,0,0|1,1,0]=4 2151 B5R0.3 CNC(=N)NC 1P01AMS9 [1,1,0,0,0,0|2,0,0]=4 2152 B5R0.3 CNC(=N)SC 1P003DVA [1,1,0,0,0,0|1,0,0]=3 2153 B5R0.3 CNC(=NC)C 1P01A0OU [1,1,0,0,0,0|2,0,0]=4 2154 B5R0.3 CNC(=O)C#C 1P00K7GW [1,1,0,0,0,0|0,0,2]=4 2155 B5R0.3 CNC(=O)C=C 1P00HF69 [1,1,0,0,0,0|0,0,2]=4 2156 B5R0.3 CNC(=O)CBr 1P007DCA [1,1,0,0,0,0|1,0,0]=3 2157 B5R0.3 CNC(=O)CCl 1P0033Q7 [1,1,0,0,0,0|1,0,0]=3 2158 B5R0.3 CNC(=O)CI 1P028JQB [1,1,0,0,0,0|1,0,0]=3 2159 B5R0.3 CNC(=O)CN 1P0037VQ [1,1,0,0,0,0|1,0,0]=3 2160 B5R0.3 CNC(=O)CN 1P0039JP [1,1,0,0,0,0|1,0,0]=3 2161 B5R0.3 CNC(=O)CO 1P00DD9R [1,1,0,0,0,0|0,1,0]=3 2162 B5R0.3 CNC(=O)CS 1P002KO6 [1,1,0,0,0,0|0,0,0]=2 2163 B5R0.3 CNC(=O)NN 1P0025HY [1,1,0,0,0,0|2,0,0]=4 2164 B5R0.3 CNC(=O)OC 1P00FAMH [1,1,0,0,0,0|0,1,0]=3 2165 B5R0.3 CNC(=S)NC 1P00DENK [1,1,0,0,0,0|1,1,0]=4 2166 B5R0.3 COC(=N)CCl 1P003S44 [1,1,0,0,0,0|1,1,0]=4 2167 B5R0.3 COC(=O)C#C 1P0035ZM [1,1,0,0,0,0|0,0,2]=4 2168 B5R0.3 COC(=O)C#N 1P002549 [1,1,0,0,0,0|0,1,1]=4 2169 B5R0.3 COC(=O)C=C 1P0038Z5 [1,1,0,0,0,0|0,0,2]=4 2170 B5R0.3 COC(=O)C=O 1P019DOT [1,1,0,0,0,0|0,1,1]=4 2171 B5R0.3 COC(=O)CBr 1P0035PA [1,1,0,0,0,0|0,1,0]=3 2172 B5R0.3 COC(=O)CI 1P00VVO6 [1,1,0,0,0,0|0,1,0]=3 2173 B5R0.3 COC(=O)CN 1P0035FQ [1,1,0,0,0,0|0,1,0]=3 2174 B5R0.3 COC(=O)CO 1P0035PJ [1,1,0,0,0,0|0,1,0]=3 2175 B5R0.3 COC(=O)CS 1P002OI0 [1,1,0,0,0,0|0,0,0]=2 2176 B5R0.3 COC(=O)NN 1P003P5S [1,1,0,0,0,0|1,1,0]=4 2177 B5R0.3 COC(=O)OC 1P00357R [1,1,0,0,0,0|0,1,0]=3 2178 B5R0.3 COC(=O)SCl 1P002U4T [1,1,0,0,0,0|1,0,0]=3 2179 B5R0.3 COC(=S)SC 1P00ASGB [1,1,0,0,0,0|0,1,0]=3 2180 B5R0.3 COS(=O)OC 1P00IKXI [1,1,0,0,0,0|1,1,0]=4 2181 B5R0.3 CSC(=C)SC 1P003DOK [1,1,0,0,0,0|1,0,0]=3 2182 B5R0.3 CSC(=N)NN 1P00381G [1,1,0,0,0,0|2,0,0]=4 2183 B5R0.3 CSC(=O)CCl 1P028VR9 [1,1,0,0,0,0|0,0,0]=2 2184 B5R0.3 CSC(=O)SC 1P003UMZ [1,1,0,0,0,0|0,0,0]=2 2185 B5R0.3 CSC(=S)NN 1P00DKPT [1,1,0,0,0,0|1,1,0]=4 2186 B5R0.3 C[C@@H](OC)CS 1P028LJS [1,1,0,0,0,0|0,0,2]=4 2187 B5R0.3 C[C@H](OC)CS 1P0280S0 [1,1,0,0,0,0|0,0,2]=4 2188 B5R0.3 C\C(=C/C)\C#N 1P003I2D [1,1,0,0,0,0|1,0,1]=4 2189 B5R0.3 C\C(=C/C)\CCl 1P01EMGD [1,1,0,0,0,0|1,0,1]=4 2190 B5R0.3 C\C=C(\C=O)/Br 1P01G991 [1,1,0,0,0,0|1,0,1]=4 2191 B5R0.3 C\C=C(\C=O)/C 1P00366D [1,1,0,0,0,0|0,0,1]=3 2192 B5R0.3 C\C=C(\C=O)/Cl 1P002R15 [1,1,0,0,0,0|1,0,1]=4 2193 B5R0.3 C\C=C(\CBr)/Br 1P0051PW [1,1,0,0,0,0|1,0,1]=4 2194 B5R0.3 ClCC(=C)CCl 1P003440 [1,1,0,0,0,0|2,0,0]=4 2195 B5R0.3 ClCC(=O)C=C 1P006UR2 [1,1,0,0,0,0|0,0,2]=4 2196 B5R0.3 ClCC(=O)CCl 1P00DTUY [1,1,0,0,0,0|1,0,0]=3 2197 B5R0.3 FCC(=C)CF 1P01B8O5 [1,1,0,0,0,0|2,0,0]=4 2198 B5R0.3 ICC(=C)CI 1P01HDDB [1,1,0,0,0,0|2,0,0]=4 2199 B5R0.3 NC=C(C=O)C 1P0032BD [1,1,0,0,0,0|1,0,1]=4 2200 B5R0.3 NCC(=C)CN 1P01AVAM [1,1,0,0,0,0|2,0,0]=4 2201 B5R0.3 NCC(=C)CO 1P01B38X [1,1,0,0,0,0|1,1,0]=4 2202 B5R0.3 NCC(=O)CCl 1P027VFF [1,1,0,0,0,0|1,0,0]=3 2203 B5R0.3 NCC(=O)CN 1P00EE76 [1,1,0,0,0,0|1,0,0]=3 2204 B5R0.3 NCC(=O)NN 1P028IE3 [1,1,0,0,0,0|2,0,0]=4 2205 B5R0.3 NCC(=O)NO 1P00DG4H [1,1,0,0,0,0|1,1,0]=4 2206 B5R0.3 NNC(=O)CCl 1P004ISM [1,1,0,0,0,0|2,0,0]=4 2207 B5R0.3 NNC(=O)CO 1P007E6R [1,1,0,0,0,0|1,1,0]=4 2208 B5R0.3 NNC(=O)CS 1P008P7E [1,1,0,0,0,0|1,0,0]=3 2209 B5R0.3 OCC(=C)CBr 1P01ADNH [1,1,0,0,0,0|1,1,0]=4 2210 B5R0.3 OCC(=C)CF 1P028BX1 [1,1,0,0,0,0|1,1,0]=4 2211 B5R0.3 OCC(=C)CO 1P0036EB [1,1,0,0,0,0|1,1,0]=4 2212 B5R0.3 OCC(=O)CO 1P00332C [1,1,0,0,0,0|0,1,0]=3 2213 B5R0.3 OCC(CS)C 1P019SMR [1,1,0,0,0,0|0,0,2]=4 2214 B5R0.3 OCC(CS)O 1P006SH0 [1,1,0,0,0,0|0,0,2]=4 2215 B5R0.3 OCC(CS)S 1P003FZZ [1,1,0,0,0,0|0,1,1]=4 2216 B5R0.3 OC[C@@H](CS)O 1P008RHS [1,1,0,0,0,0|0,0,2]=4 2217 B5R0.3 OC[C@H](CS)O 1P001VNE [1,1,0,0,0,0|0,0,2]=4 2218 B5R0.3 SCC(CS)N 1P01QN6R [1,1,0,0,0,0|1,0,1]=4 2219 B5R0.3 [C-]#[N+]C(CC)C 1P00HWCJ [1,1,0,0,0,0|1,0,1]=4 2220 B5R0.4 BrCP(=O)(C)C 1P0284J8 [1,1,0,0,0,0|2,0,0]=4 2221 B5R0.4 BrCS(=O)(=O)C 1P01A2U6 [1,1,0,0,0,0|2,0,0]=4 2222 B5R0.4 CCC(C)(C)[O-] 1P003UC5 [1,1,0,0,0,0|0,0,2]=4 2223 B5R0.4 CCC(Cl)(C)C 1P003BNH [1,1,0,0,0,0|1,0,1]=4 2224 B5R0.4 CCC(I)(C)C 1P00EBFU [1,1,0,0,0,0|1,0,1]=4 2225 B5R0.4 CCC(N)(C)C 1P003UZC [1,1,0,0,0,0|1,0,1]=4 2226 B5R0.4 CCC(O)(C)C 1P001DZE [1,1,0,0,0,0|0,0,2]=4 2227 B5R0.4 CCC(O)(C)C 1P0033UL [1,1,0,0,0,0|0,0,2]=4 2228 B5R0.4 CCP(=O)(O)O 1P003R06 [1,1,0,0,0,0|2,0,0]=4 2229 B5R0.4 CCS(=O)(=N)C 1P00J0QH [1,1,0,0,0,0|1,0,0]=3 2230 B5R0.4 CCS(=O)(=N)N 1P020KM8 [1,1,0,0,0,0|2,0,0]=4 2231 B5R0.4 CCS(=O)(=N)N 1P028125 [1,1,0,0,0,0|2,0,0]=4 2232 B5R0.4 CCS(=O)(=O)Br 1P028ALL [1,1,0,0,0,0|2,0,0]=4 2233 B5R0.4 CCS(=O)(=O)C 1P0035D6 [1,1,0,0,0,0|1,0,0]=3 2234 B5R0.4 CCS(=O)(=O)Cl 1P0035DZ [1,1,0,0,0,0|2,0,0]=4 2235 B5R0.4 CCS(=O)(=O)F 1P005CD0 [1,1,0,0,0,0|2,0,0]=4 2236 B5R0.4 CCS(=O)(=O)N 1P0035A7 [1,1,0,0,0,0|2,0,0]=4 2237 B5R0.4 CCS(=O)(=O)O 1P0035A8 [1,1,0,0,0,0|2,0,0]=4 2238 B5R0.4 CCS(=O)(=O)[O-] 1P003QF5 [1,1,0,0,0,0|2,0,0]=4 2239 B5R0.4 CC[N+](C)(C)C 1P002TYK [1,1,0,0,0,0|2,0,0]=4 2240 B5R0.4 CC[N+](C)(C)C 1P00DDMU [1,1,0,0,0,0|2,0,0]=4 2241 B5R0.4 CC[Si](Cl)(C)C 1P003QYQ [1,1,0,0,0,0|1,1,0]=4 2242 B5R0.4 CNS(=O)(=N)C 1P028N7C [1,1,0,0,0,0|2,0,0]=4 2243 B5R0.4 CNS(=O)(=O)C 1P003TMH [1,1,0,0,0,0|2,0,0]=4 2244 B5R0.4 COS(=O)(=O)C 1P003SHM [1,1,0,0,0,0|1,1,0]=4 2245 B5R0.4 CSC(C)(C)C 1P003V1J [1,1,0,0,0,0|1,0,1]=4 2246 B5R0.4 CSS(=O)(=O)C 1P002Z18 [1,1,0,0,0,0|1,0,0]=3 2247 B5R0.4 ClCP(=O)(C)C 1P001UUU [1,1,0,0,0,0|2,0,0]=4 2248 B5R0.4 ClCS(=O)(=O)C 1P002NYC [1,1,0,0,0,0|2,0,0]=4 2249 B5R0.4 ICP(=O)(C)C 1P0059UU [1,1,0,0,0,0|2,0,0]=4 2250 B5R0.4 ICS(=O)(=O)C 1P0055LX [1,1,0,0,0,0|2,0,0]=4 2251 B5R0.4 NCP(=O)(C)C 1P028Z6T [1,1,0,0,0,0|2,0,0]=4 2252 B5R0.4 SCC(C)(C)C 1P007W5C [1,1,0,0,0,0|1,0,1]=4 2253 B5R0.4 SCC(F)(F)C 1P024URY [1,1,0,0,0,0|1,0,1]=4 2254 B5R0.4 SCC(N)(C)C 1P01I4GG [1,1,0,0,0,0|1,0,1]=4 2255 B5R0.4 SCC(O)(C)C 1P001ME2 [1,1,0,0,0,0|0,0,2]=4 2256 B5R0.4 SC[Si](C)(C)C 1P0023HM [1,1,0,0,0,0|1,1,0]=4 2257 B5R0.4 [O-]S(=S)(=O)CC 1P003UVU [1,1,0,0,0,0|2,0,0]=4 2258 B5R0.5 BrC(=O)C(Br)C 1P003H9L [1,1,0,0,0,0|1,0,0]=3 2259 B5R0.5 BrC(C(=O)C)Br 1P008FOH [1,1,0,0,0,0|1,0,0]=3 2260 B5R0.5 CC(=C(C)C)Br 1P003H3O [1,1,0,0,0,0|1,0,1]=4 2261 B5R0.5 CC(=C(C)C)C 1P003656 [1,1,0,0,0,0|1,0,1]=4 2262 B5R0.5 CC(=C)C(=C)C 1P003G0E [1,1,0,0,0,0|1,0,1]=4 2263 B5R0.5 CC(=C)C(=O)N 1P003RY9 [1,1,0,0,0,0|1,0,1]=4 2264 B5R0.5 CC(=C)C(=O)O 1P0036XE [1,1,0,0,0,0|1,0,1]=4 2265 B5R0.5 CC(=C)C(=O)[O-] 1P0010CG [1,1,0,0,0,0|1,0,1]=4 2266 B5R0.5 CC(=C)C(=O)[O-] 1P00111N [1,1,0,0,0,0|1,0,1]=4 2267 B5R0.5 CC(=C)C(=O)[O-] 1P001Y9T [1,1,0,0,0,0|1,0,1]=4 2268 B5R0.5 CC(=C)C(=O)[O-] 1P003UTP [1,1,0,0,0,0|1,0,1]=4 2269 B5R0.5 CC(=C)C(=O)[O-] 1P005QHJ [1,1,0,0,0,0|1,0,1]=4 2270 B5R0.5 CC(=C)C(=O)[O-] 1P005ZNF [1,1,0,0,0,0|1,0,1]=4 2271 B5R0.5 CC(=C)C(C)C 1P003G0F [1,1,0,0,0,0|1,0,0]=3 2272 B5R0.5 CC(=C)C(O)C 1P007H42 [1,1,0,0,0,0|1,0,0]=3 2273 B5R0.5 CC(=N)N(C)C 1P01A0N1 [1,1,0,0,0,0|2,0,0]=4 2274 B5R0.5 CC(=O)C(=C)C 1P003K68 [1,1,0,0,0,0|0,0,1]=3 2275 B5R0.5 CC(=O)C(=O)[O-] 1P002Y88 [1,1,0,0,0,0|0,1,1]=4 2276 B5R0.5 CC(=O)C(=O)[O-] 1P003P54 [1,1,0,0,0,0|0,1,1]=4 2277 B5R0.5 CC(=O)C(=O)[O-] 1P003UJW [1,1,0,0,0,0|0,1,1]=4 2278 B5R0.5 CC(=O)C(=S)N 1P01A3YH [1,1,0,0,0,0|0,0,2]=4 2279 B5R0.5 CC(=O)C(Br)C 1P003JKY [1,1,0,0,0,0|0,0,0]=2 2280 B5R0.5 CC(=O)C(C)C 1P0037OJ [1,1,0,0,0,0|0,0,0]=2 2281 B5R0.5 CC(=O)C(Cl)C 1P003ECT [1,1,0,0,0,0|0,0,0]=2 2282 B5R0.5 CC(=O)C(O)C 1P00DMTO [1,1,0,0,0,0|0,0,0]=2 2283 B5R0.5 CC(=O)C(S)C 1P00BXSU [1,1,0,0,0,0|0,0,0]=2 2284 B5R0.5 CC(=O)N(C)C 1P000WZ3 [1,1,0,0,0,0|1,0,0]=3 2285 B5R0.5 CC(=O)N(N)C 1P01B894 [1,1,0,0,0,0|1,0,0]=3 2286 B5R0.5 CC(=O)N(O)C 1P000W3Q [1,1,0,0,0,0|1,0,0]=3 2287 B5R0.5 CC(=O)[C@@H](N)C 1P00IA8G [1,1,0,0,0,0|0,0,0]=2 2288 B5R0.5 CC(=O)[NH+](C)C 1P003OS1 [1,1,0,0,0,0|1,0,0]=3 2289 B5R0.5 CC(=S)N(C)C 1P003T2C [1,1,0,0,0,0|1,1,0]=4 2290 B5R0.5 CC(C(=C)Br)O 1P027Y79 [1,1,0,0,0,0|1,0,1]=4 2291 B5R0.5 CC(C(=N)N)C 1P00BDNQ [1,1,0,0,0,0|2,0,0]=4 2292 B5R0.5 CC(C(=N)N)Cl 1P018SQA [1,1,0,0,0,0|2,0,0]=4 2293 B5R0.5 CC(C(=N)N)O 1P00H5D2 [1,1,0,0,0,0|2,0,0]=4 2294 B5R0.5 CC(C(=N)N)O 1P00J38B [1,1,0,0,0,0|2,0,0]=4 2295 B5R0.5 CC(C(=O)Br)C 1P003RK5 [1,1,0,0,0,0|1,0,0]=3 2296 B5R0.5 CC(C(=O)Cl)Br 1P003BND [1,1,0,0,0,0|1,0,0]=3 2297 B5R0.5 CC(C(=O)Cl)C 1P003RK6 [1,1,0,0,0,0|1,0,0]=3 2298 B5R0.5 CC(C(=O)N)Br 1P003H9I [1,1,0,0,0,0|1,0,0]=3 2299 B5R0.5 CC(C(=O)N)C 1P003RJZ [1,1,0,0,0,0|1,0,0]=3 2300 B5R0.5 CC(C(=O)N)Cl 1P002V9S [1,1,0,0,0,0|1,0,0]=3 2301 B5R0.5 CC(C(=O)N)I 1P002G87 [1,1,0,0,0,0|1,0,0]=3 2302 B5R0.5 CC(C(=O)N)O 1P0029VL [1,1,0,0,0,0|1,0,0]=3 2303 B5R0.5 CC(C(=O)O)Br 1P003H9J [1,1,0,0,0,0|1,0,0]=3 2304 B5R0.5 CC(C(=O)O)C 1P003729 [1,1,0,0,0,0|1,0,0]=3 2305 B5R0.5 CC(C(=O)O)C 1P01D9JB [1,1,0,0,0,0|1,0,0]=3 2306 B5R0.5 CC(C(=O)O)F 1P0032QG [1,1,0,0,0,0|1,0,0]=3 2307 B5R0.5 CC(C(=O)O)N 1P01ELSY [1,1,0,0,0,0|1,0,0]=3 2308 B5R0.5 CC(C(=O)S)C 1P00E3N5 [1,1,0,0,0,0|1,0,0]=3 2309 B5R0.5 CC(C(=O)[O-])C 1P002R83 [1,1,0,0,0,0|1,0,0]=3 2310 B5R0.5 CC(C(=O)[O-])C 1P003RK3 [1,1,0,0,0,0|1,0,0]=3 2311 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [1,1,0,0,0,0|1,0,0]=3 2312 B5R0.5 CC(C(=O)[O-])O 1P002IGC [1,1,0,0,0,0|1,0,0]=3 2313 B5R0.5 CC(C(=O)[O-])O 1P002IGD [1,1,0,0,0,0|1,0,0]=3 2314 B5R0.5 CC(C(=O)[O-])O 1P003P4S [1,1,0,0,0,0|1,0,0]=3 2315 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [1,1,0,0,0,0|1,0,0]=3 2316 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [1,1,0,0,0,0|1,0,0]=3 2317 B5R0.5 CC(C(=S)N)C 1P0033V4 [1,1,0,0,0,0|1,1,0]=4 2318 B5R0.5 CC(C(=S)N)O 1P028CIM [1,1,0,0,0,0|1,1,0]=4 2319 B5R0.5 CC(C(Br)C)Br 1P003FXK [1,1,0,0,0,0|1,0,1]=4 2320 B5R0.5 CC(C(C)C)Br 1P0024QT [1,1,0,0,0,0|1,0,1]=4 2321 B5R0.5 CC(C(C)C)Cl 1P00ERNM [1,1,0,0,0,0|1,0,1]=4 2322 B5R0.5 CC(C(C)C)I 1P0024QS [1,1,0,0,0,0|1,0,1]=4 2323 B5R0.5 CC(C(C)C)N 1P003DVC [1,1,0,0,0,0|1,0,1]=4 2324 B5R0.5 CC(C(C)C)O 1P00E9KB [1,1,0,0,0,0|0,0,2]=4 2325 B5R0.5 CC(C(C)C)S 1P002K5G [1,1,0,0,0,0|0,1,1]=4 2326 B5R0.5 CC(C(Cl)C)Cl 1P003FY9 [1,1,0,0,0,0|1,0,1]=4 2327 B5R0.5 CC(C(N)C)Br 1P01B79U [1,1,0,0,0,0|1,0,1]=4 2328 B5R0.5 CC(C(N)C)Br 1P028TZD [1,1,0,0,0,0|1,0,1]=4 2329 B5R0.5 CC(C(N)C)F 1P0280UG [1,1,0,0,0,0|1,0,1]=4 2330 B5R0.5 CC(C(N)C)N 1P01BE8I [1,1,0,0,0,0|1,0,1]=4 2331 B5R0.5 CC(C(N)C)O 1P0072BN [1,1,0,0,0,0|0,0,2]=4 2332 B5R0.5 CC(C(O)C)Br 1P00ER4N [1,1,0,0,0,0|0,0,2]=4 2333 B5R0.5 CC(C(O)C)O 1P0032PK [1,1,0,0,0,0|0,0,2]=4 2334 B5R0.5 CC(C(O)C)S 1P003K2Y [1,1,0,0,0,0|0,0,2]=4 2335 B5R0.5 CC(C(S)C)S 1P003G00 [1,1,0,0,0,0|0,1,1]=4 2336 B5R0.5 CC(N(=O)=O)C 1P003I9T [1,1,0,0,0,0|2,0,0]=4 2337 B5R0.5 CC(S(=O)Cl)C 1P00CMZT [1,1,0,0,0,0|2,0,0]=4 2338 B5R0.5 CC(S(=O)N)C 1P01BFW0 [1,1,0,0,0,0|2,0,0]=4 2339 B5R0.5 CC(S(=O)[O-])C 1P00C6Z1 [1,1,0,0,0,0|2,0,0]=4 2340 B5R0.5 CN(C(=O)Cl)C 1P003Q3S [1,1,0,0,0,0|2,0,0]=4 2341 B5R0.5 CN(C(=O)N)C 1P0032OO [1,1,0,0,0,0|2,0,0]=4 2342 B5R0.5 CN(C(=O)O)C 1P003Q0Z [1,1,0,0,0,0|2,0,0]=4 2343 B5R0.5 CN(C(C)C)C 1P003T1Y [1,1,0,0,0,0|2,0,0]=4 2344 B5R0.5 CP(=O)C(C)C 1P02886T [1,1,0,0,0,0|1,0,0]=3 2345 B5R0.5 C[C@@H](C(=N)N)O 1P009I1C [1,1,0,0,0,0|2,0,0]=4 2346 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [1,1,0,0,0,0|1,0,0]=3 2347 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [1,1,0,0,0,0|1,0,0]=3 2348 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [1,1,0,0,0,0|1,0,0]=3 2349 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [1,1,0,0,0,0|1,0,0]=3 2350 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [1,1,0,0,0,0|1,0,0]=3 2351 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [1,1,0,0,0,0|1,0,0]=3 2352 B5R0.5 C[C@@H](C(C)C)N 1P00J87H [1,1,0,0,0,0|1,0,1]=4 2353 B5R0.5 C[C@@H](C(C)C)O 1P003CXX [1,1,0,0,0,0|0,0,2]=4 2354 B5R0.5 C[C@@H](O)[C@@H](N)C 1P01FWSW [1,1,0,0,0,0|0,0,2]=4 2355 B5R0.5 C[C@@H]([C@@H](N)C)O 1P01OML7 [1,1,0,0,0,0|0,0,2]=4 2356 B5R0.5 C[C@@H]([C@@H](O)C)O 1P0032YC [1,1,0,0,0,0|0,0,2]=4 2357 B5R0.5 C[C@@H]([C@H](N)C)O 1P024HCX [1,1,0,0,0,0|0,0,2]=4 2358 B5R0.5 C[C@H](C(=N)N)O 1P00CJEK [1,1,0,0,0,0|2,0,0]=4 2359 B5R0.5 C[C@H](C(=O)N)O 1P003CML [1,1,0,0,0,0|1,0,0]=3 2360 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [1,1,0,0,0,0|1,0,0]=3 2361 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [1,1,0,0,0,0|1,0,0]=3 2362 B5R0.5 C[C@H](C(=O)O)N 1P003559 [1,1,0,0,0,0|1,0,0]=3 2363 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [1,1,0,0,0,0|1,0,0]=3 2364 B5R0.5 C[C@H](C(C)C)N 1P01DH3B [1,1,0,0,0,0|1,0,1]=4 2365 B5R0.5 C[C@H](C(C)C)O 1P001PQR [1,1,0,0,0,0|0,0,2]=4 2366 B5R0.5 C[C@H]([C@@H](Br)C)Br 1P003RXY [1,1,0,0,0,0|1,0,1]=4 2367 B5R0.5 C[C@H]([C@H](O)C)O 1P0032W8 [1,1,0,0,0,0|0,0,2]=4 2368 B5R0.5 ClC(=O)C(=O)C 1P00EL7R [1,1,0,0,0,0|0,1,1]=4 2369 B5R0.5 ClC(=O)C(Cl)C 1P003BO8 [1,1,0,0,0,0|1,0,0]=3 2370 B5R0.5 ClC(=O)C(Cl)Cl 1P003PU4 [1,1,0,0,0,0|2,0,0]=4 2371 B5R0.5 ClC(=O)C(Cl)F 1P00C9D4 [1,1,0,0,0,0|2,0,0]=4 2372 B5R0.5 ClC(=O)[C@@H](Cl)C 1P01BY6S [1,1,0,0,0,0|1,0,0]=3 2373 B5R0.5 ClC(=O)[C@H](Cl)C 1P006CQL [1,1,0,0,0,0|1,0,0]=3 2374 B5R0.5 ClC(C(=O)N)Cl 1P003PTZ [1,1,0,0,0,0|2,0,0]=4 2375 B5R0.5 ClC(C(=O)[O-])Cl 1P003USX [1,1,0,0,0,0|2,0,0]=4 2376 B5R0.5 FC(C(=O)C)F 1P00396G [1,1,0,0,0,0|1,0,0]=3 2377 B5R0.5 FC(C(=O)N)F 1P00C7PN [1,1,0,0,0,0|2,0,0]=4 2378 B5R0.5 FC(C(=O)O)F 1P003PZ6 [1,1,0,0,0,0|2,0,0]=4 2379 B5R0.5 FC(C(=O)[O-])F 1P005S6T [1,1,0,0,0,0|2,0,0]=4 2380 B5R0.5 FC(C(=O)[O-])F 1P00C5BF [1,1,0,0,0,0|2,0,0]=4 2381 B5R0.5 NC(=N)C(N)C 1P028QKH [1,1,0,0,0,0|2,0,0]=4 2382 B5R0.5 NC(=O)C(=O)C 1P00F3KY [1,1,0,0,0,0|0,1,1]=4 2383 B5R0.5 NC(=O)C(Br)Cl 1P01IDGP [1,1,0,0,0,0|2,0,0]=4 2384 B5R0.5 NC(=O)C(Br)F 1P00C8R4 [1,1,0,0,0,0|2,0,0]=4 2385 B5R0.5 NC(=O)C(N)C 1P003H0J [1,1,0,0,0,0|1,0,0]=3 2386 B5R0.5 NC(=O)C(N)C 1P003H0K [1,1,0,0,0,0|1,0,0]=3 2387 B5R0.5 NC(=O)N(N)C 1P00I4XN [1,1,0,0,0,0|2,0,0]=4 2388 B5R0.5 NC(=O)[C@@H](N)C 1P0006VF [1,1,0,0,0,0|1,0,0]=3 2389 B5R0.5 NC(=O)[C@@H](N)C 1P0036JB [1,1,0,0,0,0|1,0,0]=3 2390 B5R0.5 NC(=O)[C@@H](N)C 1P00ICUD [1,1,0,0,0,0|1,0,0]=3 2391 B5R0.5 NC(=O)[C@H](N)C 1P00382K [1,1,0,0,0,0|1,0,0]=3 2392 B5R0.5 NC(=O)[C@H](N)C 1P003C4R [1,1,0,0,0,0|1,0,0]=3 2393 B5R0.5 NC(=S)C(N)C 1P01C5RS [1,1,0,0,0,0|1,1,0]=4 2394 B5R0.5 N[C@@H]([C@@H](C)O)C 1P01FWSS [1,1,0,0,0,0|0,0,2]=4 2395 B5R0.5 OC(=O)C(=O)C 1P000WZ4 [1,1,0,0,0,0|0,1,1]=4 2396 B5R0.5 OC(=O)C(=O)C 1P00I8KL [1,1,0,0,0,0|0,1,1]=4 2397 B5R0.5 OC(=O)C(Br)Cl 1P003P0Z [1,1,0,0,0,0|2,0,0]=4 2398 B5R0.5 OC(=O)C(Br)F 1P00BY5B [1,1,0,0,0,0|2,0,0]=4 2399 B5R0.5 OC(=O)C(Cl)F 1P00DD1L [1,1,0,0,0,0|2,0,0]=4 2400 B5R0.5 OC(=O)C(O)C 1P00388A [1,1,0,0,0,0|1,0,0]=3 2401 B5R0.5 OC(=O)C(O)C 1P003P5C [1,1,0,0,0,0|1,0,0]=3 2402 B5R0.5 OC(=O)C(O)N 1P0070X0 [1,1,0,0,0,0|1,1,0]=4 2403 B5R0.5 OC(=O)C(O)O 1P0037OI [1,1,0,0,0,0|1,1,0]=4 2404 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [1,1,0,0,0,0|1,0,0]=3 2405 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [1,1,0,0,0,0|1,0,0]=3 2406 B5R0.5 [O-]C(=O)C(Cl)F 1P005VN8 [1,1,0,0,0,0|2,0,0]=4 2407 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [1,1,0,0,0,0|1,0,0]=3 2408 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [1,1,0,0,0,0|1,0,0]=3 2409 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [1,1,0,0,0,0|1,0,0]=3 2410 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [1,1,0,0,0,0|1,0,0]=3 2411 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [1,1,0,0,0,0|1,0,0]=3 2412 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [1,1,0,0,0,0|1,0,0]=3 2413 B5R0.5 [O-]C(=O)[C@H](F)C 1P02809N [1,1,0,0,0,0|1,0,0]=3 2414 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [1,1,0,0,0,0|1,0,0]=3 2415 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [1,1,0,0,0,0|1,0,0]=3 2416 B5R0.2 BrCCCC=C 1P0034NV [1,1,0,0,0,0|1,0,1]=4 2417 B5R0.2 BrCCCC=O 1P01A6RF [1,1,0,0,0,0|1,0,0]=3 2418 B5R0.2 BrCCSCC 1P01A541 [1,1,0,0,0,0|1,0,1]=4 2419 B5R0.2 C(C#C)NC=O 1P0285QF [1,1,0,0,0,0|1,0,1]=4 2420 B5R0.2 C(C#N)OC=O 1P001NAW [1,1,0,0,0,0|2,0,0]=4 2421 B5R0.2 C=CCCC=O 1P002KZ4 [1,1,0,0,0,0|1,0,1]=4 2422 B5R0.2 C=CCNC=O 1P001TNE [1,1,0,0,0,0|1,0,1]=4 2423 B5R0.2 CC=CCCBr 1P00DR1G [1,1,0,0,0,0|1,0,1]=4 2424 B5R0.2 CC=CCCN 1P01AIX4 [1,1,0,0,0,0|1,0,1]=4 2425 B5R0.2 CC=CCON 1P0284EA [1,1,0,0,0,0|1,1,0]=4 2426 B5R0.2 CCC#CC=O 1P01IEPI [1,1,0,0,0,0|1,0,1]=4 2427 B5R0.2 CCC=CCN 1P01AV04 [1,1,0,0,0,0|1,0,1]=4 2428 B5R0.2 CCCCC=O 1P003VQU [1,1,0,0,0,0|1,0,0]=3 2429 B5R0.2 CCCCCCl 1P003EPF [1,1,0,0,0,0|1,0,1]=4 2430 B5R0.2 CCCCCF 1P003ET1 [1,1,0,0,0,0|1,0,1]=4 2431 B5R0.2 CCCCCI 1P003EWK [1,1,0,0,0,0|1,0,1]=4 2432 B5R0.2 CCCCCN 1P003OCQ [1,1,0,0,0,0|1,0,1]=4 2433 B5R0.2 CCCCCN 1P01XEUV [1,1,0,0,0,0|1,0,1]=4 2434 B5R0.2 CCCCCS 1P003F1Y [1,1,0,0,0,0|1,0,1]=4 2435 B5R0.2 CCCCNC 1P003TNV [1,1,0,0,0,0|1,0,1]=4 2436 B5R0.2 CCCNOC 1P02867D [1,1,0,0,0,0|0,1,1]=4 2437 B5R0.2 CCCOC=C 1P0035ZV [1,1,0,0,0,0|1,0,1]=4 2438 B5R0.2 CCCOCBr 1P019UI6 [1,1,0,0,0,0|0,1,1]=4 2439 B5R0.2 CCCOCCl 1P01C0RR [1,1,0,0,0,0|0,1,1]=4 2440 B5R0.2 CCCSSC 1P003SIY [1,1,0,0,0,0|0,0,1]=3 2441 B5R0.2 CCNCC=C 1P019XC1 [1,1,0,0,0,0|1,0,1]=4 2442 B5R0.2 CCNCCC 1P003THE [1,1,0,0,0,0|1,0,1]=4 2443 B5R0.2 CCOC=CC 1P003ER0 [1,1,0,0,0,0|0,1,1]=4 2444 B5R0.2 CCON=CC 1P028C19 [1,1,0,0,0,0|1,1,0]=4 2445 B5R0.2 CCSCC#C 1P008R0J [1,1,0,0,0,0|0,0,2]=4 2446 B5R0.2 CCSCC#N 1P01AIY1 [1,1,0,0,0,0|1,0,1]=4 2447 B5R0.2 CCSCC=O 1P01AC7G [1,1,0,0,0,0|0,0,0]=2 2448 B5R0.2 CCSCCC 1P003QWW [1,1,0,0,0,0|0,0,1]=3 2449 B5R0.2 CCSSCC 1P00356X [1,1,0,0,0,0|1,0,1]=4 2450 B5R0.2 CC\C=C/CBr 1P005NSO [1,1,0,0,0,0|1,0,1]=4 2451 B5R0.2 CC\C=C/CN 1P028U5O [1,1,0,0,0,0|1,0,1]=4 2452 B5R0.2 CC\C=C/CO 1P001Q0D [1,1,0,0,0,0|1,0,1]=4 2453 B5R0.2 CC\C=C\C=O 1P001Q0F [1,1,0,0,0,0|1,0,1]=4 2454 B5R0.2 CNCC#CC 1P01BEL4 [1,1,0,0,0,0|1,0,1]=4 2455 B5R0.2 CNCCC=C 1P01B1UO [1,1,0,0,0,0|1,0,1]=4 2456 B5R0.2 CNCCC=C 1P01DH0V [1,1,0,0,0,0|1,0,1]=4 2457 B5R0.2 CNCCCBr 1P01BI71 [1,1,0,0,0,0|1,0,1]=4 2458 B5R0.2 CNCCCCl 1P0038YX [1,1,0,0,0,0|1,0,1]=4 2459 B5R0.2 CNCCCF 1P01BITB [1,1,0,0,0,0|1,0,1]=4 2460 B5R0.2 CNCCCN 1P0035UU [1,1,0,0,0,0|1,0,1]=4 2461 B5R0.2 CNCCCO 1P003IPD [1,1,0,0,0,0|1,0,1]=4 2462 B5R0.2 CNCCNC 1P003312 [1,1,0,0,0,0|1,0,1]=4 2463 B5R0.2 CNCCOC 1P0035QY [1,1,0,0,0,0|0,1,1]=4 2464 B5R0.2 CNCCOC 1P009AD0 [1,1,0,0,0,0|0,1,1]=4 2465 B5R0.2 CNCCSC 1P003TMW [1,1,0,0,0,0|0,0,1]=3 2466 B5R0.2 CNCCSC 1P00C2IC [1,1,0,0,0,0|0,0,1]=3 2467 B5R0.2 COCC#CC 1P002UW0 [1,1,0,0,0,0|0,1,1]=4 2468 B5R0.2 COCCC=C 1P01B6VT [1,1,0,0,0,0|0,1,1]=4 2469 B5R0.2 COCCC=O 1P007M22 [1,1,0,0,0,0|0,1,0]=3 2470 B5R0.2 COCCCBr 1P00336E [1,1,0,0,0,0|0,1,1]=4 2471 B5R0.2 COCCCCl 1P00337F [1,1,0,0,0,0|0,1,1]=4 2472 B5R0.2 COCCCI 1P00EKFX [1,1,0,0,0,0|0,1,1]=4 2473 B5R0.2 COCCCN 1P0038DG [1,1,0,0,0,0|0,1,1]=4 2474 B5R0.2 COCCCO 1P001RGO [1,1,0,0,0,0|0,1,1]=4 2475 B5R0.2 COCCCS 1P01AA5Q [1,1,0,0,0,0|0,1,1]=4 2476 B5R0.2 COCCOC 1P002VSH [1,1,0,0,0,0|0,1,1]=4 2477 B5R0.2 COCCOC 1P00331J [1,1,0,0,0,0|0,1,1]=4 2478 B5R0.2 COCCOC 1P00C2HL [1,1,0,0,0,0|0,1,1]=4 2479 B5R0.2 COCCSC 1P01HW79 [1,1,0,0,0,0|0,0,1]=3 2480 B5R0.2 CONCC=C 1P028TWI [1,1,0,0,0,0|0,1,1]=4 2481 B5R0.2 CSCCC#C 1P028WUI [1,1,0,0,0,0|0,0,2]=4 2482 B5R0.2 CSCCC#N 1P00DGHN [1,1,0,0,0,0|0,0,2]=4 2483 B5R0.2 CSCCC=O 1P003IQ1 [1,1,0,0,0,0|0,0,0]=2 2484 B5R0.2 CSCCCBr 1P01ALFA [1,1,0,0,0,0|0,0,1]=3 2485 B5R0.2 CSCCCCl 1P000UI5 [1,1,0,0,0,0|0,0,1]=3 2486 B5R0.2 CSCCCN 1P003IQ4 [1,1,0,0,0,0|0,0,1]=3 2487 B5R0.2 CSCCCN 1P01JMHA [1,1,0,0,0,0|0,0,1]=3 2488 B5R0.2 CSCCCO 1P00I9J4 [1,1,0,0,0,0|0,0,1]=3 2489 B5R0.2 CSCCCS 1P01C2PP [1,1,0,0,0,0|0,0,1]=3 2490 B5R0.2 CSCCON 1P01BHJA [1,1,0,0,0,0|0,0,2]=4 2491 B5R0.2 CSCN=C=O 1P028U9W [1,1,0,0,0,0|0,0,1]=3 2492 B5R0.2 CSSCC=C 1P003SFU [1,1,0,0,0,0|0,0,1]=3 2493 B5R0.2 CSSCCN 1P01BA2Z [1,1,0,0,0,0|1,0,1]=4 2494 B5R0.2 C\C=C\CC#N 1P001WIR [1,1,0,0,0,0|2,0,0]=4 2495 B5R0.2 C\C=C\CCBr 1P005EJH [1,1,0,0,0,0|1,0,1]=4 2496 B5R0.2 C\C=C\CCO 1P008QP2 [1,1,0,0,0,0|1,0,1]=4 2497 B5R0.2 ClCCCC=C 1P00GTCI [1,1,0,0,0,0|1,0,1]=4 2498 B5R0.2 ClCCCC=O 1P00EH8M [1,1,0,0,0,0|1,0,0]=3 2499 B5R0.2 ClCCSCC 1P003HIZ [1,1,0,0,0,0|1,0,1]=4 2500 B5R0.2 ClCOCC=C 1P00COMY [1,1,0,0,0,0|0,1,1]=4 2501 B5R0.2 ClCSCC=C 1P028M92 [1,1,0,0,0,0|0,0,1]=3 2502 B5R0.2 ICCCC=C 1P005H24 [1,1,0,0,0,0|1,0,1]=4 2503 B5R0.2 NCCCC=C 1P002UI5 [1,1,0,0,0,0|1,0,1]=4 2504 B5R0.2 NCCCC=C 1P00BFBD [1,1,0,0,0,0|1,0,1]=4 2505 B5R0.2 NCCSCC 1P003FIX [1,1,0,0,0,0|1,0,1]=4 2506 B5R0.2 NCCSCC 1P003FIY [1,1,0,0,0,0|1,0,1]=4 2507 B5R0.2 O=CCCC#C 1P01DL12 [1,1,0,0,0,0|1,0,1]=4 2508 B5R0.2 O=CCCC=O 1P01DOB9 [1,1,0,0,0,0|1,0,1]=4 2509 B5R0.2 OCCCC=C 1P004WX4 [1,1,0,0,0,0|1,0,1]=4 2510 B5R0.2 OCCCC=O 1P00BGD0 [1,1,0,0,0,0|1,0,0]=3 2511 B5R0.2 OCCOC=O 1P00EL36 [1,1,0,0,0,0|2,0,0]=4 2512 B5R0.2 OCCSCC 1P003QKZ [1,1,0,0,0,0|0,0,2]=4 2513 B5R0.2 SCCSCC 1P007L7A [1,1,0,0,0,0|0,1,1]=4 2514 B7R0.2 *C(OC(=O)C)C* 1P003UAU [0,2,0,0,0,0|2,0,0]=4 2515 B7R0.2 BrCC(=O)NC(C)C 1P0038WV [0,2,0,0,0,0|2,0,0]=4 2516 B7R0.2 BrCC(=O)OC(C)C 1P003RLF [0,2,0,0,0,0|2,0,0]=4 2517 B7R0.2 CC(=C)CC(CO)N 1P01BIQ2 [0,2,0,0,0,0|2,0,0]=4 2518 B7R0.2 CC(=C=C)CC(=O)O 1P028EHI [0,2,0,0,0,0|2,0,0]=4 2519 B7R0.2 CC(=O)NC(=O)CBr 1P007ICG [0,2,0,0,0,0|2,0,0]=4 2520 B7R0.2 CC(=O)NC(=O)CCl 1P001ZL0 [0,2,0,0,0,0|2,0,0]=4 2521 B7R0.2 CC(=O)OC(CBr)Br 1P007NQ4 [0,2,0,0,0,0|2,0,0]=4 2522 B7R0.2 CC(C#N)CC(=O)C 1P00D1CU [0,2,0,0,0,0|1,0,0]=3 2523 B7R0.2 CC(C#N)CC(=O)O 1P01B8RV [0,2,0,0,0,0|2,0,0]=4 2524 B7R0.2 CC(C=C)CC(=O)O 1P002H0Z [0,2,0,0,0,0|2,0,0]=4 2525 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [0,2,0,0,0,0|1,0,1]=4 2526 B7R0.2 CC(CC(=O)CN)Cl 1P01BI4J [0,2,0,0,0,0|1,0,0]=3 2527 B7R0.2 CC(CC(=O)NN)O 1P002OWV [0,2,0,0,0,0|2,0,0]=4 2528 B7R0.2 CC(CC)CC(=O)O 1P00359B [0,2,0,0,0,0|2,0,0]=4 2529 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [0,2,0,0,0,0|2,0,0]=4 2530 B7R0.2 CC(CN(N=O)C)C 1P00D23L [0,2,0,0,0,0|2,0,0]=4 2531 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [0,2,0,0,0,0|2,0,0]=4 2532 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [0,2,0,0,0,0|2,0,0]=4 2533 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [0,2,0,0,0,0|2,0,0]=4 2534 B7R0.2 CC(NC)CC(=O)N 1P00J30L [0,2,0,0,0,0|2,0,0]=4 2535 B7R0.2 CC(NC)CC(=O)O 1P001XOH [0,2,0,0,0,0|2,0,0]=4 2536 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [0,2,0,0,0,0|1,1,0]=4 2538 B7R0.2 CC(SC)CC(=O)O 1P00B61I [0,2,0,0,0,0|1,0,0]=3 2539 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [0,2,0,0,0,0|1,0,0]=3 2540 B7R0.2 CCC(=O)CC(C)C 1P003NCQ [0,2,0,0,0,0|1,0,0]=3 2541 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [0,2,0,0,0,0|1,0,1]=4 2542 B7R0.2 CCC(CC(=O)C)C 1P0038PR [0,2,0,0,0,0|1,0,0]=3 2543 B7R0.2 CCC(CC(=O)O)N 1P003ANY [0,2,0,0,0,0|2,0,0]=4 2544 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [0,2,0,0,0,0|2,0,0]=4 2545 B7R0.2 CCC(CC(=O)O)O 1P0007RC [0,2,0,0,0,0|2,0,0]=4 2546 B7R0.2 CCN(CC(=O)C)C 1P0091DD [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [0,2,0,0,0,0|1,0,1]=4 2548 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [0,2,0,0,0,0|2,0,0]=4 2549 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [0,2,0,0,0,0|2,0,0]=4 2551 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [0,2,0,0,0,0|2,0,0]=4 2552 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [0,2,0,0,0,0|2,0,0]=4 2553 B7R0.2 CN(CC)CC(=O)O 1P003AQF [0,2,0,0,0,0|2,0,0]=4 2554 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [0,2,0,0,0,0|2,0,0]=4 2555 B7R0.2 CNC(=N)CC(C)C 1P027TW0 [0,2,0,0,0,0|2,0,0]=4 2556 B7R0.2 CNC(=O)CC(=N)N 1P00J2YF [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.2 CNC(=O)CC(=O)C 1P00294W [0,2,0,0,0,0|1,0,0]=3 2558 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [0,2,0,0,0,0|2,0,0]=4 2559 B7R0.2 CNC(=O)CC(=S)N 1P00ENNA [0,2,0,0,0,0|2,0,0]=4 2560 B7R0.2 CNC(=O)CC(N)C 1P01C1RO [0,2,0,0,0,0|1,0,0]=3 2561 B7R0.2 CNC(=O)CN(C)C 1P0059D4 [0,2,0,0,0,0|1,0,0]=3 2562 B7R0.2 CNC(=O)C[C@H](O)C 1P027V34 [0,2,0,0,0,0|1,0,0]=3 2563 B7R0.2 CNC(=O)NC(=O)C 1P003ED7 [0,2,0,0,0,0|1,0,1]=4 2564 B7R0.2 CNC(CS(=O)C)C 1P01A733 [0,2,0,0,0,0|2,0,0]=4 2565 B7R0.2 COC(=N)CC(C)C 1P01BS5V [0,2,0,0,0,0|2,0,0]=4 2566 B7R0.2 COC(=O)C=C(C)C 1P003IU0 [0,2,0,0,0,0|1,0,1]=4 2567 B7R0.2 COC(=O)C=C(N)C 1P001I49 [0,2,0,0,0,0|1,0,1]=4 2568 B7R0.2 COC(=O)CC(=C)C 1P00BOHX [0,2,0,0,0,0|1,0,0]=3 2569 B7R0.2 COC(=O)CC(=N)N 1P00J2XS [0,2,0,0,0,0|2,0,0]=4 2570 B7R0.2 COC(=O)CC(=O)C 1P003SFS [0,2,0,0,0,0|0,1,0]=3 2571 B7R0.2 COC(=O)CC(=O)Cl 1P0035NG [0,2,0,0,0,0|1,1,0]=4 2572 B7R0.2 COC(=O)CC(=O)N 1P00DBY3 [0,2,0,0,0,0|1,1,0]=4 2573 B7R0.2 COC(=O)CC(=S)N 1P003S7N [0,2,0,0,0,0|2,0,0]=4 2574 B7R0.2 COC(=O)CC(Br)C 1P007P3N [0,2,0,0,0,0|1,0,0]=3 2575 B7R0.2 COC(=O)CC(C)C 1P0035PM [0,2,0,0,0,0|1,0,0]=3 2576 B7R0.2 COC(=O)CC(F)C 1P028RKB [0,2,0,0,0,0|1,0,0]=3 2577 B7R0.2 COC(=O)CC(N)C 1P009Z7X [0,2,0,0,0,0|1,0,0]=3 2578 B7R0.2 COC(=O)CC(O)C 1P001LLF [0,2,0,0,0,0|1,0,0]=3 2579 B7R0.2 COC(=O)CC(S)C 1P00DGF5 [0,2,0,0,0,0|1,0,0]=3 2580 B7R0.2 COC(=O)CN(C)C 1P003T1V [0,2,0,0,0,0|1,0,0]=3 2581 B7R0.2 COC(=O)CS(=O)C 1P00E2WS [0,2,0,0,0,0|0,0,1]=3 2582 B7R0.2 COC(=O)C[C@@H](N)C 1P001B0R [0,2,0,0,0,0|1,0,0]=3 2583 B7R0.2 COC(=O)C[C@@H](O)C 1P003D49 [0,2,0,0,0,0|1,0,0]=3 2584 B7R0.2 COC(=O)C[C@H](F)C 1P01G18M [0,2,0,0,0,0|1,0,0]=3 2585 B7R0.2 COC(=O)C[C@H](N)C 1P001B0S [0,2,0,0,0,0|1,0,0]=3 2586 B7R0.2 COC(=O)C[C@H](N)C 1P008Y0A [0,2,0,0,0,0|1,0,0]=3 2587 B7R0.2 COC(=O)C[C@H](O)C 1P003RZI [0,2,0,0,0,0|1,0,0]=3 2588 B7R0.2 COC(=O)OC(Cl)C 1P01A6C2 [0,2,0,0,0,0|2,0,0]=4 2589 B7R0.2 COC(=O)SC(C)C 1P01XBN3 [0,2,0,0,0,0|2,0,0]=4 2590 B7R0.2 COC(=O)\C=C(\C)/[O-] 1P007HC6 [0,2,0,0,0,0|1,0,1]=4 2591 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [0,2,0,0,0,0|0,1,1]=4 2592 B7R0.2 CSC(=S)CC(=O)C 1P028YW3 [0,2,0,0,0,0|0,0,0]=2 2593 B7R0.2 C[C@@H](C=C)CC(=O)O 1P005CDB [0,2,0,0,0,0|2,0,0]=4 2594 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [0,2,0,0,0,0|2,0,0]=4 2595 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [0,2,0,0,0,0|2,0,0]=4 2596 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [0,2,0,0,0,0|2,0,0]=4 2597 B7R0.2 ClCC(=O)C=C(C)C 1P003WCV [0,2,0,0,0,0|1,0,1]=4 2598 B7R0.2 ClCC(=O)CC(C)C 1P00CLO7 [0,2,0,0,0,0|1,0,0]=3 2599 B7R0.2 ClCC(=O)NC(C)C 1P002XNF [0,2,0,0,0,0|2,0,0]=4 2600 B7R0.2 ClCC(=O)OC(C)C 1P003RLH [0,2,0,0,0,0|2,0,0]=4 2601 B7R0.2 ClCC(CC(=O)Cl)C 1P00IBOT [0,2,0,0,0,0|2,0,0]=4 2602 B7R0.2 ICC(=O)NC(C)C 1P003TLG [0,2,0,0,0,0|2,0,0]=4 2603 B7R0.2 NCC(=O)CC(C)C 1P007R1H [0,2,0,0,0,0|1,0,0]=3 2604 B7R0.2 NCC(=O)NC(C)C 1P00FDGN [0,2,0,0,0,0|2,0,0]=4 2605 B7R0.2 NCC(=O)NC(C)C 1P00IBC3 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.2 NCC(=O)OC(C)C 1P003REC [0,2,0,0,0,0|2,0,0]=4 2607 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.2 NCC(CC(=O)O)O 1P0036KT [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [0,2,0,0,0,0|2,0,0]=4 2611 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.2 NNC(=O)CC(C)C 1P007O9X [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.2 NNC(=O)CN(C)C 1P00DA0I [0,2,0,0,0,0|2,0,0]=4 2614 B7R0.2 NNC(=O)CN(C)C 1P00EEQJ [0,2,0,0,0,0|2,0,0]=4 2615 B7R0.2 NNC(CC(=O)O)C 1P01BE2H [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.2 O=CC(=CN(C)C)C 1P002FMH [0,2,0,0,0,0|1,0,1]=4 2617 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [0,2,0,0,0,0|1,0,1]=4 2618 B7R0.2 O=NN(CC(=O)O)C 1P0011AW [0,2,0,0,0,0|2,0,0]=4 2619 B7R0.2 OC(=O)CC(=O)CCl 1P002V93 [0,2,0,0,0,0|2,0,0]=4 2620 B7R0.2 OCC(=C)CN(C)C 1P01EN4E [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.2 OCC(=O)NC(C)C 1P01AHTP [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.2 OCC(=O)OC(C)C 1P003RLM [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [0,2,0,0,0,0|2,0,0]=4 2626 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [0,2,0,0,0,0|2,0,0]=4 2627 B7R0.2 SCC(=O)OC(C)C 1P008QDW [0,2,0,0,0,0|2,0,0]=4 2628 B7R0.2 [O-]C(=O)CC(=O)NC 1P028NHN [0,2,0,0,0,0|2,0,0]=4 2629 B7R0.2 [O-]C(=O)CC(=O)OC 1P001XI6 [0,2,0,0,0,0|1,1,0]=4 2630 B7R0.2 [O-]C(=O)CC(=O)OC 1P0035YT [0,2,0,0,0,0|1,1,0]=4 2631 B7R0.2 [O-]C(=O)CC(C#N)C 1P01B8MC [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.2 [O-]C(=O)CC(CO)C 1P01EMTK [0,2,0,0,0,0|2,0,0]=4 2633 B7R0.2 [O-][N+](=O)CC(=O)NC 1P008REX [0,2,0,0,0,0|2,0,0]=4 2634 B7R0.2 [O-][N+](=O)CC(=O)OC 1P002Q2D [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.3 BrCC(=O)CCC=C 1P001E19 [0,2,0,0,0,0|1,0,1]=4 2636 B7R0.3 BrCC(=O)NCC#C 1P019GMV [0,2,0,0,0,0|1,0,1]=4 2637 B7R0.3 BrCCCC(=O)CBr 1P01C40P [0,2,0,0,0,0|1,0,0]=3 2638 B7R0.3 BrCCCC(=O)CC 1P0029WY [0,2,0,0,0,0|1,0,0]=3 2639 B7R0.3 CC(C=O)CCCC 1P006HJQ [0,2,0,0,0,0|1,0,1]=4 2640 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [0,2,0,0,0,0|1,0,1]=4 2641 B7R0.3 CCC(=O)NCC#C 1P01A44S [0,2,0,0,0,0|1,0,1]=4 2642 B7R0.3 CCCCC(=C)CC 1P001UBV [0,2,0,0,0,0|2,0,0]=4 2643 B7R0.3 CCCCC(=O)CBr 1P021RD0 [0,2,0,0,0,0|1,0,0]=3 2644 B7R0.3 CCCCC(=O)CC 1P003JZ2 [0,2,0,0,0,0|1,0,0]=3 2645 B7R0.3 CCCCC(=O)CCl 1P0028ST [0,2,0,0,0,0|1,0,0]=3 2646 B7R0.3 CCCCC(=O)CN 1P01HITA [0,2,0,0,0,0|1,0,0]=3 2647 B7R0.3 CCCCC(=O)NN 1P003VQV [0,2,0,0,0,0|2,0,0]=4 2648 B7R0.3 CCCCC(=O)OC 1P003SJO [0,2,0,0,0,0|1,0,0]=3 2649 B7R0.3 CCCNC(=O)C=C 1P002RS9 [0,2,0,0,0,0|1,0,1]=4 2650 B7R0.3 CCCNC(=O)CBr 1P01ANPB [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.3 CCCNC(=O)CC 1P00CZT8 [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.3 CCCNC(=O)CCl 1P001AW7 [0,2,0,0,0,0|1,0,0]=3 2653 B7R0.3 CCCNC(=O)CN 1P00ED4J [0,2,0,0,0,0|1,0,0]=3 2654 B7R0.3 CCCNC(=O)NN 1P019YGA [0,2,0,0,0,0|2,0,0]=4 2655 B7R0.3 CCCOC(=O)C=C 1P003TSC [0,2,0,0,0,0|1,0,1]=4 2656 B7R0.3 CCCOC(=O)CC 1P0035ZU [0,2,0,0,0,0|1,0,0]=3 2657 B7R0.3 CCCOC(=O)OC 1P00E956 [0,2,0,0,0,0|1,0,0]=3 2658 B7R0.3 CCNCC(=O)NC 1P019NG5 [0,2,0,0,0,0|1,0,0]=3 2659 B7R0.3 CCNCC(=O)NC 1P01EBZ2 [0,2,0,0,0,0|1,0,0]=3 2660 B7R0.3 CCNCC(=O)OC 1P00HCTF [0,2,0,0,0,0|1,0,0]=3 2661 B7R0.3 CCOCC(=O)CCl 1P00FH3Q [0,2,0,0,0,0|0,1,0]=3 2662 B7R0.3 CCOCC(=O)NN 1P00J24C [0,2,0,0,0,0|1,1,0]=4 2663 B7R0.3 CCOCC(=O)NN 1P00J3MV [0,2,0,0,0,0|1,1,0]=4 2664 B7R0.3 CCOCC(=O)OC 1P002545 [0,2,0,0,0,0|0,1,0]=3 2665 B7R0.3 CCONC(=O)CBr 1P028YA5 [0,2,0,0,0,0|1,1,0]=4 2666 B7R0.3 CCONC(=O)CN 1P01C6ZE [0,2,0,0,0,0|1,1,0]=4 2667 B7R0.3 CCONC(=O)CO 1P021TGZ [0,2,0,0,0,0|1,1,0]=4 2668 B7R0.3 CCSCC(=O)OC 1P002AX7 [0,2,0,0,0,0|0,0,0]=2 2669 B7R0.3 CCSCC(NC)C 1P019THP [0,2,0,0,0,0|1,0,1]=4 2670 B7R0.3 CCSC[C@H](CO)N 1P0281AQ [0,2,0,0,0,0|1,0,1]=4 2671 B7R0.3 CCSC[C@H](CO)N 1P0288M7 [0,2,0,0,0,0|1,0,1]=4 2672 B7R0.3 CC\C=C\C(=O)OC 1P001QA2 [0,2,0,0,0,0|1,0,1]=4 2673 B7R0.3 CN(N=O)CCCO 1P00374Z [0,2,0,0,0,0|2,0,0]=4 2674 B7R0.3 CN(N=O)CCNC 1P0291RR [0,2,0,0,0,0|2,0,0]=4 2675 B7R0.3 CN(N=O)CCNC 1P0292GD [0,2,0,0,0,0|2,0,0]=4 2676 B7R0.3 CNC(=O)CCC#C 1P027V64 [0,2,0,0,0,0|1,0,1]=4 2677 B7R0.3 CNC(=O)CCCCl 1P019VUY [0,2,0,0,0,0|1,0,0]=3 2678 B7R0.3 CNC(=O)CCCN 1P00AXOC [0,2,0,0,0,0|1,0,0]=3 2679 B7R0.3 CNC(=O)CCCS 1P01A62M [0,2,0,0,0,0|1,0,0]=3 2680 B7R0.3 CNC(=O)NCC#C 1P01CASO [0,2,0,0,0,0|1,0,1]=4 2681 B7R0.3 CNC(=O)NCCO 1P00EE24 [0,2,0,0,0,0|2,0,0]=4 2682 B7R0.3 CNC(=O)OCCO 1P0011WV [0,2,0,0,0,0|2,0,0]=4 2683 B7R0.3 CNCCC(=O)NC 1P003TN5 [0,2,0,0,0,0|1,0,0]=3 2684 B7R0.3 CNCCC(=O)NC 1P00EEY9 [0,2,0,0,0,0|1,0,0]=3 2685 B7R0.3 CNCCC(=O)NN 1P027U3C [0,2,0,0,0,0|2,0,0]=4 2686 B7R0.3 CNCCC(=O)OC 1P002OYU [0,2,0,0,0,0|1,0,0]=3 2687 B7R0.3 CNCCC(=O)OC 1P00IBX1 [0,2,0,0,0,0|1,0,0]=3 2688 B7R0.3 CNOCC(=O)OC 1P01EKGE [0,2,0,0,0,0|0,1,0]=3 2689 B7R0.3 COC(=N)CCCCl 1P00GAH1 [0,2,0,0,0,0|2,0,0]=4 2690 B7R0.3 COC(=O)C#CCCl 1P00D7BQ [0,2,0,0,0,0|1,0,1]=4 2691 B7R0.3 COC(=O)C#CCN 1P01AD9E [0,2,0,0,0,0|1,0,1]=4 2692 B7R0.3 COC(=O)C#CCO 1P00CNJX [0,2,0,0,0,0|1,0,1]=4 2693 B7R0.3 COC(=O)C=CCBr 1P00EAIU [0,2,0,0,0,0|1,0,1]=4 2694 B7R0.3 COC(=O)CCC#C 1P00C4D8 [0,2,0,0,0,0|1,0,1]=4 2695 B7R0.3 COC(=O)CCC#N 1P003S8Q [0,2,0,0,0,0|1,0,1]=4 2696 B7R0.3 COC(=O)CCC=C 1P003SCU [0,2,0,0,0,0|1,0,1]=4 2697 B7R0.3 COC(=O)CCC=O 1P0036KR [0,2,0,0,0,0|1,0,1]=4 2698 B7R0.3 COC(=O)CCCBr 1P0035O3 [0,2,0,0,0,0|1,0,0]=3 2699 B7R0.3 COC(=O)CCCCl 1P0034GP [0,2,0,0,0,0|1,0,0]=3 2700 B7R0.3 COC(=O)CCCI 1P003SCF [0,2,0,0,0,0|1,0,0]=3 2701 B7R0.3 COC(=O)CCCN 1P000UR2 [0,2,0,0,0,0|1,0,0]=3 2702 B7R0.3 COC(=O)CCCS 1P00C7YW [0,2,0,0,0,0|1,0,0]=3 2703 B7R0.3 COC(=O)CN=C=O 1P0032AJ [0,2,0,0,0,0|1,0,1]=4 2704 B7R0.3 COC(=O)CN=C=S 1P002LBM [0,2,0,0,0,0|1,0,1]=4 2705 B7R0.3 COC(=O)CNC=O 1P003TI3 [0,2,0,0,0,0|1,0,1]=4 2706 B7R0.3 COC(=O)NCC#C 1P00KDUM [0,2,0,0,0,0|1,0,1]=4 2707 B7R0.3 COC(=O)NCCN 1P01C256 [0,2,0,0,0,0|2,0,0]=4 2708 B7R0.3 COC(=O)NCCO 1P01AK5W [0,2,0,0,0,0|2,0,0]=4 2709 B7R0.3 COC(=O)OCC=C 1P0034WL [0,2,0,0,0,0|1,0,1]=4 2710 B7R0.3 COC(=O)\C=C\CBr 1P0039JW [0,2,0,0,0,0|1,0,1]=4 2711 B7R0.3 COC(=O)\C=C\CN 1P01KKZ5 [0,2,0,0,0,0|1,0,1]=4 2712 B7R0.3 COC(=O)\C=C\CO 1P002Z9E [0,2,0,0,0,0|1,0,1]=4 2713 B7R0.3 COC=CC(=O)OC 1P00E9GS [0,2,0,0,0,0|0,1,1]=4 2714 B7R0.3 COCCC(=N)NC 1P01BSNW [0,2,0,0,0,0|1,1,0]=4 2715 B7R0.3 COCCC(=O)CBr 1P027L2W [0,2,0,0,0,0|0,1,0]=3 2716 B7R0.3 COCCC(=O)CCl 1P01A0MB [0,2,0,0,0,0|0,1,0]=3 2717 B7R0.3 COCCC(=O)NC 1P01EW86 [0,2,0,0,0,0|0,1,0]=3 2718 B7R0.3 COCCC(=O)NN 1P006Z23 [0,2,0,0,0,0|1,1,0]=4 2719 B7R0.3 COCCC(=O)OC 1P003S9I [0,2,0,0,0,0|0,1,0]=3 2720 B7R0.3 COCCS(=O)CCl 1P027XKL [0,2,0,0,0,0|1,1,0]=4 2721 B7R0.3 COCNC(=O)OC 1P007I6E [0,2,0,0,0,0|0,1,0]=3 2722 B7R0.3 COCOC(=C)CCl 1P003FH2 [0,2,0,0,0,0|1,1,0]=4 2723 B7R0.3 COCOC(=O)CC 1P01DXTO [0,2,0,0,0,0|0,1,0]=3 2724 B7R0.3 CO\C=C\C(=O)OC 1P0035NO [0,2,0,0,0,0|0,1,1]=4 2725 B7R0.3 CSC=CC(=O)OC 1P01BI6J [0,2,0,0,0,0|0,0,1]=3 2726 B7R0.3 CSCCC(=N)OC 1P027XZL [0,2,0,0,0,0|1,0,0]=3 2727 B7R0.3 CSCCC(=O)NC 1P028IDE [0,2,0,0,0,0|0,0,0]=2 2728 B7R0.3 CSCCC(=O)OC 1P003S6K [0,2,0,0,0,0|0,0,0]=2 2729 B7R0.3 CSCCC(CN)O 1P01BVQ4 [0,2,0,0,0,0|0,0,2]=4 2730 B7R0.3 CSCCC(CO)N 1P001XOC [0,2,0,0,0,0|1,0,1]=4 2731 B7R0.3 CSCCC(NC)C 1P01AJZ1 [0,2,0,0,0,0|1,0,1]=4 2732 B7R0.3 CSCC[C@@H](CN)N 1P01BVRW [0,2,0,0,0,0|1,0,1]=4 2733 B7R0.3 CSCC[C@@H](CO)N 1P002VLL [0,2,0,0,0,0|1,0,1]=4 2734 B7R0.3 CSCC[C@H](CO)N 1P004S8I [0,2,0,0,0,0|1,0,1]=4 2735 B7R0.3 C[C@H](C=O)CCCC 1P006QRH [0,2,0,0,0,0|1,0,1]=4 2736 B7R0.3 ClCC(=O)CCC=C 1P005QNE [0,2,0,0,0,0|1,0,1]=4 2737 B7R0.3 ClCC(=O)NCC#C 1P00FMIW [0,2,0,0,0,0|1,0,1]=4 2738 B7R0.3 ClCC(=O)NCC#N 1P00293U [0,2,0,0,0,0|2,0,0]=4 2739 B7R0.3 ClCC(=O)NCC=C 1P0011HW [0,2,0,0,0,0|1,0,1]=4 2740 B7R0.3 ClCC(=O)OCC=C 1P002XZO [0,2,0,0,0,0|1,0,1]=4 2741 B7R0.3 ClCCCC(=O)CC 1P01AC2E [0,2,0,0,0,0|1,0,0]=3 2742 B7R0.3 ClCCCC(=O)CCl 1P005KNM [0,2,0,0,0,0|1,0,0]=3 2743 B7R0.3 FCCNC(=O)CN 1P01BI6W [0,2,0,0,0,0|2,0,0]=4 2744 B7R0.3 ICC(=O)NCC#C 1P01DVDE [0,2,0,0,0,0|1,0,1]=4 2745 B7R0.3 ICC(=O)OCC=C 1P01J5G6 [0,2,0,0,0,0|1,0,1]=4 2746 B7R0.3 ICCCC(=O)CC 1P0292M5 [0,2,0,0,0,0|1,0,0]=3 2747 B7R0.3 NCC(=O)NCC#C 1P01A8LX [0,2,0,0,0,0|1,0,1]=4 2748 B7R0.3 NCC(=O)NCC#N 1P01BBB1 [0,2,0,0,0,0|2,0,0]=4 2749 B7R0.3 NCC(=O)NCC#N 1P01BBB2 [0,2,0,0,0,0|2,0,0]=4 2750 B7R0.3 NCC(=O)NCC=C 1P01A5GU [0,2,0,0,0,0|1,0,1]=4 2751 B7R0.3 NCC(=O)OCC#C 1P028OYB [0,2,0,0,0,0|1,0,1]=4 2752 B7R0.3 NCC(=O)OCC=C 1P020L68 [0,2,0,0,0,0|1,0,1]=4 2753 B7R0.3 NCC(CCSC)N 1P01A4TF [0,2,0,0,0,0|1,0,1]=4 2754 B7R0.3 NCCCC(=O)NO 1P0282A5 [0,2,0,0,0,0|2,0,0]=4 2755 B7R0.3 NCCNC(=O)CC 1P01DTQO [0,2,0,0,0,0|2,0,0]=4 2756 B7R0.3 NCCNC(=O)CC 1P01XCPR [0,2,0,0,0,0|2,0,0]=4 2757 B7R0.3 NCCNC(=O)CCl 1P01KKS1 [0,2,0,0,0,0|2,0,0]=4 2758 B7R0.3 NCCNC(=O)CN 1P02802M [0,2,0,0,0,0|2,0,0]=4 2759 B7R0.3 NCCNC(=O)CO 1P027UD6 [0,2,0,0,0,0|2,0,0]=4 2760 B7R0.3 NCCNC(=O)NC 1P01C42K [0,2,0,0,0,0|2,0,0]=4 2761 B7R0.3 NC\C=C\C(=O)OC 1P00IN61 [0,2,0,0,0,0|1,0,1]=4 2762 B7R0.3 NNC(=O)CCCO 1P003M01 [0,2,0,0,0,0|2,0,0]=4 2763 B7R0.3 NOCCC(=O)OC 1P028O5H [0,2,0,0,0,0|1,1,0]=4 2764 B7R0.3 OCC(=O)NCC=C 1P01B8FI [0,2,0,0,0,0|1,0,1]=4 2765 B7R0.3 OCCNC(=O)CC 1P0024IT [0,2,0,0,0,0|2,0,0]=4 2766 B7R0.3 OCCNC(=O)CN 1P008OS2 [0,2,0,0,0,0|2,0,0]=4 2767 B7R0.3 OCCNC(=O)CO 1P007ESF [0,2,0,0,0,0|2,0,0]=4 2768 B7R0.3 OCCOC(=O)CC 1P002P1Q [0,2,0,0,0,0|2,0,0]=4 2769 B7R0.3 [N-]=[N+]=NCC(=O)CC 1P027UC9 [0,2,0,0,0,0|2,0,0]=4 2770 B7R0.3 [N-]=[N+]=NCC(=O)NC 1P006ASX [0,2,0,0,0,0|2,0,0]=4 2771 B7R0.3 [N-]=[N+]=NCC(=O)OC 1P0023FK [0,2,0,0,0,0|2,0,0]=4 2772 B7R0.5 BrCCC(=O)N(C)C 1P0072TR [0,2,0,0,0,0|2,0,0]=4 2773 B7R0.5 CC(=O)C(CCBr)Br 1P01DX0N [0,2,0,0,0,0|1,0,0]=3 2774 B7R0.5 CC(=O)C(CCBr)F 1P00ELFB [0,2,0,0,0,0|1,0,0]=3 2775 B7R0.5 CC(=O)C(CCCl)Cl 1P00EM1D [0,2,0,0,0,0|1,0,0]=3 2776 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [0,2,0,0,0,0|1,0,0]=3 2777 B7R0.5 CC(C(=N)N)SCC 1P01A25V [0,2,0,0,0,0|2,0,0]=4 2778 B7R0.5 CC(C(=O)C)CC=C 1P01AAP2 [0,2,0,0,0,0|1,0,1]=4 2779 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [0,2,0,0,0,0|1,0,0]=3 2780 B7R0.5 CC(C(=O)C)SC#N 1P00F1MD [0,2,0,0,0,0|0,0,1]=3 2781 B7R0.5 CC(C(=O)CC#N)C 1P002Z2H [0,2,0,0,0,0|2,0,0]=4 2782 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [0,2,0,0,0,0|1,0,1]=4 2783 B7R0.5 CC(C(=O)N)CCC 1P00607Q [0,2,0,0,0,0|1,0,1]=4 2784 B7R0.5 CC(C(=O)N)CCO 1P0077PI [0,2,0,0,0,0|2,0,0]=4 2785 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [0,2,0,0,0,0|2,0,0]=4 2786 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [0,2,0,0,0,0|1,0,1]=4 2787 B7R0.5 CC(C(=O)O)CCN 1P007QFU [0,2,0,0,0,0|2,0,0]=4 2788 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [0,2,0,0,0,0|1,0,1]=4 2789 B7R0.5 CC(C(=O)O)COC 1P007XM3 [0,2,0,0,0,0|0,1,1]=4 2790 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [0,2,0,0,0,0|0,0,1]=3 2791 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [0,2,0,0,0,0|2,0,0]=4 2792 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [0,2,0,0,0,0|1,1,0]=4 2793 B7R0.5 CC(C(=O)O)SCC 1P002A2O [0,2,0,0,0,0|1,0,0]=3 2794 B7R0.5 CC(S(=O)C)CCN 1P01A1CY [0,2,0,0,0,0|2,0,0]=4 2795 B7R0.5 CCCC(=C)C(=O)Cl 1P005BJY [0,2,0,0,0,0|1,0,1]=4 2796 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [0,2,0,0,0,0|1,0,1]=4 2797 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [0,2,0,0,0,0|1,0,0]=3 2798 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [0,2,0,0,0,0|1,0,1]=4 2799 B7R0.5 CCCC(=O)C(C)C 1P003I37 [0,2,0,0,0,0|1,0,0]=3 2800 B7R0.5 CCCC(=O)N(C)C 1P003T1N [0,2,0,0,0,0|1,0,0]=3 2801 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [0,2,0,0,0,0|1,0,0]=3 2802 B7R0.5 CCCC(C(=O)N)Br 1P02852A [0,2,0,0,0,0|2,0,0]=4 2803 B7R0.5 CCCC(C(=O)N)N 1P01B51A [0,2,0,0,0,0|2,0,0]=4 2804 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [0,2,0,0,0,0|2,0,0]=4 2805 B7R0.5 CCCC(C(=O)O)F 1P00B18T [0,2,0,0,0,0|2,0,0]=4 2806 B7R0.5 CCCC(C(=O)O)N 1P0036YR [0,2,0,0,0,0|2,0,0]=4 2807 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [0,2,0,0,0,0|2,0,0]=4 2808 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [0,2,0,0,0,0|2,0,0]=4 2809 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [0,2,0,0,0,0|2,0,0]=4 2810 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [0,2,0,0,0,0|2,0,0]=4 2811 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [0,2,0,0,0,0|2,0,0]=4 2812 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [0,2,0,0,0,0|2,0,0]=4 2813 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [0,2,0,0,0,0|2,0,0]=4 2814 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [0,2,0,0,0,0|2,0,0]=4 2815 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [0,2,0,0,0,0|2,0,0]=4 2816 B7R0.5 CCNC(=O)C(Cl)C 1P0063NN [0,2,0,0,0,0|2,0,0]=4 2817 B7R0.5 CCNC(=O)C(N)C 1P008VMH [0,2,0,0,0,0|2,0,0]=4 2818 B7R0.5 CCNC(=O)C(N)C 1P0098LW [0,2,0,0,0,0|2,0,0]=4 2819 B7R0.5 CCNC(=O)N(N)C 1P01A4FK [0,2,0,0,0,0|2,0,0]=4 2820 B7R0.5 CCNC(=O)[C@@H](N)C 1P005QE2 [0,2,0,0,0,0|2,0,0]=4 2821 B7R0.5 CCNC(=O)[C@@H](O)C 1P00BBOD [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.5 CCOC(=O)C(=C)C 1P003QWF [0,2,0,0,0,0|2,0,0]=4 2823 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [0,2,0,0,0,0|0,1,1]=4 2824 B7R0.5 CCOC(=O)C(Br)Br 1P003QVF [0,2,0,0,0,0|2,0,0]=4 2825 B7R0.5 CCOC(=O)C(Br)C 1P0035B0 [0,2,0,0,0,0|2,0,0]=4 2826 B7R0.5 CCOC(=O)C(Br)F 1P0035CL [0,2,0,0,0,0|2,0,0]=4 2827 B7R0.5 CCOC(=O)C(C)C 1P005ZBF [0,2,0,0,0,0|2,0,0]=4 2828 B7R0.5 CCOC(=O)C(Cl)C 1P003QKG [0,2,0,0,0,0|2,0,0]=4 2829 B7R0.5 CCOC(=O)C(Cl)Cl 1P003QVG [0,2,0,0,0,0|2,0,0]=4 2830 B7R0.5 CCOC(=O)C(Cl)F 1P003QV7 [0,2,0,0,0,0|2,0,0]=4 2831 B7R0.5 CCOC(=O)C(F)C 1P000XDF [0,2,0,0,0,0|2,0,0]=4 2832 B7R0.5 CCOC(=O)C(F)F 1P0035DT [0,2,0,0,0,0|2,0,0]=4 2833 B7R0.5 CCOC(=O)C(I)C 1P00BE4W [0,2,0,0,0,0|2,0,0]=4 2834 B7R0.5 CCOC(=O)C(I)F 1P00I8BT [0,2,0,0,0,0|2,0,0]=4 2835 B7R0.5 CCOC(=O)C(I)I 1P028IJU [0,2,0,0,0,0|2,0,0]=4 2836 B7R0.5 CCOC(=O)C(N)C 1P0037FG [0,2,0,0,0,0|2,0,0]=4 2837 B7R0.5 CCOC(=O)C(S)C 1P002BLG [0,2,0,0,0,0|2,0,0]=4 2838 B7R0.5 CCOC(=O)N(C)C 1P003QVJ [0,2,0,0,0,0|2,0,0]=4 2839 B7R0.5 CCOC(=O)N(N)C 1P005GO9 [0,2,0,0,0,0|2,0,0]=4 2840 B7R0.5 CCOC(=O)[C@@H](Br)C 1P0030CM [0,2,0,0,0,0|2,0,0]=4 2841 B7R0.5 CCOC(=O)[C@@H](F)C 1P028T69 [0,2,0,0,0,0|2,0,0]=4 2842 B7R0.5 CCOC(=O)[C@@H](N)C 1P0035JM [0,2,0,0,0,0|2,0,0]=4 2843 B7R0.5 CCOC(=O)[C@@H](O)C 1P0037A3 [0,2,0,0,0,0|2,0,0]=4 2844 B7R0.5 CCOC(=O)[C@H](F)C 1P005NLB [0,2,0,0,0,0|2,0,0]=4 2845 B7R0.5 CCOC(=O)[C@H](N)C 1P003POW [0,2,0,0,0,0|2,0,0]=4 2846 B7R0.5 CCOC(=O)[C@H](O)C 1P0035CT [0,2,0,0,0,0|2,0,0]=4 2847 B7R0.5 CCSC(=O)[C@@H](N)C 1P01KKNJ [0,2,0,0,0,0|2,0,0]=4 2848 B7R0.5 CN(C(=O)C)CC#C 1P002812 [0,2,0,0,0,0|1,0,1]=4 2849 B7R0.5 CN(C(=O)C)CC#N 1P028V7M [0,2,0,0,0,0|2,0,0]=4 2850 B7R0.5 CN(C(=O)C)CC=C 1P01BG7T [0,2,0,0,0,0|1,0,1]=4 2851 B7R0.5 CN(C(=O)C)CCCl 1P01G5MO [0,2,0,0,0,0|2,0,0]=4 2852 B7R0.5 CN(C(=O)C)CCN 1P00H55D [0,2,0,0,0,0|2,0,0]=4 2853 B7R0.5 CN(C(=O)C)CCO 1P001OKA [0,2,0,0,0,0|2,0,0]=4 2854 B7R0.5 CN(C(=O)CC#N)C 1P0035S1 [0,2,0,0,0,0|2,0,0]=4 2855 B7R0.5 CN(C(=O)C[N+]#[C-])C 1P01C8JX [0,2,0,0,0,0|1,0,1]=4 2856 B7R0.5 CN(C(=O)Cl)CCC 1P00E2CP [0,2,0,0,0,0|2,0,0]=4 2857 B7R0.5 CNCC(=O)N(C)C 1P006MYL [0,2,0,0,0,0|1,0,0]=3 2858 B7R0.5 CNCC(=O)N(C)C 1P00AP8H [0,2,0,0,0,0|1,0,0]=3 2859 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [0,2,0,0,0,0|2,0,0]=4 2860 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [0,2,0,0,0,0|2,0,0]=4 2861 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [0,2,0,0,0,0|0,1,1]=4 2862 B7R0.5 COCC(=O)C(C)C 1P01ALE6 [0,2,0,0,0,0|0,1,0]=3 2863 B7R0.5 COCC(=O)N(C)C 1P00BZX1 [0,2,0,0,0,0|0,1,0]=3 2864 B7R0.5 COCC(=O)N(N)C 1P0291GK [0,2,0,0,0,0|0,1,0]=3 2865 B7R0.5 COCC(C(=O)C)C 1P00AXOM [0,2,0,0,0,0|0,1,0]=3 2866 B7R0.5 COCC(C(=O)N)N 1P01A3LI [0,2,0,0,0,0|1,1,0]=4 2867 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [0,2,0,0,0,0|1,1,0]=4 2868 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [0,2,0,0,0,0|1,1,0]=4 2869 B7R0.5 COCC(C(=O)O)N 1P00I6NY [0,2,0,0,0,0|1,1,0]=4 2870 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [0,2,0,0,0,0|1,1,0]=4 2871 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [0,2,0,0,0,0|1,1,0]=4 2872 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [0,2,0,0,0,0|1,1,0]=4 2873 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [0,2,0,0,0,0|1,1,0]=4 2874 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [0,2,0,0,0,0|1,1,0]=4 2875 B7R0.5 CSCC(C(=O)O)O 1P001OTX [0,2,0,0,0,0|1,0,0]=3 2876 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [0,2,0,0,0,0|1,0,0]=3 2877 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [0,2,0,0,0,0|0,1,1]=4 2878 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [0,2,0,0,0,0|2,0,0]=4 2879 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [0,2,0,0,0,0|0,1,1]=4 2880 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [0,2,0,0,0,0|2,0,0]=4 2881 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [0,2,0,0,0,0|1,1,0]=4 2882 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [0,2,0,0,0,0|1,0,1]=4 2883 B7R0.5 C\C(=N/OC)\C(=O)O 1P01KKJY [0,2,0,0,0,0|1,1,0]=4 2884 B7R0.5 ClC(=O)C(CCBr)Br 1P003G6I [0,2,0,0,0,0|2,0,0]=4 2885 B7R0.5 ClCCC(=O)N(C)C 1P007CZH [0,2,0,0,0,0|2,0,0]=4 2886 B7R0.5 ClCCC(C(=O)Cl)C 1P00I9PJ [0,2,0,0,0,0|2,0,0]=4 2887 B7R0.5 NC(=O)C(CCO)O 1P0286EP [0,2,0,0,0,0|2,0,0]=4 2888 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [0,2,0,0,0,0|2,0,0]=4 2889 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [0,2,0,0,0,0|2,0,0]=4 2890 B7R0.5 NC(C(=O)O)CCN 1P0030UF [0,2,0,0,0,0|2,0,0]=4 2891 B7R0.5 NC(C(=O)O)CCS 1P00396E [0,2,0,0,0,0|2,0,0]=4 2892 B7R0.5 NCCC(=O)C(F)F 1P0293OJ [0,2,0,0,0,0|2,0,0]=4 2893 B7R0.5 NCCC(=O)N(C)C 1P00ADJW [0,2,0,0,0,0|2,0,0]=4 2894 B7R0.5 NCCC(=O)N(C)C 1P00J2K2 [0,2,0,0,0,0|2,0,0]=4 2895 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [0,2,0,0,0,0|2,0,0]=4 2896 B7R0.5 NCCC(C(=O)O)N 1P003598 [0,2,0,0,0,0|2,0,0]=4 2897 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [0,2,0,0,0,0|2,0,0]=4 2898 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [0,2,0,0,0,0|2,0,0]=4 2899 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [0,2,0,0,0,0|2,0,0]=4 2900 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [0,2,0,0,0,0|2,0,0]=4 2901 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [0,2,0,0,0,0|2,0,0]=4 2902 B7R0.5 NOCC(=O)N(C)C 1P02883Z [0,2,0,0,0,0|1,1,0]=4 2903 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [0,2,0,0,0,0|2,0,0]=4 2904 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [0,2,0,0,0,0|2,0,0]=4 2905 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [0,2,0,0,0,0|2,0,0]=4 2906 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [0,2,0,0,0,0|2,0,0]=4 2907 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [0,2,0,0,0,0|2,0,0]=4 2908 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [0,2,0,0,0,0|2,0,0]=4 2909 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [0,2,0,0,0,0|2,0,0]=4 2910 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [0,2,0,0,0,0|2,0,0]=4 2911 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [0,2,0,0,0,0|2,0,0]=4 2912 B7R0.5 OCCC(=O)C(C)C 1P009DD1 [0,2,0,0,0,0|2,0,0]=4 2913 B7R0.5 OCCC(=O)N(C)C 1P002XZ7 [0,2,0,0,0,0|2,0,0]=4 2914 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [0,2,0,0,0,0|2,0,0]=4 2915 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [0,2,0,0,0,0|2,0,0]=4 2916 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [0,2,0,0,0,0|2,0,0]=4 2917 B7R0.5 [O-]C(=O)C(COC)O 1P0285SZ [0,2,0,0,0,0|1,1,0]=4 2918 B7R0.7 BrCCC(=O)CCBr 1P001CLU [0,2,0,0,0,0|2,0,0]=4 2919 B7R0.7 BrCCC(=O)NCC 1P01STCA [0,2,0,0,0,0|2,0,0]=4 2920 B7R0.7 BrCCC(=O)OCC 1P0035BI [0,2,0,0,0,0|2,0,0]=4 2921 B7R0.7 CC(=CCBr)COC 1P01CAOQ [0,2,0,0,0,0|1,1,0]=4 2922 B7R0.7 CC(=CCO)CSC 1P028SVZ [0,2,0,0,0,0|0,0,1]=3 2923 B7R0.7 CC(N=C=O)CCC 1P01B3IO [0,2,0,0,0,0|1,0,1]=4 2924 B7R0.7 CC(N=C=O)COC 1P01ADQS [0,2,0,0,0,0|0,1,1]=4 2925 B7R0.7 CCCC(=C)CCO 1P028FMM [0,2,0,0,0,0|2,0,0]=4 2926 B7R0.7 CCCC(=N)OCC 1P00JTEH [0,2,0,0,0,0|2,0,0]=4 2927 B7R0.7 CCCC(=O)CCC 1P000KD4 [0,2,0,0,0,0|1,0,0]=3 2928 B7R0.7 CCCC(=O)CCN 1P028CRC [0,2,0,0,0,0|1,0,0]=3 2929 B7R0.7 CCCC(=O)OCBr 1P0289LM [0,2,0,0,0,0|1,0,0]=3 2930 B7R0.7 CCCC(=O)OCC 1P00351H [0,2,0,0,0,0|1,0,0]=3 2931 B7R0.7 CCCC(=O)OCCl 1P007D9T [0,2,0,0,0,0|1,0,0]=3 2932 B7R0.7 CCCC(CC=O)C 1P002GOG [0,2,0,0,0,0|1,0,1]=4 2933 B7R0.7 CCNC(=O)CC#N 1P001MY4 [0,2,0,0,0,0|2,0,0]=4 2934 B7R0.7 CCNC(=O)NCC 1P003E0B [0,2,0,0,0,0|2,0,0]=4 2935 B7R0.7 CCNC(=O)OCC 1P003QWP [0,2,0,0,0,0|2,0,0]=4 2936 B7R0.7 CCOC(=O)C#CC 1P0037PO [0,2,0,0,0,0|1,0,1]=4 2937 B7R0.7 CCOC(=O)CC#C 1P00DG5U [0,2,0,0,0,0|1,0,1]=4 2938 B7R0.7 CCOC(=O)CC#N 1P0038SS [0,2,0,0,0,0|2,0,0]=4 2939 B7R0.7 CCOC(=O)CC=C 1P001WAA [0,2,0,0,0,0|1,0,1]=4 2940 B7R0.7 CCOC(=O)CC=O 1P0037SO [0,2,0,0,0,0|2,0,0]=4 2941 B7R0.7 CCOC(=O)CNN 1P0035CX [0,2,0,0,0,0|2,0,0]=4 2942 B7R0.7 CCOC(=O)CNN 1P01B6UN [0,2,0,0,0,0|2,0,0]=4 2943 B7R0.7 CCOC(=O)CON 1P00CTC8 [0,2,0,0,0,0|1,1,0]=4 2944 B7R0.7 CCOC(=O)OCC 1P00356U [0,2,0,0,0,0|2,0,0]=4 2945 B7R0.7 CCOC(=O)OCCl 1P00399D [0,2,0,0,0,0|2,0,0]=4 2946 B7R0.7 CCOC(=O)OCI 1P0052YB [0,2,0,0,0,0|2,0,0]=4 2947 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [0,2,0,0,0,0|1,0,1]=4 2948 B7R0.7 CCSC(=O)SCC 1P003Q8V [0,2,0,0,0,0|2,0,0]=4 2949 B7R0.7 CNCC(=O)NCC 1P00GS3R [0,2,0,0,0,0|1,0,0]=3 2950 B7R0.7 CNCC(=O)OCC 1P0010IK [0,2,0,0,0,0|1,0,0]=3 2951 B7R0.7 CNCC(=O)OCC 1P0037KZ [0,2,0,0,0,0|1,0,0]=3 2952 B7R0.7 COCC(=N)OCC 1P01EIR8 [0,2,0,0,0,0|1,1,0]=4 2953 B7R0.7 COCC(=O)COC 1P003E0W [0,2,0,0,0,0|0,1,0]=3 2954 B7R0.7 COCC(=O)OCC 1P003QWG [0,2,0,0,0,0|0,1,0]=3 2955 B7R0.7 COCC(CC=O)C 1P0292UC [0,2,0,0,0,0|0,1,1]=4 2956 B7R0.7 CSCC(=N)OCC 1P028M5K [0,2,0,0,0,0|1,0,0]=3 2957 B7R0.7 CSCC(=O)CCN 1P027ZVY [0,2,0,0,0,0|0,0,0]=2 2958 B7R0.7 CSCC(=O)OCC 1P00DEUP [0,2,0,0,0,0|0,0,0]=2 2959 B7R0.7 CSCC(CCO)N 1P018SSM [0,2,0,0,0,0|1,0,1]=4 2960 B7R0.7 ClCCC(=O)CCCl 1P00C63H [0,2,0,0,0,0|2,0,0]=4 2961 B7R0.7 ClCCC(=O)NCC 1P00C90F [0,2,0,0,0,0|2,0,0]=4 2962 B7R0.7 ClCCC(=O)OCC 1P0037NW [0,2,0,0,0,0|2,0,0]=4 2963 B7R0.7 ICCC(=O)CCI 1P028HD4 [0,2,0,0,0,0|2,0,0]=4 2964 B7R0.7 ICCC(=O)OCC 1P003QOM [0,2,0,0,0,0|2,0,0]=4 2965 B7R0.7 NCCC(=O)CCN 1P0291V4 [0,2,0,0,0,0|2,0,0]=4 2966 B7R0.7 NCCC(=O)OCC 1P003QNU [0,2,0,0,0,0|2,0,0]=4 2967 B7R0.7 OCCC(=O)CCCl 1P027TLK [0,2,0,0,0,0|2,0,0]=4 2968 B7R0.7 OCCC(=O)CCO 1P00BZ06 [0,2,0,0,0,0|2,0,0]=4 2969 B7R0.7 OCCC(=O)NCC 1P01BB4T [0,2,0,0,0,0|2,0,0]=4 2970 B7R0.7 OCCC(=O)OCC 1P0035BL [0,2,0,0,0,0|2,0,0]=4 2971 B7R0.7 SCCC(=O)OCC 1P003QOP [0,2,0,0,0,0|2,0,0]=4 2972 B7R0.7 [C-]#[N+]CC(=O)OCC 1P00I61H [0,2,0,0,0,0|1,0,1]=4 2973 B7R0.10 BrCC(=O)C(=O)OC 1P008R54 [0,2,0,0,0,0|0,1,1]=4 2974 B7R0.10 CC(C(=O)CC)C#N 1P019VUI [0,2,0,0,0,0|2,0,0]=4 2975 B7R0.10 CC(C(=O)CCl)OC 1P028XWI [0,2,0,0,0,0|0,1,0]=3 2976 B7R0.10 CC(C(=O)NC)CN 1P00J2NA [0,2,0,0,0,0|2,0,0]=4 2977 B7R0.10 CC(C(=O)NN)CC 1P00FUHT [0,2,0,0,0,0|2,0,0]=4 2978 B7R0.10 CC(C(=O)NN)OC 1P0046XB [0,2,0,0,0,0|1,1,0]=4 2979 B7R0.10 CC(C(=O)OC)C#N 1P001E8T [0,2,0,0,0,0|2,0,0]=4 2980 B7R0.10 CC(C(=O)OC)C=O 1P00DM2O [0,2,0,0,0,0|2,0,0]=4 2981 B7R0.10 CC(C(=O)OC)CBr 1P002AZJ [0,2,0,0,0,0|2,0,0]=4 2982 B7R0.10 CC(C(=O)OC)CF 1P028N17 [0,2,0,0,0,0|2,0,0]=4 2983 B7R0.10 CC(C(=O)OC)CN 1P00490T [0,2,0,0,0,0|2,0,0]=4 2984 B7R0.10 CC(C(=O)OC)CO 1P01A9LL [0,2,0,0,0,0|2,0,0]=4 2985 B7R0.10 CC(C(=O)OC)CS 1P00D6G2 [0,2,0,0,0,0|2,0,0]=4 2986 B7R0.10 CCC(=C)C(=O)OC 1P00BVKE [0,2,0,0,0,0|1,0,1]=4 2987 B7R0.10 CCC(=O)C(=O)CC 1P00DEQE [0,2,0,0,0,0|1,0,1]=4 2988 B7R0.10 CCC(=O)C(=O)OC 1P003S5Q [0,2,0,0,0,0|0,1,1]=4 2989 B7R0.10 CCC(=O)C(CC)O 1P003UFW [0,2,0,0,0,0|1,0,0]=3 2990 B7R0.10 CCC(=O)N(CC)C 1P01XBR5 [0,2,0,0,0,0|2,0,0]=4 2991 B7R0.10 CCC(C(=N)OC)C 1P028DNL [0,2,0,0,0,0|2,0,0]=4 2992 B7R0.10 CCC(C(=O)CN)C 1P028VDR [0,2,0,0,0,0|1,0,0]=3 2993 B7R0.10 CCC(C(=O)NN)N 1P027VHN [0,2,0,0,0,0|2,0,0]=4 2994 B7R0.10 CCC(C(=O)NO)N 1P00J375 [0,2,0,0,0,0|2,0,0]=4 2995 B7R0.10 CCC(C(=O)OC)Br 1P003763 [0,2,0,0,0,0|1,0,0]=3 2996 B7R0.10 CCC(C(=O)OC)C 1P003S5F [0,2,0,0,0,0|1,0,0]=3 2997 B7R0.10 CCC(C(=O)OC)Cl 1P002TT6 [0,2,0,0,0,0|1,0,0]=3 2998 B7R0.10 CCC(C(=O)OC)N 1P003599 [0,2,0,0,0,0|1,0,0]=3 2999 B7R0.10 CCC(C(=O)OC)O 1P002ZIT [0,2,0,0,0,0|1,0,0]=3 3000 B7R0.10 CCC(C(=O)OC)S 1P0289SO [0,2,0,0,0,0|1,0,0]=3 3001 B7R0.10 CCN(C(=O)CBr)C 1P01DJI3 [0,2,0,0,0,0|2,0,0]=4 3002 B7R0.10 CCN(C(=O)CCl)C 1P00C2B5 [0,2,0,0,0,0|2,0,0]=4 3003 B7R0.10 CCN(C(=O)CN)C 1P01AFQ9 [0,2,0,0,0,0|2,0,0]=4 3004 B7R0.10 CCN(C(=O)NC)C 1P028UTM [0,2,0,0,0,0|2,0,0]=4 3005 B7R0.10 CCN(C(=O)OC)C 1P027UV2 [0,2,0,0,0,0|2,0,0]=4 3006 B7R0.10 CC[C@@H](C(=O)CBr)N 1P0292PL [0,2,0,0,0,0|1,0,0]=3 3007 B7R0.10 CC[C@@H](C(=O)NC)N 1P0290BF [0,2,0,0,0,0|1,0,0]=3 3008 B7R0.10 CC[C@@H](C(=O)OC)Br 1P02848G [0,2,0,0,0,0|1,0,0]=3 3009 B7R0.10 CC[C@@H](C(=O)OC)N 1P0039SD [0,2,0,0,0,0|1,0,0]=3 3010 B7R0.10 CC[C@@H](C(=O)OC)N 1P00AND3 [0,2,0,0,0,0|1,0,0]=3 3011 B7R0.10 CC[C@@H](C(=O)OC)O 1P0036DS [0,2,0,0,0,0|1,0,0]=3 3012 B7R0.10 CC[C@H](C(=O)CBr)N 1P02804I [0,2,0,0,0,0|1,0,0]=3 3013 B7R0.10 CC[C@H](C(=O)NC)N 1P02917U [0,2,0,0,0,0|1,0,0]=3 3014 B7R0.10 CC[C@H](C(=O)OC)Br 1P01DFTB [0,2,0,0,0,0|1,0,0]=3 3015 B7R0.10 CC[C@H](C(=O)OC)N 1P0036WD [0,2,0,0,0,0|1,0,0]=3 3016 B7R0.10 CC[C@H](C(=O)OC)O 1P0036DY [0,2,0,0,0,0|1,0,0]=3 3017 B7R0.10 CN(C(=O)CCl)OC 1P0033Q6 [0,2,0,0,0,0|1,1,0]=4 3018 B7R0.10 CN(C(=O)CF)OC 1P00IEJK [0,2,0,0,0,0|1,1,0]=4 3019 B7R0.10 CN(C(=O)CN)OC 1P01AE6L [0,2,0,0,0,0|1,1,0]=4 3020 B7R0.10 CN(C(=O)CN)OC 1P01AHW7 [0,2,0,0,0,0|1,1,0]=4 3021 B7R0.10 CNC(=O)C(=O)NC 1P0035S7 [0,2,0,0,0,0|1,0,1]=4 3022 B7R0.10 CNC(=O)C(=O)OC 1P00IA4U [0,2,0,0,0,0|0,1,1]=4 3023 B7R0.10 CNC(=O)C(CN)O 1P01BEER [0,2,0,0,0,0|2,0,0]=4 3024 B7R0.10 CNC(=O)C(CO)N 1P01A7H4 [0,2,0,0,0,0|2,0,0]=4 3025 B7R0.10 CNC(=O)C(CO)N 1P027TPQ [0,2,0,0,0,0|2,0,0]=4 3026 B7R0.10 CNC(=O)C(NC)C 1P00EEAJ [0,2,0,0,0,0|1,0,0]=3 3027 B7R0.10 CNC(=O)[C@@H](NC)C 1P00J38P [0,2,0,0,0,0|1,0,0]=3 3028 B7R0.10 CNC(C(=O)OC)C 1P0092WO [0,2,0,0,0,0|1,0,0]=3 3029 B7R0.10 CNC(C(=O)OC)C 1P00DK8K [0,2,0,0,0,0|1,0,0]=3 3030 B7R0.10 CNC(C(SC)C)C 1P028E50 [0,2,0,0,0,0|1,0,1]=4 3031 B7R0.10 CN[C@@H](C(=O)OC)C 1P002CEB [0,2,0,0,0,0|1,0,0]=3 3032 B7R0.10 CN[C@H](C(=O)OC)C 1P002D9O [0,2,0,0,0,0|1,0,0]=3 3033 B7R0.10 CN[C@H](C(=O)OC)C 1P00C8GB [0,2,0,0,0,0|1,0,0]=3 3034 B7R0.10 COC(=N)C(OC)C 1P027UXQ [0,2,0,0,0,0|1,1,0]=4 3035 B7R0.10 COC(=O)C(=C)OC 1P005RYU [0,2,0,0,0,0|0,1,1]=4 3036 B7R0.10 COC(=O)C(=CC)Br 1P002559 [0,2,0,0,0,0|1,0,1]=4 3037 B7R0.10 COC(=O)C(=CC)C 1P003SJI [0,2,0,0,0,0|1,0,1]=4 3038 B7R0.10 COC(=O)C(=O)OC 1P00357V [0,2,0,0,0,0|0,1,1]=4 3039 B7R0.10 COC(=O)C(C=C)N 1P027OVZ [0,2,0,0,0,0|1,0,1]=4 3040 B7R0.10 COC(=O)C(C=C)O 1P003Q9G [0,2,0,0,0,0|1,0,1]=4 3041 B7R0.10 COC(=O)C(C=O)Cl 1P002J2G [0,2,0,0,0,0|2,0,0]=4 3042 B7R0.10 COC(=O)C(CBr)Br 1P003S26 [0,2,0,0,0,0|2,0,0]=4 3043 B7R0.10 COC(=O)C(CCl)Cl 1P00BXT1 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.10 COC(=O)C(CCl)N 1P007DBD [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.10 COC(=O)C(CCl)O 1P00CN6U [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.10 COC(=O)C(CF)N 1P009GSZ [0,2,0,0,0,0|2,0,0]=4 3047 B7R0.10 COC(=O)C(CF)O 1P028ZOR [0,2,0,0,0,0|2,0,0]=4 3048 B7R0.10 COC(=O)C(CN)F 1P01ALX5 [0,2,0,0,0,0|2,0,0]=4 3049 B7R0.10 COC(=O)C(CN)O 1P01A438 [0,2,0,0,0,0|2,0,0]=4 3050 B7R0.10 COC(=O)C(CO)Br 1P00G8R7 [0,2,0,0,0,0|2,0,0]=4 3051 B7R0.10 COC(=O)C(CO)F 1P006LWG [0,2,0,0,0,0|2,0,0]=4 3052 B7R0.10 COC(=O)C(CO)N 1P0035KP [0,2,0,0,0,0|2,0,0]=4 3053 B7R0.10 COC(=O)C(CO)N 1P00IAHU [0,2,0,0,0,0|2,0,0]=4 3054 B7R0.10 COC(=O)C(CO)O 1P01GNO2 [0,2,0,0,0,0|2,0,0]=4 3055 B7R0.10 COC(=O)C(CS)N 1P00E3PB [0,2,0,0,0,0|2,0,0]=4 3056 B7R0.10 COC(=O)C(OC)C 1P00254D [0,2,0,0,0,0|0,1,0]=3 3057 B7R0.10 COC(=O)C(OC)Cl 1P009WZC [0,2,0,0,0,0|0,1,0]=3 3058 B7R0.10 COC(=O)C(OC)O 1P002BDD [0,2,0,0,0,0|0,1,0]=3 3059 B7R0.10 COC(=O)[C@@H](CBr)N 1P028ABJ [0,2,0,0,0,0|2,0,0]=4 3060 B7R0.10 COC(=O)[C@@H](CCl)N 1P003D48 [0,2,0,0,0,0|2,0,0]=4 3061 B7R0.10 COC(=O)[C@@H](CO)Br 1P023OOG [0,2,0,0,0,0|2,0,0]=4 3062 B7R0.10 COC(=O)[C@@H](CO)N 1P00359W [0,2,0,0,0,0|2,0,0]=4 3063 B7R0.10 COC(=O)[C@@H](CO)O 1P0024OK [0,2,0,0,0,0|2,0,0]=4 3064 B7R0.10 COC(=O)[C@@H](CS)N 1P003PPN [0,2,0,0,0,0|2,0,0]=4 3065 B7R0.10 COC(=O)[C@@H](OC)C 1P01IG4T [0,2,0,0,0,0|0,1,0]=3 3066 B7R0.10 COC(=O)[C@H](CBr)N 1P028AUV [0,2,0,0,0,0|2,0,0]=4 3067 B7R0.10 COC(=O)[C@H](CCl)N 1P007UNW [0,2,0,0,0,0|2,0,0]=4 3068 B7R0.10 COC(=O)[C@H](CN)F 1P01BIWZ [0,2,0,0,0,0|2,0,0]=4 3069 B7R0.10 COC(=O)[C@H](CN)O 1P01A3MB [0,2,0,0,0,0|2,0,0]=4 3070 B7R0.10 COC(=O)[C@H](CO)Br 1P01XFPL [0,2,0,0,0,0|2,0,0]=4 3071 B7R0.10 COC(=O)[C@H](CO)O 1P007IRI [0,2,0,0,0,0|2,0,0]=4 3072 B7R0.10 COC(=O)[C@H](CS)N 1P0039K7 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.10 COC(=O)[C@H](CS)N 1P003RPE [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.10 COC(=O)\C(=C/C)\C 1P003OCY [0,2,0,0,0,0|1,0,1]=4 3075 B7R0.10 CON(C(=O)CC)C 1P007GR1 [0,2,0,0,0,0|1,1,0]=4 3076 B7R0.10 CSC(C(=O)OC)Br 1P01AMBH [0,2,0,0,0,0|0,0,0]=2 3077 B7R0.10 CSC(C(=O)OC)C 1P003S5J [0,2,0,0,0,0|0,0,0]=2 3078 B7R0.10 C[C@@H](C(=O)OC)CBr 1P003RZT [0,2,0,0,0,0|2,0,0]=4 3079 B7R0.10 C[C@@H](C(=O)OC)CN 1P028GC7 [0,2,0,0,0,0|2,0,0]=4 3080 B7R0.10 C[C@@H](C(=O)OC)CO 1P0035LR [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.10 C[C@H](C(=O)OC)CBr 1P003RZM [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.10 C[C@H](C(=O)OC)CN 1P01RNEO [0,2,0,0,0,0|2,0,0]=4 3083 B7R0.10 C[C@H](C(=O)OC)CO 1P0035LU [0,2,0,0,0,0|2,0,0]=4 3084 B7R0.10 NC[C@@H](C(=O)OC)N 1P00AOD5 [0,2,0,0,0,0|2,0,0]=4 3085 B7R0.10 NOC(C(=O)OC)C 1P01DIAE [0,2,0,0,0,0|1,1,0]=4 3086 B7R0.10 NO[C@@H](C(=O)OC)C 1P028Q1H [0,2,0,0,0,0|1,1,0]=4 3087 B7R0.10 NO[C@H](C(=O)OC)C 1P028Q1U [0,2,0,0,0,0|1,1,0]=4 3088 B7R0.10 OCC(=O)[C@H](CO)O 1P00DDQ7 [0,2,0,0,0,0|2,0,0]=4 3089 B7R0.10 OCC(C(=O)CC)C 1P01HOP8 [0,2,0,0,0,0|2,0,0]=4 3090 B7R0.10 [C-]#[N+]C(C(=O)OC)C 1P00C94O [0,2,0,0,0,0|1,0,1]=4 3091 B7R0.11 CC(C#N)(CSC)N 1P01BAU0 [0,2,0,0,0,0|1,0,1]=4 3092 B7R0.11 CC(CN)(CSC)O 1P01AKFQ [0,2,0,0,0,0|0,0,2]=4 3093 B7R0.11 CC(CO)(CSC)N 1P028RDX [0,2,0,0,0,0|0,0,2]=4 3094 B7R0.11 CCCS(=O)(=O)NC 1P019T9J [0,2,0,0,0,0|2,0,0]=4 3095 B7R0.11 COCC(C=O)(C)C 1P002SX6 [0,2,0,0,0,0|0,1,1]=4 3096 B7R0.11 CSSC(C=O)(C)C 1P0062PJ [0,2,0,0,0,0|1,0,1]=4 3097 B7R0.11 NCC(CSC)(C)C 1P028LM8 [0,2,0,0,0,0|1,0,1]=4 3098 B7R0.11 NCC(CSC)(F)F 1P027W4V [0,2,0,0,0,0|1,0,1]=4 3099 B7R0.11 OCC(CSC)(C)C 1P01AMHB [0,2,0,0,0,0|0,0,2]=4 3100 B7R0.11 OCC(CSC)(F)F 1P028CM4 [0,2,0,0,0,0|1,0,1]=4 3101 B7R0.12 CCCC(C=O)CC 1P00BGAL [0,2,0,0,0,0|1,0,1]=4 3102 B7R0.12 CCCC(C=O)OC 1P01ANSK [0,2,0,0,0,0|1,0,1]=4 3103 B7R0.12 CCCN(N=O)CC 1P00BDS0 [0,2,0,0,0,0|2,0,0]=4 3104 B7R0.12 CSCC(NC)CC 1P01A4UP [0,2,0,0,0,0|1,0,1]=4 3105 B7R0.12 CSCC(OC)CN 1P028P7L [0,2,0,0,0,0|0,0,2]=4 3106 B7R0.12 CSCC(OC)OC 1P003DP9 [0,2,0,0,0,0|0,0,2]=4 3107 B7R0.12 CSCN(CC)CC 1P01GP42 [0,2,0,0,0,0|2,0,0]=4 3108 B7R0.9 CC(=C)C[Si](C)(C)C 1P0024QB [0,2,0,0,0,0|2,0,0]=4 3109 B7R0.9 CC(=O)CC(C)(C)C 1P003KWI [0,2,0,0,0,0|1,0,0]=3 3110 B7R0.9 CC(=O)CC(Cl)(C)C 1P001DU3 [0,2,0,0,0,0|1,0,0]=3 3111 B7R0.9 CC(=O)CC(F)(F)F 1P002OJE [0,2,0,0,0,0|2,0,0]=4 3112 B7R0.9 CC(=O)CC(N)(C)C 1P003L6K [0,2,0,0,0,0|1,0,0]=3 3113 B7R0.9 CC(=O)CC(O)(C)C 1P000KDW [0,2,0,0,0,0|1,0,0]=3 3114 B7R0.9 CC(=O)CC(S)(C)C 1P002C5Z [0,2,0,0,0,0|1,0,0]=3 3115 B7R0.9 CC(=O)CS(=O)(=O)C 1P003DKB [0,2,0,0,0,0|0,0,1]=3 3116 B7R0.9 CC(=O)CS(=O)(=O)F 1P01DTBY [0,2,0,0,0,0|1,0,1]=4 3117 B7R0.9 CC(=O)C[N+](C)(C)C 1P01APWQ [0,2,0,0,0,0|1,0,0]=3 3118 B7R0.9 CC(=O)NC(C)(C)C 1P003TTT [0,2,0,0,0,0|2,0,0]=4 3119 B7R0.9 CC(=O)N[Si](C)(C)C 1P003SWG [0,2,0,0,0,0|2,0,0]=4 3120 B7R0.9 CC(=O)OC(C)(C)C 1P0036K8 [0,2,0,0,0,0|2,0,0]=4 3121 B7R0.9 CC(=O)OS(=O)(=O)C 1P00DN12 [0,2,0,0,0,0|1,0,1]=4 3122 B7R0.9 CC(=O)O[Si](C)(C)C 1P002UHX [0,2,0,0,0,0|2,0,0]=4 3123 B7R0.9 CC(CS(=O)(=N)C)O 1P028OS0 [0,2,0,0,0,0|2,0,0]=4 3124 B7R0.9 CC(CS(=O)(=O)C)Cl 1P024SR1 [0,2,0,0,0,0|2,0,0]=4 3125 B7R0.9 CC(CS(=O)(=O)C)N 1P01AIJJ [0,2,0,0,0,0|2,0,0]=4 3126 B7R0.9 CC(CS(=O)(=O)C)O 1P002BG7 [0,2,0,0,0,0|2,0,0]=4 3127 B7R0.9 C[C@@H](CS(=O)(=O)C)N 1P0281PD [0,2,0,0,0,0|2,0,0]=4 3128 B7R0.9 C[C@H](CS(=O)(=O)C)N 1P0280D0 [0,2,0,0,0,0|2,0,0]=4 3129 B7R0.9 ClC(=O)CC(Br)(C)C 1P01B380 [0,2,0,0,0,0|2,0,0]=4 3130 B7R0.9 ClC(=O)CC(C)(C)C 1P003IU3 [0,2,0,0,0,0|2,0,0]=4 3131 B7R0.9 NC(=O)CC(C)(C)C 1P00H1ZB [0,2,0,0,0,0|2,0,0]=4 3132 B7R0.9 NC(=O)CC(N)(C)C 1P019SGU [0,2,0,0,0,0|2,0,0]=4 3133 B7R0.9 NC(=O)CC(N)(C)C 1P01A7J8 [0,2,0,0,0,0|2,0,0]=4 3134 B7R0.9 NC(=O)C[N+](C)(C)C 1P001XEU [0,2,0,0,0,0|2,0,0]=4 3135 B7R0.9 OC(=O)CC(Br)(C)C 1P00EPM1 [0,2,0,0,0,0|2,0,0]=4 3136 B7R0.9 OC(=O)CC(C)(C)C 1P003IU4 [0,2,0,0,0,0|2,0,0]=4 3137 B7R0.9 OC(=O)CC(Cl)(C)C 1P027U6R [0,2,0,0,0,0|2,0,0]=4 3138 B7R0.9 OC(=O)CC(F)(C)C 1P01BUPJ [0,2,0,0,0,0|2,0,0]=4 3139 B7R0.9 OC(=O)CC(F)(F)C 1P01AE6R [0,2,0,0,0,0|2,0,0]=4 3140 B7R0.9 OC(=O)CC(N)(C)C 1P0037NO [0,2,0,0,0,0|2,0,0]=4 3141 B7R0.9 OC(=O)CC(N)(C)C 1P003JBN [0,2,0,0,0,0|2,0,0]=4 3142 B7R0.9 OC(=O)CC(N)(C)C 1P01AGEV [0,2,0,0,0,0|2,0,0]=4 3143 B7R0.9 OC(=O)CC(O)(C)C 1P0039UT [0,2,0,0,0,0|2,0,0]=4 3144 B7R0.9 OC(=O)CC(S)(C)C 1P00392I [0,2,0,0,0,0|2,0,0]=4 3145 B7R0.9 OC(=O)CP(=O)(C)C 1P028MVP [0,2,0,0,0,0|2,0,0]=4 3146 B7R0.9 OC(=O)CS(=O)(=O)C 1P002R5P [0,2,0,0,0,0|1,0,1]=4 3147 B7R0.9 OC(=O)C[N+](C)(C)C 1P00IAY4 [0,2,0,0,0,0|2,0,0]=4 3148 B7R0.9 OC(=O)C[Si](C)(C)C 1P002NQR [0,2,0,0,0,0|2,0,0]=4 3149 B7R0.9 [O-]C(=O)CC(O)(C)C 1P003P49 [0,2,0,0,0,0|2,0,0]=4 3150 B7R0.9 [O-]C(=O)C[As+](C)(C)C 1P01E6PJ [0,2,0,0,0,0|2,0,0]=4 3151 B7R0.9 [O-]C(=O)C[N+](C)(C)C 1P00HBD2 [0,2,0,0,0,0|2,0,0]=4 3152 B7R0.9 [O-]C(=O)C[N+](C)(C)C 1P00IAY3 [0,2,0,0,0,0|2,0,0]=4 3153 B7R0.16 BrC(C(=O)Cl)C(C)C 1P00DNAU [0,2,0,0,0,0|2,0,0]=4 3154 B7R0.16 BrC(C(=O)N)C(C)C 1P019PO7 [0,2,0,0,0,0|2,0,0]=4 3155 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,2,0,0,0,0|2,0,0]=4 3156 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,2,0,0,0,0|2,0,0]=4 3157 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,2,0,0,0,0|2,0,0]=4 3158 B7R0.16 CC(C(=O)C(=O)C)Br 1P0034FA [0,2,0,0,0,0|1,0,1]=4 3159 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [0,2,0,0,0,0|1,0,0]=3 3160 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [0,2,0,0,0,0|2,0,0]=4 3161 B7R0.16 CC(C(=O)N)N(C)C 1P0285J8 [0,2,0,0,0,0|2,0,0]=4 3162 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,2,0,0,0,0|2,0,0]=4 3163 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,2,0,0,0,0|2,0,0]=4 3164 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,2,0,0,0,0|2,0,0]=4 3165 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [0,2,0,0,0,0|1,0,0]=3 3166 B7R0.16 CC(C(C(=O)C)S)C 1P005IKG [0,2,0,0,0,0|1,0,0]=3 3167 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,2,0,0,0,0|2,0,0]=4 3168 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,2,0,0,0,0|2,0,0]=4 3169 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,2,0,0,0,0|2,0,0]=4 3170 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,2,0,0,0,0|2,0,0]=4 3171 B7R0.16 CN(C(=O)C(=O)C)C 1P00B7HD [0,2,0,0,0,0|1,0,1]=4 3172 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [0,2,0,0,0,0|2,0,0]=4 3173 B7R0.16 CN(C(C(=C)C)Br)C 1P005CL9 [0,2,0,0,0,0|2,0,0]=4 3174 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [0,2,0,0,0,0|2,0,0]=4 3175 B7R0.16 C[C@@H](C(=O)N)N(C)C 1P02801D [0,2,0,0,0,0|2,0,0]=4 3176 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,2,0,0,0,0|2,0,0]=4 3177 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,2,0,0,0,0|2,0,0]=4 3178 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,2,0,0,0,0|2,0,0]=4 3179 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,2,0,0,0,0|2,0,0]=4 3180 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,2,0,0,0,0|2,0,0]=4 3181 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,2,0,0,0,0|2,0,0]=4 3182 B7R0.16 C[C@H](C(=O)N)N(C)C 1P024HWJ [0,2,0,0,0,0|2,0,0]=4 3183 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,2,0,0,0,0|2,0,0]=4 3184 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,2,0,0,0,0|2,0,0]=4 3185 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,2,0,0,0,0|2,0,0]=4 3186 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 1P00BY9J [0,2,0,0,0,0|2,0,0]=4 3187 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,2,0,0,0,0|2,0,0]=4 3188 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,2,0,0,0,0|2,0,0]=4 3189 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,2,0,0,0,0|2,0,0]=4 3190 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,2,0,0,0,0|2,0,0]=4 3191 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,2,0,0,0,0|2,0,0]=4 3192 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [0,2,0,0,0,0|1,0,0]=3 3193 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,2,0,0,0,0|2,0,0]=4 3194 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,2,0,0,0,0|2,0,0]=4 3195 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,2,0,0,0,0|2,0,0]=4 3196 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [0,2,0,0,0,0|1,0,0]=3 3197 B7R0.16 NC(C(=O)N)C(C)C 1P00IMQN [0,2,0,0,0,0|2,0,0]=4 3198 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,2,0,0,0,0|2,0,0]=4 3199 B7R0.16 N[C@@H](C(=O)N)C(C)C 1P0014U9 [0,2,0,0,0,0|2,0,0]=4 3200 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,2,0,0,0,0|2,0,0]=4 3201 B7R0.16 N[C@H](C(=O)N)C(C)C 1P00I645 [0,2,0,0,0,0|2,0,0]=4 3202 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,2,0,0,0,0|2,0,0]=4 3203 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,2,0,0,0,0|2,0,0]=4 3204 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,2,0,0,0,0|2,0,0]=4 3205 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,2,0,0,0,0|2,0,0]=4 3206 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,2,0,0,0,0|2,0,0]=4 3207 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,2,0,0,0,0|2,0,0]=4 3208 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,2,0,0,0,0|2,0,0]=4 3209 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,2,0,0,0,0|2,0,0]=4 3210 B7R0.13 BrCC(C(=O)C)(F)F 1P01DZ6I [0,2,0,0,0,0|2,0,0]=4 3211 B7R0.13 CC(C(=O)N)(CC)N 1P01A94H [0,2,0,0,0,0|2,0,0]=4 3212 B7R0.13 CC(C(=O)N)(CC)N 1P01ADWL [0,2,0,0,0,0|2,0,0]=4 3213 B7R0.13 CC(C(=O)O)(CC)Br 1P00BY6X [0,2,0,0,0,0|2,0,0]=4 3214 B7R0.13 CC(C(=O)O)(CC)F 1P028RFD [0,2,0,0,0,0|2,0,0]=4 3215 B7R0.13 CC(C(=O)O)(CC)N 1P0072LM [0,2,0,0,0,0|2,0,0]=4 3216 B7R0.13 CC(C(=O)O)(CC)N 1P00FJ8C [0,2,0,0,0,0|2,0,0]=4 3217 B7R0.13 CC(C(=O)O)(CC)O 1P0033ST [0,2,0,0,0,0|2,0,0]=4 3218 B7R0.13 CCC(C(=O)C)(C)C 1P002J2S [0,2,0,0,0,0|1,0,0]=3 3219 B7R0.13 CCC(C(=O)Cl)(C)C 1P003BJY [0,2,0,0,0,0|2,0,0]=4 3220 B7R0.13 CCC(C(=O)N)(C)C 1P0006RV [0,2,0,0,0,0|2,0,0]=4 3221 B7R0.13 CCC(C(=O)O)(C)C 1P003FSB [0,2,0,0,0,0|2,0,0]=4 3222 B7R0.13 CCC(C(=O)O)(F)F 1P002OJF [0,2,0,0,0,0|2,0,0]=4 3223 B7R0.13 CNC(C(=O)N)(C)C 1P01BBOR [0,2,0,0,0,0|2,0,0]=4 3224 B7R0.13 CNC(C(=O)N)(C)C 1P01BCN5 [0,2,0,0,0,0|2,0,0]=4 3225 B7R0.13 CNC(C(=O)O)(C)C 1P0017L1 [0,2,0,0,0,0|2,0,0]=4 3226 B7R0.13 CNC(C(=O)O)(C)C 1P003TM2 [0,2,0,0,0,0|2,0,0]=4 3227 B7R0.13 COC(C(=O)C)(C)C 1P00CS4C [0,2,0,0,0,0|0,1,0]=3 3228 B7R0.13 COC(C(=O)N)(C)C 1P008K10 [0,2,0,0,0,0|1,1,0]=4 3229 B7R0.13 COC(C(=O)O)(C)C 1P00194A [0,2,0,0,0,0|1,1,0]=4 3230 B7R0.13 CSC(C(=O)O)(C)C 1P01B62J [0,2,0,0,0,0|1,0,0]=3 3231 B7R0.13 C[C@@](C(=O)O)(CC)N 1P00E3LH [0,2,0,0,0,0|2,0,0]=4 3232 B7R0.13 C[C@@](C(=O)O)(CC)O 1P01GB7L [0,2,0,0,0,0|2,0,0]=4 3233 B7R0.13 C[C@](C(=O)O)(CC)N 1P00313O [0,2,0,0,0,0|2,0,0]=4 3234 B7R0.13 ClCC(C(=O)C)(C)C 1P01C2Z1 [0,2,0,0,0,0|2,0,0]=4 3235 B7R0.13 N#CC(C(=O)C)(C)C 1P00CL9C [0,2,0,0,0,0|2,0,0]=4 3236 B7R0.13 OCC(C(=O)C)(C)C 1P00AXPU [0,2,0,0,0,0|2,0,0]=4 3237 B7R0.14 CCC(S(=O)(=N)C)C 1P01BS74 [0,2,0,0,0,0|2,0,0]=4 3238 B7R0.15 CCC(C(=O)C)C#N 1P01BF2U [0,2,0,0,0,0|1,0,0]=3 3239 B7R0.15 CCC(C(=O)C)CC 1P00ECA8 [0,2,0,0,0,0|1,0,0]=3 3240 B7R0.15 CCC(C(=O)Cl)CC 1P0033RE [0,2,0,0,0,0|2,0,0]=4 3241 B7R0.15 CCC(C(=O)N)CC 1P007TDC [0,2,0,0,0,0|2,0,0]=4 3242 B7R0.15 CCC(C(=O)N)NC 1P009E93 [0,2,0,0,0,0|2,0,0]=4 3243 B7R0.15 CCC(C(=O)O)C#N 1P00DUKD [0,2,0,0,0,0|2,0,0]=4 3244 B7R0.15 CCC(C(=O)O)C=C 1P0280ZW [0,2,0,0,0,0|2,0,0]=4 3245 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [0,2,0,0,0,0|2,0,0]=4 3246 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [0,2,0,0,0,0|2,0,0]=4 3247 B7R0.15 CCC(C(=O)O)NC 1P019XQL [0,2,0,0,0,0|2,0,0]=4 3248 B7R0.15 CCC(C(=O)O)NN 1P001ROF [0,2,0,0,0,0|2,0,0]=4 3249 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [0,2,0,0,0,0|1,1,0]=4 3250 B7R0.15 CCC(C(=O)O)SC 1P01A281 [0,2,0,0,0,0|1,0,0]=3 3251 B7R0.15 CCC(C(=O)[O-])CC 1P003RV0 [0,2,0,0,0,0|2,0,0]=4 3252 B7R0.15 CCC(C(=O)[O-])CO 1P01C65A [0,2,0,0,0,0|2,0,0]=4 3253 B7R0.15 CCN(C(=O)C)CC 1P003T5C [0,2,0,0,0,0|2,0,0]=4 3254 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [0,2,0,0,0,0|2,0,0]=4 3255 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [0,2,0,0,0,0|2,0,0]=4 3256 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [0,2,0,0,0,0|2,0,0]=4 3257 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [0,2,0,0,0,0|2,0,0]=4 3258 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [0,2,0,0,0,0|2,0,0]=4 3259 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [0,2,0,0,0,0|2,0,0]=4 3260 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [0,2,0,0,0,0|2,0,0]=4 3261 B7R0.15 COC(C(=O)C)OC 1P003SKQ [0,2,0,0,0,0|0,1,0]=3 3262 B7R0.15 COC(C(=O)N)OC 1P005COP [0,2,0,0,0,0|1,1,0]=4 3263 B7R0.15 COC(C(=O)O)C=C 1P0276L0 [0,2,0,0,0,0|1,1,0]=4 3264 B7R0.15 COC(C(=O)O)CN 1P01A4AE [0,2,0,0,0,0|1,1,0]=4 3265 B7R0.15 COC(C(=O)O)CO 1P0287BD [0,2,0,0,0,0|1,1,0]=4 3266 B7R0.15 COC(C(=O)O)OC 1P00ICVO [0,2,0,0,0,0|1,1,0]=4 3267 B7R0.15 CSC(C(=O)O)CCl 1P028MYD [0,2,0,0,0,0|1,0,0]=3 3268 B7R0.15 CSC(C(=O)O)SC 1P028OBG [0,2,0,0,0,0|1,0,0]=3 3269 B7R0.15 CSC(C(N)C)CO 1P01AKKC [0,2,0,0,0,0|1,0,1]=4 3270 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [0,2,0,0,0,0|2,0,0]=4 3271 B7R0.4 BrCCCCC(=C)C 1P028CFP [0,2,0,0,0,0|2,0,0]=4 3272 B7R0.4 BrCCCCC(=O)C 1P0007J6 [0,2,0,0,0,0|1,0,0]=3 3273 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [0,2,0,0,0,0|2,0,0]=4 3274 B7R0.4 BrCCCCC(=O)O 1P002J3W [0,2,0,0,0,0|2,0,0]=4 3275 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [0,2,0,0,0,0|2,0,0]=4 3276 B7R0.4 BrCCOCC(=O)O 1P00HD6T [0,2,0,0,0,0|1,1,0]=4 3277 B7R0.4 C#CCCCC(=O)C 1P01BVPS [0,2,0,0,0,0|1,0,0]=3 3278 B7R0.4 C#CCCCC(=O)Cl 1P01BF0D [0,2,0,0,0,0|2,0,0]=4 3279 B7R0.4 C#CCCCC(=O)O 1P0034QU [0,2,0,0,0,0|2,0,0]=4 3280 B7R0.4 C#CCNCC(=O)O 1P01B5L0 [0,2,0,0,0,0|2,0,0]=4 3281 B7R0.4 C#CCOCC(=O)N 1P028UMV [0,2,0,0,0,0|1,1,0]=4 3282 B7R0.4 C#CCOCC(=O)O 1P01FGBM [0,2,0,0,0,0|1,1,0]=4 3283 B7R0.4 C#CCSCC(=O)O 1P019QIE [0,2,0,0,0,0|1,0,0]=3 3284 B7R0.4 C=CCCCC(=O)O 1P001Q42 [0,2,0,0,0,0|2,0,0]=4 3285 B7R0.4 C=CCNCC(=O)O 1P00C070 [0,2,0,0,0,0|2,0,0]=4 3286 B7R0.4 C=CCOCC(=O)O 1P00OS4H [0,2,0,0,0,0|1,1,0]=4 3287 B7R0.4 C=CCSCC(=O)O 1P002AX8 [0,2,0,0,0,0|1,0,0]=3 3288 B7R0.4 CC#CCCC(=O)O 1P00CIJW [0,2,0,0,0,0|2,0,0]=4 3289 B7R0.4 CC#CCOC(=O)C 1P003P1Q [0,2,0,0,0,0|1,0,0]=3 3290 B7R0.4 CC(=O)CCN=C=S 1P01HRT5 [0,2,0,0,0,0|1,0,1]=4 3291 B7R0.4 CC(=O)NCCC#C 1P01C3FB [0,2,0,0,0,0|1,0,1]=4 3292 B7R0.4 CC(=O)NCCC#N 1P007VIH [0,2,0,0,0,0|1,0,1]=4 3293 B7R0.4 CC(=O)NCCCBr 1P019XXZ [0,2,0,0,0,0|1,0,0]=3 3294 B7R0.4 CC(=O)NCCCCl 1P001DGW [0,2,0,0,0,0|1,0,0]=3 3295 B7R0.4 CC(=O)NCCCN 1P00CJ9K [0,2,0,0,0,0|1,0,0]=3 3296 B7R0.4 CC(=O)NCCCN 1P00DL1J [0,2,0,0,0,0|1,0,0]=3 3297 B7R0.4 CC(=O)NCCCO 1P009RY1 [0,2,0,0,0,0|1,0,0]=3 3298 B7R0.4 CC(=O)OCCC=C 1P001Q0I [0,2,0,0,0,0|1,0,1]=4 3299 B7R0.4 CC(=O)OCCCCl 1P003JS4 [0,2,0,0,0,0|1,0,0]=3 3300 B7R0.4 CC(=O)OCCCI 1P00EKA4 [0,2,0,0,0,0|1,0,0]=3 3301 B7R0.4 CC(=O)SCCC#N 1P000IRD [0,2,0,0,0,0|1,0,1]=4 3302 B7R0.4 CC(=O)SCCCCl 1P000UI6 [0,2,0,0,0,0|1,0,0]=3 3303 B7R0.4 CC(=O)SCCCO 1P01DU4A [0,2,0,0,0,0|1,0,0]=3 3304 B7R0.4 CCC#CCC(=O)O 1P00269H [0,2,0,0,0,0|2,0,0]=4 3305 B7R0.4 CCCC#CC(=O)O 1P003HTY [0,2,0,0,0,0|2,0,0]=4 3306 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [0,2,0,0,0,0|1,0,0]=3 3307 B7R0.4 CCCCCC(=O)C 1P0033SO [0,2,0,0,0,0|1,0,0]=3 3308 B7R0.4 CCCCCC(=O)Cl 1P003RDM [0,2,0,0,0,0|2,0,0]=4 3309 B7R0.4 CCCCCC(=O)N 1P003RDF [0,2,0,0,0,0|2,0,0]=4 3310 B7R0.4 CCCCCC(=O)O 1P0035GM [0,2,0,0,0,0|2,0,0]=4 3311 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [0,2,0,0,0,0|2,0,0]=4 3312 B7R0.4 CCCCNC(=O)C 1P007VII [0,2,0,0,0,0|1,0,0]=3 3313 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [0,2,0,0,0,0|2,0,0]=4 3314 B7R0.4 CCCCNC(=O)N 1P0035TZ [0,2,0,0,0,0|2,0,0]=4 3315 B7R0.4 CCCCOC(=O)C 1P000KEE [0,2,0,0,0,0|1,0,0]=3 3316 B7R0.4 CCCCOC(=O)N 1P003TBD [0,2,0,0,0,0|2,0,0]=4 3317 B7R0.4 CCCCSC(=O)C 1P003UQS [0,2,0,0,0,0|1,0,0]=3 3318 B7R0.4 CCCCSC(=O)Cl 1P001A84 [0,2,0,0,0,0|2,0,0]=4 3319 B7R0.4 CCCNCC(=O)N 1P01AM1O [0,2,0,0,0,0|2,0,0]=4 3320 B7R0.4 CCCNCC(=O)O 1P019WR9 [0,2,0,0,0,0|2,0,0]=4 3321 B7R0.4 CCCOCC(=O)O 1P00DDPU [0,2,0,0,0,0|1,1,0]=4 3322 B7R0.4 CCCSCC(=O)C 1P01CANS [0,2,0,0,0,0|0,0,0]=2 3323 B7R0.4 CCCSCC(=O)O 1P002AXA [0,2,0,0,0,0|1,0,0]=3 3324 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [0,2,0,0,0,0|2,0,0]=4 3325 B7R0.4 CCNCCC(=O)N 1P003IOR [0,2,0,0,0,0|2,0,0]=4 3326 B7R0.4 CCNCCC(=O)O 1P019WSK [0,2,0,0,0,0|2,0,0]=4 3327 B7R0.4 CCOCC=C(C)C 1P007Q3A [0,2,0,0,0,0|1,1,0]=4 3328 B7R0.4 CCOCCC(=O)O 1P003JUP [0,2,0,0,0,0|1,1,0]=4 3329 B7R0.4 CCSCCC(=O)Cl 1P0286NR [0,2,0,0,0,0|1,0,0]=3 3330 B7R0.4 CCSCCC(=O)O 1P00FDIY [0,2,0,0,0,0|1,0,0]=3 3331 B7R0.4 CCSCCC(N)C 1P019TG8 [0,2,0,0,0,0|1,0,1]=4 3332 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [0,2,0,0,0,0|2,0,0]=4 3333 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [0,2,0,0,0,0|2,0,0]=4 3334 B7R0.4 CNCC#CC(=O)O 1P01DRX9 [0,2,0,0,0,0|2,0,0]=4 3335 B7R0.4 CNCCCC(=O)O 1P0034AB [0,2,0,0,0,0|2,0,0]=4 3336 B7R0.4 CNCCCC(=O)O 1P007DUH [0,2,0,0,0,0|2,0,0]=4 3337 B7R0.4 CNCCNC(=O)C 1P01A2SE [0,2,0,0,0,0|1,0,0]=3 3338 B7R0.4 CNCCNC(=O)C 1P01AF4E [0,2,0,0,0,0|1,0,0]=3 3339 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [0,2,0,0,0,0|2,0,0]=4 3340 B7R0.4 COCC#CC(=O)O 1P006X1E [0,2,0,0,0,0|1,1,0]=4 3341 B7R0.4 COCC=CC(=O)O 1P01DNM5 [0,2,0,0,0,0|1,1,0]=4 3342 B7R0.4 COCCCC(=O)C 1P00B6HE [0,2,0,0,0,0|0,1,0]=3 3343 B7R0.4 COCCCC(=O)N 1P027LNZ [0,2,0,0,0,0|1,1,0]=4 3344 B7R0.4 COCCCC(=O)O 1P002VN5 [0,2,0,0,0,0|1,1,0]=4 3345 B7R0.4 COCCNC(=O)N 1P00C2MD [0,2,0,0,0,0|1,1,0]=4 3346 B7R0.4 COCCOC(=O)Cl 1P003I0T [0,2,0,0,0,0|1,1,0]=4 3347 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [0,2,0,0,0,0|1,1,0]=4 3348 B7R0.4 CSCC=CC(=O)O 1P028A6U [0,2,0,0,0,0|1,0,0]=3 3349 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [0,2,0,0,0,0|1,0,0]=3 3350 B7R0.4 CSCCCC(=O)N 1P028VPN [0,2,0,0,0,0|1,0,0]=3 3351 B7R0.4 CSCCCC(=O)O 1P00MDZI [0,2,0,0,0,0|1,0,0]=3 3352 B7R0.4 CSCCNC(=O)N 1P005LMJ [0,2,0,0,0,0|1,0,0]=3 3353 B7R0.4 CSCCNC(=S)N 1P01A4KR [0,2,0,0,0,0|1,1,0]=4 3354 B7R0.4 CSSCCC(=O)O 1P0018IF [0,2,0,0,0,0|1,0,0]=3 3355 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,2,0,0,0,0|1,0,1]=4 3356 B7R0.4 C\C=C\COC(=O)C 1P005DY1 [0,2,0,0,0,0|1,0,0]=3 3357 B7R0.4 ClCCCCC(=O)C 1P0007J5 [0,2,0,0,0,0|1,0,0]=3 3358 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [0,2,0,0,0,0|2,0,0]=4 3359 B7R0.4 ClCCCCC(=O)N 1P019Y9G [0,2,0,0,0,0|2,0,0]=4 3360 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [0,2,0,0,0,0|2,0,0]=4 3361 B7R0.4 ClCCCOC(=O)Cl 1P0037L1 [0,2,0,0,0,0|2,0,0]=4 3362 B7R0.4 ClCCOCC(=O)Cl 1P00C792 [0,2,0,0,0,0|1,1,0]=4 3363 B7R0.4 ClCCOCC(=O)N 1P00C72Z [0,2,0,0,0,0|1,1,0]=4 3364 B7R0.4 ClCCOCC(=O)O 1P001LKW [0,2,0,0,0,0|1,1,0]=4 3365 B7R0.4 ClCCSCC(=O)O 1P01I29B [0,2,0,0,0,0|1,0,0]=3 3366 B7R0.4 ClCCSCC(C)C 1P01A2YZ [0,2,0,0,0,0|1,0,1]=4 3367 B7R0.4 FCCCCC(=O)[O-] 1P02875F [0,2,0,0,0,0|2,0,0]=4 3368 B7R0.4 FCCCOC(=O)Cl 1P01C2QS [0,2,0,0,0,0|2,0,0]=4 3369 B7R0.4 FCCOCC(=O)O 1P028UIA [0,2,0,0,0,0|1,1,0]=4 3370 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [0,2,0,0,0,0|0,0,0]=2 3371 B7R0.4 ICCCCC(=O)O 1P027L56 [0,2,0,0,0,0|2,0,0]=4 3372 B7R0.4 N#CCCCC(=O)O 1P0076GP [0,2,0,0,0,0|2,0,0]=4 3373 B7R0.4 N#CCCCS(=O)C 1P01ANVJ [0,2,0,0,0,0|2,0,0]=4 3374 B7R0.4 N#CCSCC(=O)O 1P00DEFL [0,2,0,0,0,0|1,0,0]=3 3375 B7R0.4 N#CCSCC(=O)[O-] 1P00DEC9 [0,2,0,0,0,0|1,0,0]=3 3376 B7R0.4 NC(=O)NCCCO 1P01AJ40 [0,2,0,0,0,0|2,0,0]=4 3377 B7R0.4 NCCCCC(=O)N 1P01A4SH [0,2,0,0,0,0|2,0,0]=4 3378 B7R0.4 NCCCCC(=O)O 1P00390H [0,2,0,0,0,0|2,0,0]=4 3379 B7R0.4 NCCCCC(=O)O 1P003MVH [0,2,0,0,0,0|2,0,0]=4 3380 B7R0.4 NCCCCC(=O)O 1P00HZV1 [0,2,0,0,0,0|2,0,0]=4 3381 B7R0.4 NCCCCC(=O)O 1P01FNTV [0,2,0,0,0,0|2,0,0]=4 3382 B7R0.4 NCCCNC(=O)N 1P01A01C [0,2,0,0,0,0|2,0,0]=4 3383 B7R0.4 NCCCNC(=O)N 1P028XY4 [0,2,0,0,0,0|2,0,0]=4 3384 B7R0.4 NCCCOC(=O)N 1P028PLU [0,2,0,0,0,0|2,0,0]=4 3385 B7R0.4 NCCNCC(=O)O 1P003SPC [0,2,0,0,0,0|2,0,0]=4 3386 B7R0.4 NCCNCC(=O)O 1P01DWQH [0,2,0,0,0,0|2,0,0]=4 3387 B7R0.4 NCCOCC(=C)C 1P01A0MM [0,2,0,0,0,0|1,1,0]=4 3388 B7R0.4 NCCOCC(=O)N 1P01A0II [0,2,0,0,0,0|1,1,0]=4 3389 B7R0.4 NCCOCC(=O)O 1P01A76U [0,2,0,0,0,0|1,1,0]=4 3390 B7R0.4 NCCSCC(=O)O 1P00VUW5 [0,2,0,0,0,0|1,0,0]=3 3391 B7R0.4 NCCSCC(C)C 1P01A35F [0,2,0,0,0,0|1,0,1]=4 3392 B7R0.4 NOCCCC(=O)O 1P0032I9 [0,2,0,0,0,0|2,0,0]=4 3393 B7R0.4 O=C(N)CCNCC 1P01KEQK [0,2,0,0,0,0|2,0,0]=4 3394 B7R0.4 O=CCCCC(=C)C 1P024PL7 [0,2,0,0,0,0|2,0,0]=4 3395 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [0,2,0,0,0,0|2,0,0]=4 3396 B7R0.4 OC(=O)CC=CCS 1P019UIY [0,2,0,0,0,0|2,0,0]=4 3397 B7R0.4 OCCCCC(=O)C 1P00BGAI [0,2,0,0,0,0|1,0,0]=3 3398 B7R0.4 OCCCCC(=O)N 1P002ZKN [0,2,0,0,0,0|2,0,0]=4 3399 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [0,2,0,0,0,0|2,0,0]=4 3400 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [0,2,0,0,0,0|2,0,0]=4 3401 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [0,2,0,0,0,0|2,0,0]=4 3402 B7R0.4 OCCOCC(=O)N 1P000KEF [0,2,0,0,0,0|1,1,0]=4 3403 B7R0.4 OCCOCC(=O)O 1P0080QG [0,2,0,0,0,0|1,1,0]=4 3404 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [0,2,0,0,0,0|1,1,0]=4 3405 B7R0.4 SCCCCC(=O)O 1P002ZTK [0,2,0,0,0,0|2,0,0]=4 3406 B7R0.4 [N-]=[N+]=NCCC(=O)C 1P01AUWU [0,2,0,0,0,0|2,0,0]=4 3407 B7R0.6 CC(=C)CCC(=O)C 1P003NCD [0,2,0,0,0,0|1,0,0]=3 3408 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [0,2,0,0,0,0|2,0,0]=4 3409 B7R0.6 CC(=NNC(=O)C)C 1P00C6UV [0,2,0,0,0,0|2,0,0]=4 3410 B7R0.6 CC(=NOC(=O)C)C 1P01XCOR [0,2,0,0,0,0|2,0,0]=4 3411 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [0,2,0,0,0,0|1,0,0]=3 3412 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [0,2,0,0,0,0|1,0,1]=4 3413 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,2,0,0,0,0|0,1,0]=3 3414 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [0,2,0,0,0,0|1,0,0]=3 3415 B7R0.6 CC(=O)NCC(=O)N 1P002SQ3 [0,2,0,0,0,0|2,0,0]=4 3416 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [0,2,0,0,0,0|2,0,0]=4 3417 B7R0.6 CC(=O)NNC(=O)C 1P003PRJ [0,2,0,0,0,0|2,0,0]=4 3418 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [0,2,0,0,0,0|0,1,0]=3 3419 B7R0.6 CC(=O)OCC(=O)Cl 1P0018ZD [0,2,0,0,0,0|1,1,0]=4 3420 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [0,2,0,0,0,0|1,1,0]=4 3421 B7R0.6 CC(=O)OCC(=S)N 1P019NXX [0,2,0,0,0,0|2,0,0]=4 3422 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [0,2,0,0,0,0|1,0,0]=3 3423 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [0,2,0,0,0,0|1,0,1]=4 3424 B7R0.6 CC(CCC(=C)C)Br 1P01DWFQ [0,2,0,0,0,0|2,0,0]=4 3425 B7R0.6 CC(CCC(=C)C)N 1P01DVQ0 [0,2,0,0,0,0|2,0,0]=4 3426 B7R0.6 CC(CCC(=C)C)O 1P006YC2 [0,2,0,0,0,0|2,0,0]=4 3427 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,2,0,0,0,0|1,0,0]=3 3428 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,2,0,0,0,0|1,0,0]=3 3429 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,2,0,0,0,0|2,0,0]=4 3430 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,2,0,0,0,0|2,0,0]=4 3431 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,2,0,0,0,0|2,0,0]=4 3432 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,2,0,0,0,0|2,0,0]=4 3433 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,2,0,0,0,0|2,0,0]=4 3434 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,2,0,0,0,0|2,0,0]=4 3435 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,2,0,0,0,0|2,0,0]=4 3436 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,2,0,0,0,0|2,0,0]=4 3437 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,2,0,0,0,0|2,0,0]=4 3438 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,2,0,0,0,0|2,0,0]=4 3439 B7R0.6 CC(CCS(=O)C)N 1P019S9Q [0,2,0,0,0,0|2,0,0]=4 3440 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,2,0,0,0,0|1,0,0]=3 3441 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,2,0,0,0,0|2,0,0]=4 3442 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,2,0,0,0,0|1,0,0]=3 3443 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,2,0,0,0,0|2,0,0]=4 3444 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,2,0,0,0,0|2,0,0]=4 3445 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,2,0,0,0,0|2,0,0]=4 3446 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,2,0,0,0,0|2,0,0]=4 3447 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [0,2,0,0,0,0|2,0,0]=4 3448 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,2,0,0,0,0|1,1,0]=4 3449 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,2,0,0,0,0|1,1,0]=4 3450 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,2,0,0,0,0|1,0,0]=3 3451 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [0,2,0,0,0,0|1,0,0]=3 3452 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [0,2,0,0,0,0|1,0,0]=3 3453 B7R0.6 CN(CCC(=O)Cl)C 1P00GYU2 [0,2,0,0,0,0|2,0,0]=4 3454 B7R0.6 CN(CCC(=O)N)C 1P002DMK [0,2,0,0,0,0|2,0,0]=4 3455 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,2,0,0,0,0|2,0,0]=4 3456 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,2,0,0,0,0|2,0,0]=4 3457 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [0,2,0,0,0,0|1,0,1]=4 3458 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [0,2,0,0,0,0|1,0,1]=4 3459 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,2,0,0,0,0|2,0,0]=4 3460 B7R0.6 C[C@@H](CSC(F)F)N 1P028DBO [0,2,0,0,0,0|1,0,1]=4 3461 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,2,0,0,0,0|2,0,0]=4 3462 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,2,0,0,0,0|2,0,0]=4 3463 B7R0.6 C[C@H](CSC(F)F)N 1P028AUC [0,2,0,0,0,0|1,0,1]=4 3464 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,2,0,0,0,0|1,0,1]=4 3465 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,2,0,0,0,0|1,0,1]=4 3466 B7R0.6 C[S+](CCC(=O)[O-])C 1P003Q49 [0,2,0,0,0,0|1,0,1]=4 3467 B7R0.6 ClC(=C)CSC(=O)C 1P00I57X [0,2,0,0,0,0|1,0,1]=4 3468 B7R0.6 ClC(CCC(=O)C)Cl 1P0292ZI [0,2,0,0,0,0|1,0,0]=3 3469 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [0,2,0,0,0,0|2,0,0]=4 3470 B7R0.6 FC(CCC(=O)C)F 1P01C0W2 [0,2,0,0,0,0|1,0,0]=3 3471 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [0,2,0,0,0,0|2,0,0]=4 3472 B7R0.6 FC(COC(=O)C)F 1P001O00 [0,2,0,0,0,0|2,0,0]=4 3473 B7R0.6 FC(OCC(=O)O)F 1P01BECR [0,2,0,0,0,0|1,1,0]=4 3474 B7R0.6 FC(SCC(=O)O)F 1P01DXRY [0,2,0,0,0,0|1,0,0]=3 3475 B7R0.6 OB(CNC(=O)C)O 1P01A7DI [0,2,0,0,0,0|2,0,0]=4 3476 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,2,0,0,0,0|2,0,0]=4 3477 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [0,2,0,0,0,0|2,0,0]=4 3478 B7R0.6 OC(=O)CSC(=N)N 1P005IKU [0,2,0,0,0,0|1,0,1]=4 3479 B7R0.6 OC(=O)CSC(=N)N 1P019G9E [0,2,0,0,0,0|1,0,1]=4 3480 B7R0.6 [O-]C(=O)CCC(=O)C 1P002C2S [0,2,0,0,0,0|1,0,1]=4 3481 B7R0.6 [O-]C(=O)CCC(=O)C 1P003P4T [0,2,0,0,0,0|1,0,1]=4 3482 B7R0.6 [O-]C(=O)CCC(=O)C 1P00IMYY [0,2,0,0,0,0|1,0,1]=4 3483 B7R0.6 [O-][N+](=O)CCC(=O)C 1P00ERGU [0,2,0,0,0,0|2,0,0]=4 3484 B7R0.8 BrCCCS(=O)(=O)C 1P00GUSQ [0,2,0,0,0,0|2,0,0]=4 3485 B7R0.8 CCCNS(=O)(=N)C 1P028JL8 [0,2,0,0,0,0|2,0,0]=4 3486 B7R0.8 CCCNS(=O)(=O)C 1P005IE8 [0,2,0,0,0,0|2,0,0]=4 3487 B7R0.8 CCCOP(=O)(O)C 1P00DB43 [0,2,0,0,0,0|2,0,0]=4 3488 B7R0.8 CCCOS(=O)(=O)C 1P002FKB [0,2,0,0,0,0|2,0,0]=4 3489 B7R0.8 CNCCS(=O)(=O)C 1P0028KG [0,2,0,0,0,0|2,0,0]=4 3490 B7R0.8 CNCCS(=O)(=O)C 1P01JMFK [0,2,0,0,0,0|2,0,0]=4 3491 B7R0.8 COCCS(=O)(=N)C 1P01FL3X [0,2,0,0,0,0|1,1,0]=4 3492 B7R0.8 CSCCC(N)(C)C 1P01XDAZ [0,2,0,0,0,0|1,0,1]=4 3493 B7R0.8 CSCCS(=O)(=O)Cl 1P028L6B [0,2,0,0,0,0|2,0,0]=4 3494 B7R0.8 ClCCCS(=O)(=O)C 1P00DKMN [0,2,0,0,0,0|2,0,0]=4 3495 B7R0.8 ClCSC[Si](C)(C)C 1P00HB6M [0,2,0,0,0,0|1,1,0]=4 3496 B7R0.8 ICCCS(=O)(=O)C 1P019TYU [0,2,0,0,0,0|2,0,0]=4 3497 B7R0.8 NCCCP(=O)(C)C 1P028NO0 [0,2,0,0,0,0|2,0,0]=4 3498 B7R0.8 NCCCP(=O)(C)C 1P028PJR [0,2,0,0,0,0|2,0,0]=4 3499 B7R0.8 NCCCS(=O)(=O)C 1P001Q75 [0,2,0,0,0,0|2,0,0]=4 3500 B7R0.8 OCCCS(=O)(=N)C 1P028M69 [0,2,0,0,0,0|2,0,0]=4 3501 B7R0.8 OCCCS(=O)(=O)C 1P002AUC [0,2,0,0,0,0|2,0,0]=4 3502 B7R0.8 SCCCS(=O)(=O)C 1P01SM8U [0,2,0,0,0,0|2,0,0]=4 3503 B5R1.2 BrC1=CCC1 1P028I74 [1,0,0,1,0,0|1,0,1]=4 3504 B5R1.2 BrC1CCC1 1P003540 [1,0,0,1,0,0|1,0,1]=4 3505 B5R1.2 C1CNC1=O 1P0033LA [1,0,0,1,0,0|1,0,0]=3 3506 B5R1.2 C1COC1=O 1P0037NQ [1,0,0,1,0,0|0,1,0]=3 3507 B5R1.2 C=C1CCC1 1P003SKK [1,0,0,1,0,0|1,0,0]=3 3508 B5R1.2 C=C1CNC1 1P01B63I [1,0,0,1,0,0|2,0,0]=4 3509 B5R1.2 C=C1COC1 1P01JVBI [1,0,0,1,0,0|1,1,0]=4 3510 B5R1.2 CC1CCN1 1P000GWL [1,0,0,1,0,0|1,0,1]=4 3511 B5R1.2 C[C@@H]1CCN1 1P01KAC0 [1,0,0,1,0,0|1,0,1]=4 3512 B5R1.2 C[C@H]1CCN1 1P01K3QZ [1,0,0,1,0,0|1,0,1]=4 3513 B5R1.2 ClC1CCC1 1P00HCSZ [1,0,0,1,0,0|1,0,1]=4 3514 B5R1.2 IC1CCC1 1P0079Q1 [1,0,0,1,0,0|1,0,1]=4 3515 B5R1.2 NC1CCC1 1P002R5Z [1,0,0,1,0,0|1,0,1]=4 3516 B5R1.2 NC1CCC1 1P003PKK [1,0,0,1,0,0|1,0,1]=4 3517 B5R1.2 NC1CSC1 1P000YWC [1,0,0,1,0,0|1,0,1]=4 3518 B5R1.2 NN1CCC1 1P01C0XA [1,0,0,1,0,0|2,0,0]=4 3519 B5R1.2 O=C1CCC1 1P000INX [1,0,0,1,0,0|0,0,0]=2 3520 B5R1.2 O=C1CNC1 1P0021IQ [1,0,0,1,0,0|1,0,0]=3 3521 B5R1.2 O=C1COC1 1P0036MN [1,0,0,1,0,0|0,1,0]=3 3522 B5R1.2 O=C1CSC1 1P003V8S [1,0,0,1,0,0|0,0,0]=2 3523 B5R1.2 O=S1CCC1 1P000ZTK [1,0,0,1,0,0|1,0,0]=3 3524 B5R1.2 OC1CCC1 1P002Y3Q [1,0,0,1,0,0|0,0,2]=4 3525 B5R1.2 OC1CSC1 1P007IKA [1,0,0,1,0,0|0,0,2]=4 3526 B5R1.2 SC1CCC1 1P00FNJK [1,0,0,1,0,0|0,1,1]=4 3527 B5R1.2 SC1CSC1 1P0291I0 [1,0,0,1,0,0|0,1,1]=4 3528 B5R1.3 CCC1CO1 1P0083BM [1,0,0,1,0,0|0,0,2]=4 3529 B5R1.3 CC[C@@H]1CN1 1P01GOIJ [1,0,0,1,0,0|1,0,1]=4 3530 B5R1.3 CC[C@@H]1CO1 1P0032UL [1,0,0,1,0,0|0,0,2]=4 3531 B5R1.3 CC[C@H]1CN1 1P01R331 [1,0,0,1,0,0|1,0,1]=4 3532 B5R1.3 CC[C@H]1CO1 1P003150 [1,0,0,1,0,0|0,0,2]=4 3533 B5R1.3 SCC1CC1 1P00DMJQ [1,0,0,1,0,0|1,0,1]=4 3534 B5R1.4 CC1CC1Br 1P019STV [1,0,0,1,0,0|1,0,1]=4 3535 B5R1.4 CC1CC1I 1P028A9B [1,0,0,1,0,0|1,0,1]=4 3536 B5R1.4 CC1CC1N 1P00ICCM [1,0,0,1,0,0|1,0,1]=4 3537 B5R1.4 CC1CC1O 1P01E0DQ [1,0,0,1,0,0|0,0,2]=4 3538 B5R1.4 C[C@@H]1C[C@@H]1N 1P024TSQ [1,0,0,1,0,0|1,0,1]=4 3539 B5R1.4 C[C@@H]1C[C@H]1N 1P00IKE0 [1,0,0,1,0,0|1,0,1]=4 3540 B5R1.4 C[C@@H]1C[C@H]1O 1P028IRA [1,0,0,1,0,0|0,0,2]=4 3541 B5R1.4 C[C@@H]1O[C@@H]1C 1P0021OE [1,0,0,1,0,0|0,0,2]=4 3542 B5R1.4 C[C@@H]1O[C@H]1C 1P003669 [1,0,0,1,0,0|0,0,2]=4 3543 B5R1.5 CC1(Br)CC1 1P00IL5R [1,0,0,1,0,0|1,0,1]=4 3544 B5R1.5 CC1(C)SC1 1P003RJT [1,0,0,1,0,0|1,0,1]=4 3545 B5R1.5 CC1(N)CC1 1P00339U [1,0,0,1,0,0|1,0,1]=4 3546 B5R1.5 CC1(O)CC1 1P002Z3W [1,0,0,1,0,0|0,0,2]=4 3547 B5R1.1 C1CC=CC1 1P003PN5 [1,0,0,1,0,0|1,0,1]=4 3548 B5R1.1 C1CCCN1 1P002R3M [1,0,0,1,0,0|1,0,1]=4 3549 B5R1.1 C1CCCN1 1P00IN0G [1,0,0,1,0,0|1,0,1]=4 3550 B5R1.1 C1CCCN1 1P00IN0H [1,0,0,1,0,0|1,0,1]=4 3551 B5R1.1 C1CCCO1 1P0005PN [1,0,0,1,0,0|0,1,1]=4 3552 B5R1.1 C1CCCO1 1P0032EK [1,0,0,1,0,0|0,1,1]=4 3553 B5R1.1 C1CCCO1 1P00364V [1,0,0,1,0,0|0,1,1]=4 3554 B5R1.1 C1CCCO1 1P003V3W [1,0,0,1,0,0|0,1,1]=4 3555 B5R1.1 C1CCCO1 1P003V3X [1,0,0,1,0,0|0,1,1]=4 3556 B5R1.1 C1CCCO1 1P00AOW1 [1,0,0,1,0,0|0,1,1]=4 3557 B5R1.1 C1CCCO1 1P00I0J7 [1,0,0,1,0,0|0,1,1]=4 3558 B5R1.1 C1CCCP1 1P007DMB [1,0,0,1,0,0|1,0,1]=4 3559 B5R1.1 C1CCCS1 1P007EKR [1,0,0,1,0,0|0,0,1]=3 3560 B5R1.1 C1NCCN1 1P00DE8L [1,0,0,1,0,0|2,0,0]=4 3561 B5R1.1 C1NCCO1 1P00DJX9 [1,0,0,1,0,0|1,1,0]=4 3562 B5R1.1 C1NCCS1 1P001K1F [1,0,0,1,0,0|1,0,0]=3 3563 B5R1.1 C1NCCS1 1P00365E [1,0,0,1,0,0|1,0,0]=3 3564 B5R1.1 C1OCCS1 1P002KOW [1,0,0,1,0,0|1,0,0]=3 3565 B5R1.1 N1CC=CC1 1P00348W [1,0,0,1,0,0|1,0,1]=4 3566 B5R1.1 N1CC=CC1 1P003GF8 [1,0,0,1,0,0|1,0,1]=4 3567 B5R1.1 S1CC=CC1 1P00B09R [1,0,0,1,0,0|0,0,1]=3 3568 B7R1.1 BrCC1=CCCC1 1P00FM0P [0,1,0,1,0,0|2,0,0]=4 3569 B7R1.1 Br\C=C\1/COCC1 1P028F30 [0,1,0,1,0,0|1,1,0]=4 3570 B7R1.1 C1CON=C1C=O 1P028L7B [0,1,0,1,0,0|1,1,0]=4 3571 B7R1.1 C1SCC=C1C=O 1P000A32 [0,1,0,1,0,0|0,0,1]=3 3572 B7R1.1 CCC1=CCCC1 1P003ER5 [0,1,0,1,0,0|2,0,0]=4 3573 B7R1.1 CNC1=NCCC1 1P01ADJW [0,1,0,1,0,0|2,0,0]=4 3574 B7R1.1 CNC1CSCC1 1P019NX3 [0,1,0,1,0,0|1,0,1]=4 3575 B7R1.1 COC1=CCCC1 1P0094KJ [0,1,0,1,0,0|2,0,0]=4 3576 B7R1.1 COC1=NCCC1 1P00DCJM [0,1,0,1,0,0|2,0,0]=4 3577 B7R1.1 N#CC1CSCC1 1P01BFAQ [0,1,0,1,0,0|1,0,1]=4 3578 B7R1.1 NCC1=CCCC1 1P01ACZ1 [0,1,0,1,0,0|2,0,0]=4 3579 B7R1.1 NCC1CSCC1 1P01BGMT [0,1,0,1,0,0|1,0,1]=4 3580 B7R1.1 NNC1CSCC1 1P01BBL9 [0,1,0,1,0,0|1,0,1]=4 3581 B7R1.1 O=CC1=CCCC1 1P00EGML [0,1,0,1,0,0|1,0,1]=4 3582 B7R1.1 O=CC1CCCC1 1P00354L [0,1,0,1,0,0|1,0,1]=4 3583 B7R1.1 O=CC1CCCC1 1P0035E6 [0,1,0,1,0,0|1,0,1]=4 3584 B7R1.1 O=CC1COCC1 1P00G5BD [0,1,0,1,0,0|0,1,1]=4 3585 B7R1.1 O=CC1CSCC1 1P01BG6V [0,1,0,1,0,0|0,0,1]=3 3586 B7R1.1 O=CN1CCCC1 1P00BXTF [0,1,0,1,0,0|2,0,0]=4 3587 B7R1.1 O=NN1CCCC1 1P003F17 [0,1,0,1,0,0|2,0,0]=4 3588 B7R1.1 OCC1=CCCC1 1P00842I [0,1,0,1,0,0|2,0,0]=4 3589 B7R1.1 OCC1CSCC1 1P01A0OB [0,1,0,1,0,0|0,0,2]=4 3590 B7R1.1 ON=C1CCCC1 1P000ITF [0,1,0,1,0,0|1,0,1]=4 3591 B7R1.1 SCC1=CCCC1 1P0283Z5 [0,1,0,1,0,0|2,0,0]=4 3592 B7R1.2 BrC1=CC(=O)CC1 1P01DIGH [0,1,0,1,0,0|1,0,1]=4 3593 B7R1.2 C=C1CCC(=O)O1 1P0001BH [0,1,0,1,0,0|2,0,0]=4 3594 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [0,1,0,1,0,0|1,0,1]=4 3595 B7R1.2 CC1=CC(=O)OC1 1P003M8M [0,1,0,1,0,0|1,0,1]=4 3596 B7R1.2 CC1=CCC(=O)O1 1P001512 [0,1,0,1,0,0|2,0,0]=4 3597 B7R1.2 CC1=NN=C(C1)C 1P019FB2 [0,1,0,1,0,0|2,0,0]=4 3598 B7R1.2 CC1CC(=NC1)N 1P0286PE [0,1,0,1,0,0|2,0,0]=4 3599 B7R1.2 CC1CC(=O)CN1 1P021X75 [0,1,0,1,0,0|1,0,0]=3 3600 B7R1.2 CC1CC(=O)CS1 1P019UCN [0,1,0,1,0,0|0,0,0]=2 3601 B7R1.2 CC1CC(=O)NC1 1P0039AR [0,1,0,1,0,0|1,0,0]=3 3602 B7R1.2 CC1CC(=O)OC1 1P00ARBT [0,1,0,1,0,0|1,0,0]=3 3603 B7R1.2 CC1CCC(=O)C1 1P0021LM [0,1,0,1,0,0|1,0,0]=3 3604 B7R1.2 CC1CCC(=O)N1 1P0034RL [0,1,0,1,0,0|2,0,0]=4 3605 B7R1.2 CC1CCC(=O)O1 1P0035FE [0,1,0,1,0,0|2,0,0]=4 3606 B7R1.2 CC1CNC(=O)O1 1P007BAB [0,1,0,1,0,0|2,0,0]=4 3607 B7R1.2 CC1COC(=O)N1 1P001SNQ [0,1,0,1,0,0|2,0,0]=4 3608 B7R1.2 CC1COC(=O)O1 1P0035ZW [0,1,0,1,0,0|2,0,0]=4 3609 B7R1.2 CC1NNC(=O)C1 1P008YFX [0,1,0,1,0,0|2,0,0]=4 3610 B7R1.2 CN1CCC(=O)C1 1P00G7GN [0,1,0,1,0,0|1,0,0]=3 3611 B7R1.2 CN1CCC(=O)C1 1P00IC9G [0,1,0,1,0,0|1,0,0]=3 3612 B7R1.2 CN1CCC(=O)N1 1P0007PB [0,1,0,1,0,0|2,0,0]=4 3613 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [0,1,0,1,0,0|1,0,0]=3 3614 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [0,1,0,1,0,0|1,0,0]=3 3615 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [0,1,0,1,0,0|1,0,0]=3 3616 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [0,1,0,1,0,0|1,0,0]=3 3617 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [0,1,0,1,0,0|2,0,0]=4 3618 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [0,1,0,1,0,0|2,0,0]=4 3619 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [0,1,0,1,0,0|2,0,0]=4 3620 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [0,1,0,1,0,0|2,0,0]=4 3621 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [0,1,0,1,0,0|2,0,0]=4 3622 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [0,1,0,1,0,0|1,0,0]=3 3623 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [0,1,0,1,0,0|1,0,0]=3 3624 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [0,1,0,1,0,0|1,0,0]=3 3625 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [0,1,0,1,0,0|1,0,0]=3 3626 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [0,1,0,1,0,0|2,0,0]=4 3627 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [0,1,0,1,0,0|2,0,0]=4 3628 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [0,1,0,1,0,0|2,0,0]=4 3629 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [0,1,0,1,0,0|2,0,0]=4 3630 B7R1.2 Cc1scc(c1)C 1P00E9VH [0,1,0,1,0,0|1,0,1]=4 3631 B7R1.2 Cc1scc(n1)C 1P0037JU [0,1,0,1,0,0|1,0,1]=4 3632 B7R1.2 ClC1=CC(=O)CC1 1P00DQD8 [0,1,0,1,0,0|1,0,1]=4 3633 B7R1.2 IC1=CC(=O)CC1 1P00EZK7 [0,1,0,1,0,0|1,0,1]=4 3634 B7R1.2 NC1=CC(=O)CC1 1P002W78 [0,1,0,1,0,0|1,0,1]=4 3635 B7R1.2 NC1CC(=O)NC1 1P003AG1 [0,1,0,1,0,0|2,0,0]=4 3636 B7R1.2 NC1CC(=O)NC1 1P00H05Z [0,1,0,1,0,0|2,0,0]=4 3637 B7R1.2 NC1CC(=O)OC1 1P00A9OT [0,1,0,1,0,0|2,0,0]=4 3638 B7R1.2 NC1CCS(=O)C1 1P019SXH [0,1,0,1,0,0|2,0,0]=4 3639 B7R1.2 NC1CSC(C1)C 1P01C3DZ [0,1,0,1,0,0|1,0,1]=4 3640 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [0,1,0,1,0,0|2,0,0]=4 3641 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [0,1,0,1,0,0|2,0,0]=4 3642 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [0,1,0,1,0,0|2,0,0]=4 3643 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [0,1,0,1,0,0|2,0,0]=4 3644 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [0,1,0,1,0,0|2,0,0]=4 3645 B7R1.2 O=C1CCC(=O)C1 1P003322 [0,1,0,1,0,0|1,0,0]=3 3646 B7R1.2 O=C1CCC(=O)N1 1P000KDP [0,1,0,1,0,0|2,0,0]=4 3647 B7R1.2 O=C1CCC(=O)O1 1P003636 [0,1,0,1,0,0|2,0,0]=4 3648 B7R1.2 O=C1CN=C(O1)C 1P002OPR [0,1,0,1,0,0|2,0,0]=4 3649 B7R1.2 O=C1COC(=C1)C 1P00CL5L [0,1,0,1,0,0|0,1,1]=4 3650 B7R1.2 O=C1CSC(=N1)N 1P003UH3 [0,1,0,1,0,0|1,0,1]=4 3651 B7R1.2 O=C1CSC(=N1)N 1P00BC7L [0,1,0,1,0,0|1,0,1]=4 3652 B7R1.2 O=C1CSC(=S)N1 1P001G6W [0,1,0,1,0,0|1,0,1]=4 3653 B7R1.2 O=C1NCC(=O)C1 1P00C7BV [0,1,0,1,0,0|1,0,1]=4 3654 B7R1.2 O=C1NN=C(C1)C 1P003K70 [0,1,0,1,0,0|2,0,0]=4 3655 B7R1.2 O=C1OCC(=O)C1 1P003V89 [0,1,0,1,0,0|0,1,1]=4 3656 B7R1.2 O=C1SCC(=O)N1 1P002M4B [0,1,0,1,0,0|1,0,1]=4 3657 B7R1.2 O=C1SCC(=O)[N-]1 1P019OCG [0,1,0,1,0,0|1,0,1]=4 3658 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [0,1,0,1,0,0|1,0,1]=4 3659 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [0,1,0,1,0,0|1,0,1]=4 3660 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [0,1,0,1,0,0|2,0,0]=4 3661 B7R1.2 OC1CC(=O)OC1 1P003BUD [0,1,0,1,0,0|2,0,0]=4 3662 B7R1.2 OC1CCC(=O)C1 1P0038LJ [0,1,0,1,0,0|1,0,0]=3 3663 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [0,1,0,1,0,0|2,0,0]=4 3664 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [0,1,0,1,0,0|2,0,0]=4 3665 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [0,1,0,1,0,0|2,0,0]=4 3666 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [0,1,0,1,0,0|1,0,1]=4 3667 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [0,1,0,1,0,0|2,0,0]=4 3668 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [0,1,0,1,0,0|2,0,0]=4 3669 B7R1.3 BrC1=CCCCC1 1P0029YC [0,1,0,1,0,0|2,0,0]=4 3670 B7R1.3 BrC1=CCCNC1 1P01B8PC [0,1,0,1,0,0|2,0,0]=4 3671 B7R1.3 BrC1=CCNCC1 1P01FIK1 [0,1,0,1,0,0|2,0,0]=4 3672 B7R1.3 BrC1=CCOCC1 1P003LEM [0,1,0,1,0,0|1,1,0]=4 3673 B7R1.3 BrC1=CCSCC1 1P000OBW [0,1,0,1,0,0|1,0,0]=3 3674 B7R1.3 BrC1CCSCC1 1P00I6LD [0,1,0,1,0,0|1,0,1]=4 3675 B7R1.3 C1CC=NC(=O)N1 1P023TVL [0,1,0,1,0,0|2,0,0]=4 3676 B7R1.3 C=C1CCCCC1 1P000PMZ [0,1,0,1,0,0|2,0,0]=4 3677 B7R1.3 C=C1CCCCN1 1P01C54B [0,1,0,1,0,0|2,0,0]=4 3678 B7R1.3 C=C1CCCNC1 1P018SNS [0,1,0,1,0,0|2,0,0]=4 3679 B7R1.3 C=C1CCCOC1 1P004I6X [0,1,0,1,0,0|1,1,0]=4 3680 B7R1.3 C=C1CCNCC1 1P001JM6 [0,1,0,1,0,0|2,0,0]=4 3681 B7R1.3 C=C1CCOCC1 1P0078D5 [0,1,0,1,0,0|1,1,0]=4 3682 B7R1.3 CC1=CCCNC1 1P00HYHF [0,1,0,1,0,0|2,0,0]=4 3683 B7R1.3 CC1=CCNCC1 1P00377S [0,1,0,1,0,0|2,0,0]=4 3684 B7R1.3 CC1=CCNCC1 1P003UIS [0,1,0,1,0,0|2,0,0]=4 3685 B7R1.3 CC1CSCCN1 1P00GGVG [0,1,0,1,0,0|1,0,1]=4 3686 B7R1.3 C[C@@H]1CSCCN1 1P01EJOQ [0,1,0,1,0,0|1,0,1]=4 3687 B7R1.3 C[C@H]1CSCCN1 1P028NM4 [0,1,0,1,0,0|1,0,1]=4 3688 B7R1.3 ClC1=CCCNC1 1P01C5F1 [0,1,0,1,0,0|2,0,0]=4 3689 B7R1.3 FC1=CCCNC1 1P01A4R5 [0,1,0,1,0,0|2,0,0]=4 3690 B7R1.3 IC1=CCCCC1 1P0020JK [0,1,0,1,0,0|2,0,0]=4 3691 B7R1.3 IC1=CCOCC1 1P01DYXR [0,1,0,1,0,0|1,1,0]=4 3692 B7R1.3 IC1CCSCC1 1P00C2AL [0,1,0,1,0,0|1,0,1]=4 3693 B7R1.3 N=C1COCCN1 1P01FLFR [0,1,0,1,0,0|1,1,0]=4 3694 B7R1.3 NC1=NCCCC1 1P001S57 [0,1,0,1,0,0|2,0,0]=4 3695 B7R1.3 NC1CCCSC1 1P01ALPH [0,1,0,1,0,0|1,0,1]=4 3696 B7R1.3 NC1CCSCC1 1P002NGW [0,1,0,1,0,0|1,0,1]=4 3697 B7R1.3 NC1CCSCC1 1P00C1QN [0,1,0,1,0,0|1,0,1]=4 3698 B7R1.3 NC1CSCSC1 1P01AL3L [0,1,0,1,0,0|1,0,1]=4 3699 B7R1.3 NN1CCSCC1 1P00F0DQ [0,1,0,1,0,0|2,0,0]=4 3700 B7R1.3 O=C1CCC=CN1 1P01BJJF [0,1,0,1,0,0|1,0,1]=4 3701 B7R1.3 O=C1CCCC=C1 1P0033QS [0,1,0,1,0,0|1,0,1]=4 3702 B7R1.3 O=C1CCCCN1 1P0033W9 [0,1,0,1,0,0|1,0,0]=3 3703 B7R1.3 O=C1CCCCO1 1P00IA55 [0,1,0,1,0,0|1,0,0]=3 3704 B7R1.3 O=C1CCCCS1 1P0001ZA [0,1,0,1,0,0|1,0,0]=3 3705 B7R1.3 O=C1CCCNC1 1P0037UG [0,1,0,1,0,0|1,0,0]=3 3706 B7R1.3 O=C1CCCNC1 1P024HTU [0,1,0,1,0,0|1,0,0]=3 3707 B7R1.3 O=C1CCCOC1 1P002NSO [0,1,0,1,0,0|0,1,0]=3 3708 B7R1.3 O=C1CCCSC1 1P002FDM [0,1,0,1,0,0|0,0,0]=2 3709 B7R1.3 O=C1CCNC=C1 1P002PGW [0,1,0,1,0,0|1,0,1]=4 3710 B7R1.3 O=C1CCNCC1 1P0034LQ [0,1,0,1,0,0|1,0,0]=3 3711 B7R1.3 O=C1CCNCC1 1P0036K5 [0,1,0,1,0,0|1,0,0]=3 3712 B7R1.3 O=C1CCNCC1 1P00BYCB [0,1,0,1,0,0|1,0,0]=3 3713 B7R1.3 O=C1CCOC=C1 1P004TYE [0,1,0,1,0,0|0,1,1]=4 3714 B7R1.3 O=C1CCOCC1 1P0034LC [0,1,0,1,0,0|0,1,0]=3 3715 B7R1.3 O=C1CCSCC1 1P003V5X [0,1,0,1,0,0|0,0,0]=2 3716 B7R1.3 O=C1CNCC=C1 1P028FY8 [0,1,0,1,0,0|1,0,1]=4 3717 B7R1.3 O=C1CNCCN1 1P003ICU [0,1,0,1,0,0|1,0,0]=3 3718 B7R1.3 O=C1CNCCO1 1P00DJZ1 [0,1,0,1,0,0|1,0,0]=3 3719 B7R1.3 O=C1COCC=C1 1P00IKIB [0,1,0,1,0,0|0,1,1]=4 3720 B7R1.3 O=C1COCCN1 1P003K2V [0,1,0,1,0,0|0,1,0]=3 3721 B7R1.3 O=C1COCCO1 1P0030I9 [0,1,0,1,0,0|0,1,0]=3 3722 B7R1.3 O=C1CSCCN1 1P0028EL [0,1,0,1,0,0|0,0,0]=2 3723 B7R1.3 O=C1CSCSC1 1P01AL3M [0,1,0,1,0,0|0,0,0]=2 3724 B7R1.3 O=C1NCCC=C1 1P00EDGZ [0,1,0,1,0,0|1,0,1]=4 3725 B7R1.3 O=C1NCCCN1 1P003V5G [0,1,0,1,0,0|2,0,0]=4 3726 B7R1.3 O=C1NCCCO1 1P003E20 [0,1,0,1,0,0|2,0,0]=4 3727 B7R1.3 O=C1NCCCS1 1P001LQ4 [0,1,0,1,0,0|2,0,0]=4 3728 B7R1.3 O=C1NCNCN1 1P005PUL [0,1,0,1,0,0|2,0,0]=4 3729 B7R1.3 O=C1OCCC=C1 1P003MQL [0,1,0,1,0,0|1,0,1]=4 3730 B7R1.3 O=C1OCCCO1 1P002OWF [0,1,0,1,0,0|2,0,0]=4 3731 B7R1.3 O=S1CCNCC1 1P00G616 [0,1,0,1,0,0|2,0,0]=4 3732 B7R1.3 OC1CCCSC1 1P007QC5 [0,1,0,1,0,0|0,0,2]=4 3733 B7R1.3 OC1CCSCC1 1P002ZKU [0,1,0,1,0,0|0,0,2]=4 3734 B7R1.3 OC1CSCSC1 1P01ISDS [0,1,0,1,0,0|0,0,2]=4 3735 B7R1.3 S=C1CCCCC1 1P01G8O5 [0,1,0,1,0,0|1,1,0]=4 3736 B7R1.3 S=C1CCCCN1 1P000VAZ [0,1,0,1,0,0|1,1,0]=4 3737 B7R1.3 S=C1CSCCN1 1P002L18 [0,1,0,1,0,0|0,1,0]=3 3738 B7R1.3 SC1CCSCC1 1P01EJ9C [0,1,0,1,0,0|0,1,1]=4 3739 B7R1.4 C=C1CCCC1O 1P002A2S [0,1,0,1,0,0|2,0,0]=4 3740 B7R1.4 C=C1COCC1N 1P01FIHO [0,1,0,1,0,0|1,1,0]=4 3741 B7R1.4 C=C1COCC1N 1P01FIHP [0,1,0,1,0,0|1,1,0]=4 3742 B7R1.4 C=C1COCC1O 1P028FM7 [0,1,0,1,0,0|1,1,0]=4 3743 B7R1.4 CC1=C(C)CNC1 1P025GHU [0,1,0,1,0,0|2,0,0]=4 3744 B7R1.4 CN1N=CCC1=O 1P0007PE [0,1,0,1,0,0|2,0,0]=4 3745 B7R1.4 N=C1CCCN1C 1P01A0UP [0,1,0,1,0,0|2,0,0]=4 3746 B7R1.4 NC1CCSC1C 1P01C5GM [0,1,0,1,0,0|1,0,1]=4 3747 B7R1.4 NC1CONC1=O 1P00359G [0,1,0,1,0,0|1,1,0]=4 3748 B7R1.4 NC1CSCC1C 1P01BAM2 [0,1,0,1,0,0|1,0,1]=4 3749 B7R1.4 N[C@@H]1CONC1=O 1P00IC8N [0,1,0,1,0,0|1,1,0]=4 3750 B7R1.4 N[C@H]1CONC1=O 1P0035JY [0,1,0,1,0,0|1,1,0]=4 3751 B7R1.4 O=C1C=CCN1C 1P001BMC [0,1,0,1,0,0|1,0,1]=4 3752 B7R1.4 O=C1CCC=C1Br 1P008UEE [0,1,0,1,0,0|1,0,1]=4 3753 B7R1.4 O=C1CCC=C1C 1P0033UM [0,1,0,1,0,0|1,0,1]=4 3754 B7R1.4 O=C1CCC=C1I 1P00CN3A [0,1,0,1,0,0|1,0,1]=4 3755 B7R1.4 O=C1CCC=C1O 1P0036LG [0,1,0,1,0,0|1,0,1]=4 3756 B7R1.4 O=C1CCCC1=O 1P0038K1 [0,1,0,1,0,0|1,0,1]=4 3757 B7R1.4 O=C1CCCC1Br 1P006YX5 [0,1,0,1,0,0|1,0,0]=3 3758 B7R1.4 O=C1CCCC1C 1P008SEF [0,1,0,1,0,0|1,0,0]=3 3759 B7R1.4 O=C1CCCC1Cl 1P005MKG [0,1,0,1,0,0|1,0,0]=3 3760 B7R1.4 O=C1CCCC1N 1P00J8QM [0,1,0,1,0,0|1,0,0]=3 3761 B7R1.4 O=C1CCCC1O 1P00DLEF [0,1,0,1,0,0|1,0,0]=3 3762 B7R1.4 O=C1CCCN1C 1P0035UV [0,1,0,1,0,0|1,0,0]=3 3763 B7R1.4 O=C1CCCN1N 1P0029LU [0,1,0,1,0,0|2,0,0]=4 3764 B7R1.4 O=C1CCCN1N 1P005RO5 [0,1,0,1,0,0|2,0,0]=4 3765 B7R1.4 O=C1CCC[C@H]1F 1P028FZZ [0,1,0,1,0,0|1,0,0]=3 3766 B7R1.4 O=C1CCNC1C 1P02877G [0,1,0,1,0,0|1,0,0]=3 3767 B7R1.4 O=C1CCOC1C 1P003V5J [0,1,0,1,0,0|0,1,0]=3 3768 B7R1.4 O=C1CCSC1C 1P0012U4 [0,1,0,1,0,0|0,0,0]=2 3769 B7R1.4 O=C1CNCN1C 1P01A57S [0,1,0,1,0,0|1,0,0]=3 3770 B7R1.4 O=C1CNCN1C 1P01AF87 [0,1,0,1,0,0|1,0,0]=3 3771 B7R1.4 O=C1COCC1C 1P01B6KD [0,1,0,1,0,0|0,1,0]=3 3772 B7R1.4 O=C1CSCC1C 1P006YBW [0,1,0,1,0,0|0,0,0]=2 3773 B7R1.4 O=C1NCCC1Br 1P00C7B0 [0,1,0,1,0,0|2,0,0]=4 3774 B7R1.4 O=C1NCCC1C 1P00BDOY [0,1,0,1,0,0|2,0,0]=4 3775 B7R1.4 O=C1NCCC1Cl 1P00KB6W [0,1,0,1,0,0|2,0,0]=4 3776 B7R1.4 O=C1NCCC1F 1P024NNW [0,1,0,1,0,0|2,0,0]=4 3777 B7R1.4 O=C1NCCC1N 1P000IFA [0,1,0,1,0,0|2,0,0]=4 3778 B7R1.4 O=C1NCCC1O 1P00ACH1 [0,1,0,1,0,0|2,0,0]=4 3779 B7R1.4 O=C1NCCN1C 1P0038Y4 [0,1,0,1,0,0|2,0,0]=4 3780 B7R1.4 O=C1NCC[C@@H]1F 1P0204HG [0,1,0,1,0,0|2,0,0]=4 3781 B7R1.4 O=C1NCC[C@@H]1N 1P0037IQ [0,1,0,1,0,0|2,0,0]=4 3782 B7R1.4 O=C1NCC[C@@H]1N 1P00737U [0,1,0,1,0,0|2,0,0]=4 3783 B7R1.4 O=C1NCC[C@@H]1O 1P003D2P [0,1,0,1,0,0|2,0,0]=4 3784 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [0,1,0,1,0,0|2,0,0]=4 3785 B7R1.4 O=C1NCC[C@H]1F 1P00K9Y2 [0,1,0,1,0,0|2,0,0]=4 3786 B7R1.4 O=C1NCC[C@H]1N 1P0036IE [0,1,0,1,0,0|2,0,0]=4 3787 B7R1.4 O=C1NCC[C@H]1N 1P006Z7M [0,1,0,1,0,0|2,0,0]=4 3788 B7R1.4 O=C1NCC[C@H]1O 1P003717 [0,1,0,1,0,0|2,0,0]=4 3789 B7R1.4 O=C1OCCC1Br 1P003VWE [0,1,0,1,0,0|2,0,0]=4 3790 B7R1.4 O=C1OCCC1C 1P0039WP [0,1,0,1,0,0|2,0,0]=4 3791 B7R1.4 O=C1OCCC1N 1P000ISK [0,1,0,1,0,0|2,0,0]=4 3792 B7R1.4 O=C1OCCC1N 1P0039XO [0,1,0,1,0,0|2,0,0]=4 3793 B7R1.4 O=C1OCCC1N 1P003O8H [0,1,0,1,0,0|2,0,0]=4 3794 B7R1.4 O=C1OCCC1O 1P00I3IV [0,1,0,1,0,0|2,0,0]=4 3795 B7R1.4 O=C1OCCC1S 1P001CQF [0,1,0,1,0,0|2,0,0]=4 3796 B7R1.4 O=C1OCCN1C 1P002BY1 [0,1,0,1,0,0|2,0,0]=4 3797 B7R1.4 O=C1OCC[C@@H]1N 1P003CUP [0,1,0,1,0,0|2,0,0]=4 3798 B7R1.4 O=C1OCC[C@@H]1N 1P00I4P8 [0,1,0,1,0,0|2,0,0]=4 3799 B7R1.4 O=C1OCC[C@@H]1O 1P00DEAA [0,1,0,1,0,0|2,0,0]=4 3800 B7R1.4 O=C1OCC[C@H]1N 1P00355Q [0,1,0,1,0,0|2,0,0]=4 3801 B7R1.4 O=C1OCC[C@H]1N 1P00DJY6 [0,1,0,1,0,0|2,0,0]=4 3802 B7R1.4 O=C1OCC[C@H]1O 1P0032VV [0,1,0,1,0,0|2,0,0]=4 3803 B7R1.4 O=C1SCCC1N 1P003A2J [0,1,0,1,0,0|2,0,0]=4 3804 B7R1.4 O=C1SCC[C@@H]1N 1P00BYQS [0,1,0,1,0,0|2,0,0]=4 3805 B7R1.4 OC1CCSC1C 1P019UA5 [0,1,0,1,0,0|0,0,2]=4 3806 B7R1.4 S=C1CCCN1C 1P003EZL [0,1,0,1,0,0|1,1,0]=4 3807 B7R1.8 CCC1CCC1=O 1P008TOV [0,1,0,1,0,0|1,0,0]=3 3808 B7R1.8 CNC1CNC1=O 1P028A60 [0,1,0,1,0,0|1,0,0]=3 3809 B7R1.8 COC1CCC1=O 1P01JVE1 [0,1,0,1,0,0|0,1,0]=3 3810 B7R1.8 CSC1CCC1=O 1P01C4DE [0,1,0,1,0,0|0,0,0]=2 3811 B7R1.8 CSC1CCC1N 1P028EVO [0,1,0,1,0,0|1,0,1]=4 3812 B7R1.8 CSC1CCC1O 1P0285L2 [0,1,0,1,0,0|0,0,2]=4 3813 B7R1.8 OCC1CCC1=O 1P00I4ZH [0,1,0,1,0,0|2,0,0]=4 3814 B7R1.9 CCC1CC1C=O 1P02924W [0,1,0,1,0,0|1,0,1]=4 3815 B7R1.10 BrCC1CC(=C)C1 1P01KA1D [0,1,0,1,0,0|2,0,0]=4 3816 B7R1.10 BrCC1CC(=O)C1 1P00DQGD [0,1,0,1,0,0|1,0,0]=3 3817 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [0,1,0,1,0,0|2,0,0]=4 3818 B7R1.10 C#CC1CC(=O)C1 1P027WHF [0,1,0,1,0,0|1,0,1]=4 3819 B7R1.10 C=CC1CC(=O)C1 1P00H7U7 [0,1,0,1,0,0|1,0,1]=4 3820 B7R1.10 C=CC1CC(=O)N1 1P005H50 [0,1,0,1,0,0|1,0,1]=4 3821 B7R1.10 CCC1CC(=O)C1 1P00EUCH [0,1,0,1,0,0|1,0,0]=3 3822 B7R1.10 CNC1CC(=C)C1 1P028NY3 [0,1,0,1,0,0|2,0,0]=4 3823 B7R1.10 COC1CC(=O)C1 1P0031WV [0,1,0,1,0,0|0,1,0]=3 3824 B7R1.10 CSC1CC(=O)C1 1P01C0J1 [0,1,0,1,0,0|0,0,0]=2 3825 B7R1.10 CSC1CC(C1)O 1P01AVEC [0,1,0,1,0,0|0,0,2]=4 3826 B7R1.10 CSC1CC(C1)S 1P0291FM [0,1,0,1,0,0|0,1,1]=4 3827 B7R1.10 CS[C@@H]1C[C@@H](C1)N 1P0292W8 [0,1,0,1,0,0|1,0,1]=4 3828 B7R1.10 CS[C@@H]1C[C@@H](C1)O 1P01BRI3 [0,1,0,1,0,0|0,0,2]=4 3829 B7R1.10 CS[C@@H]1C[C@H](C1)N 1P01BS0J [0,1,0,1,0,0|1,0,1]=4 3830 B7R1.10 CS[C@@H]1C[C@H](C1)O 1P0281VN [0,1,0,1,0,0|0,0,2]=4 3831 B7R1.10 CS[C@@H]1C[C@H](C1)S 1P027W3G [0,1,0,1,0,0|0,1,1]=4 3832 B7R1.10 ClCC1CC(=C)C1 1P028F7O [0,1,0,1,0,0|2,0,0]=4 3833 B7R1.10 ClCC1CC(=O)C1 1P0020KN [0,1,0,1,0,0|1,0,0]=3 3834 B7R1.10 FCC1CC(=O)C1 1P018JAY [0,1,0,1,0,0|1,0,0]=3 3835 B7R1.10 ICC1CC(=O)N1 1P008PV6 [0,1,0,1,0,0|2,0,0]=4 3836 B7R1.10 N#CC1CC(=O)C1 1P0028QC [0,1,0,1,0,0|1,0,1]=4 3837 B7R1.10 NCC1CC(=C)C1 1P00GVH1 [0,1,0,1,0,0|2,0,0]=4 3838 B7R1.10 NCC1CC(=O)C1 1P001H61 [0,1,0,1,0,0|1,0,0]=3 3839 B7R1.10 OCC1CC(=C)C1 1P01C3J9 [0,1,0,1,0,0|2,0,0]=4 3840 B7R1.10 OCC1CC(=O)C1 1P00288D [0,1,0,1,0,0|1,0,0]=3 3841 B7R1.10 OCC1CC(=O)N1 1P00FCZO [0,1,0,1,0,0|2,0,0]=4 3842 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [0,1,0,1,0,0|2,0,0]=4 3843 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [0,1,0,1,0,0|2,0,0]=4 3844 B7R1.15 CC1C(=O)CC1=O 1P01EIR4 [0,1,0,1,0,0|2,0,0]=4 3845 B7R1.15 CC1C(C)CC1=O 1P00CVG5 [0,1,0,1,0,0|1,0,0]=3 3846 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 1P01KA9U [0,1,0,1,0,0|2,0,0]=4 3847 B7R1.21 CSCC1(N)CC1 1P028BE9 [0,1,0,1,0,0|1,0,1]=4 3848 B7R1.22 BrCC(=O)C1CC1 1P0033LH [0,1,0,1,0,0|1,0,0]=3 3849 B7R1.22 C#CC(=O)C1CC1 1P027Y5N [0,1,0,1,0,0|1,0,1]=4 3850 B7R1.22 C=CC(=O)C1CC1 1P00ESOF [0,1,0,1,0,0|1,0,1]=4 3851 B7R1.22 CCC(=O)C1CC1 1P00FHR5 [0,1,0,1,0,0|1,0,0]=3 3852 B7R1.22 CNC(=N)C1CC1 1P01BC4A [0,1,0,1,0,0|2,0,0]=4 3853 B7R1.22 CNC(=O)C1CC1 1P0060X3 [0,1,0,1,0,0|1,0,0]=3 3854 B7R1.22 COC(=N)C1CC1 1P005T3M [0,1,0,1,0,0|2,0,0]=4 3855 B7R1.22 COC(=O)C1CC1 1P002WJH [0,1,0,1,0,0|1,0,0]=3 3856 B7R1.22 COC(=O)C1CN1 1P003SFZ [0,1,0,1,0,0|1,0,0]=3 3857 B7R1.22 COC(=O)C1CO1 1P0036AI [0,1,0,1,0,0|0,1,0]=3 3858 B7R1.22 COC(=O)[C@@H]1CO1 1P0035LP [0,1,0,1,0,0|0,1,0]=3 3859 B7R1.22 COC(=O)[C@H]1CO1 1P0035LN [0,1,0,1,0,0|0,1,0]=3 3860 B7R1.22 COC(=S)C1CC1 1P01FL50 [0,1,0,1,0,0|1,1,0]=4 3861 B7R1.22 ClCC(=O)C1CC1 1P005KYK [0,1,0,1,0,0|1,0,0]=3 3862 B7R1.22 FCC(=O)C1CC1 1P00CZHZ [0,1,0,1,0,0|1,0,0]=3 3863 B7R1.22 NCC(=O)C1CC1 1P01A4QP [0,1,0,1,0,0|1,0,0]=3 3864 B7R1.22 NNC(=O)C1CC1 1P005XS9 [0,1,0,1,0,0|2,0,0]=4 3865 B7R1.22 OCC(=O)C1CC1 1P019ZQ5 [0,1,0,1,0,0|1,0,0]=3 3866 B7R1.22 ONC(=O)C1CC1 1P019U87 [0,1,0,1,0,0|2,0,0]=4 3867 B7R1.25 BrCC1(C)CSC1 1P01FIKU [0,1,0,1,0,0|1,0,1]=4 3868 B7R1.25 C#CC1(C)CSC1 1P027W16 [0,1,0,1,0,0|1,0,1]=4 3869 B7R1.25 NCC1(C)CSC1 1P01FJY7 [0,1,0,1,0,0|1,0,1]=4 3870 B7R1.25 NCC1(O)CSC1 1P027ZE5 [0,1,0,1,0,0|0,0,2]=4 3871 B7R1.25 O=CC1(C)CCC1 1P00IBY1 [0,1,0,1,0,0|1,0,1]=4 3872 B7R1.25 O=CC1(C)COC1 1P0065Y1 [0,1,0,1,0,0|0,1,1]=4 3873 B7R1.25 O=CC1(C)CSC1 1P01EMS4 [0,1,0,1,0,0|0,0,1]=3 3874 B7R1.25 OCC1(C)CSC1 1P00F1GP [0,1,0,1,0,0|0,0,2]=4 3875 B7R1.27 CC1(CC1C)C=O 1P01BICJ [0,1,0,1,0,0|1,0,1]=4 3876 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [0,1,0,1,0,0|1,0,0]=3 3877 B7R1.12 CC1=CC1C(=O)O 1P01A35R [0,1,0,1,0,0|2,0,0]=4 3878 B7R1.12 CC1CC1C(=O)C 1P01ALPC [0,1,0,1,0,0|1,0,0]=3 3879 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [0,1,0,1,0,0|2,0,0]=4 3880 B7R1.12 CC1CC1C(=O)N 1P00GA8W [0,1,0,1,0,0|2,0,0]=4 3881 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,1,0,1,0,0|2,0,0]=4 3882 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,1,0,1,0,0|2,0,0]=4 3883 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [0,1,0,1,0,0|1,0,0]=3 3884 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,1,0,1,0,0|2,0,0]=4 3885 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [0,1,0,1,0,0|1,0,0]=3 3886 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,1,0,1,0,0|2,0,0]=4 3887 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [0,1,0,1,0,0|1,1,0]=4 3888 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [0,1,0,1,0,0|1,0,0]=3 3889 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,1,0,1,0,0|2,0,0]=4 3890 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [0,1,0,1,0,0|1,0,0]=3 3891 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,1,0,1,0,0|2,0,0]=4 3892 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [0,1,0,1,0,0|2,0,0]=4 3893 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [0,1,0,1,0,0|2,0,0]=4 3894 B7R1.12 NC(=O)[C@H]1C[C@H]1F 1P000PAK [0,1,0,1,0,0|2,0,0]=4 3895 B7R1.12 OC(=O)C1CC1=C 1P01AELS [0,1,0,1,0,0|2,0,0]=4 3896 B7R1.12 OC(=O)C1CC1F 1P001PI5 [0,1,0,1,0,0|2,0,0]=4 3897 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [0,1,0,1,0,0|2,0,0]=4 3898 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [0,1,0,1,0,0|2,0,0]=4 3899 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [0,1,0,1,0,0|2,0,0]=4 3900 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [0,1,0,1,0,0|2,0,0]=4 3901 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [0,1,0,1,0,0|2,0,0]=4 3902 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [0,1,0,1,0,0|2,0,0]=4 3903 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [0,1,0,1,0,0|2,0,0]=4 3904 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [0,1,0,1,0,0|2,0,0]=4 3905 B7R1.16 C=C1CC(C1)(C)N 1P027WAS [0,1,0,1,0,0|2,0,0]=4 3906 B7R1.16 O=C1CC(C1)(C)C 1P000ITC [0,1,0,1,0,0|1,0,0]=3 3907 B7R1.16 O=C1CC(C1)(C)N 1P00ILOR [0,1,0,1,0,0|1,0,0]=3 3908 B7R1.16 O=C1CC(C1)(F)F 1P000XFE [0,1,0,1,0,0|2,0,0]=4 3909 B7R1.16 O=C1CC(N1)(C)C 1P00DP7Y [0,1,0,1,0,0|2,0,0]=4 3910 B7R1.16 O=C1CS(=O)(=O)C1 1P001RZA [0,1,0,1,0,0|1,0,1]=4 3911 B7R1.20 CC(=C)CC1CC1 1P01BSO5 [0,1,0,1,0,0|2,0,0]=4 3912 B7R1.20 CC(=O)CC1CC1 1P0037WP [0,1,0,1,0,0|1,0,0]=3 3913 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [0,1,0,1,0,0|2,0,0]=4 3914 B7R1.20 ClC(=O)NC1CC1 1P01DX1E [0,1,0,1,0,0|2,0,0]=4 3915 B7R1.20 ClC(=O)OC1CC1 1P00E2V3 [0,1,0,1,0,0|2,0,0]=4 3916 B7R1.20 NC(=O)CC1CC1 1P0086XZ [0,1,0,1,0,0|2,0,0]=4 3917 B7R1.20 NC(=O)NC1CC1 1P002BDF [0,1,0,1,0,0|2,0,0]=4 3918 B7R1.20 OC(=O)CC1CC1 1P00395B [0,1,0,1,0,0|2,0,0]=4 3919 B7R1.20 OC(=O)CC1CO1 1P01DYAP [0,1,0,1,0,0|1,1,0]=4 3920 B7R1.18 CC(=O)C1CCC1 1P003PKG [0,1,0,1,0,0|1,0,0]=3 3921 B7R1.18 CC(=O)C1CNC1 1P00A20O [0,1,0,1,0,0|1,0,0]=3 3922 B7R1.18 CC(=O)C1COC1 1P01DY8T [0,1,0,1,0,0|0,1,0]=3 3923 B7R1.18 CC(=O)C1CSC1 1P01E9GS [0,1,0,1,0,0|0,0,0]=2 3924 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [0,1,0,1,0,0|1,0,0]=3 3925 B7R1.18 CC(C1CSC1)N 1P01DW2I [0,1,0,1,0,0|1,0,1]=4 3926 B7R1.18 CC(C1CSC1)N 1P01FKEK [0,1,0,1,0,0|1,0,1]=4 3927 B7R1.18 CS(=O)C1CNC1 1P01JM6Y [0,1,0,1,0,0|2,0,0]=4 3928 B7R1.18 CS(=O)C1CNC1 1P028LF7 [0,1,0,1,0,0|2,0,0]=4 3929 B7R1.18 ClC(=O)C1CCC1 1P00353Y [0,1,0,1,0,0|2,0,0]=4 3930 B7R1.18 ClC(=O)N1CCC1 1P01DX42 [0,1,0,1,0,0|2,0,0]=4 3931 B7R1.18 NC(=N)C1CSC1 1P027ZDZ [0,1,0,1,0,0|2,0,0]=4 3932 B7R1.18 NC(=O)C1CCC1 1P001MYW [0,1,0,1,0,0|2,0,0]=4 3933 B7R1.18 NC(=O)C1CCN1 1P000VNK [0,1,0,1,0,0|2,0,0]=4 3934 B7R1.18 NC(=O)C1CNC1 1P000N1N [0,1,0,1,0,0|2,0,0]=4 3935 B7R1.18 NC(=O)C1CNC1 1P008PMO [0,1,0,1,0,0|2,0,0]=4 3936 B7R1.18 NC(=O)C1COC1 1P01DGLG [0,1,0,1,0,0|1,1,0]=4 3937 B7R1.18 NC(=O)N1CCC1 1P01LJEJ [0,1,0,1,0,0|2,0,0]=4 3938 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [0,1,0,1,0,0|2,0,0]=4 3939 B7R1.18 OC(=O)C1CCC1 1P00353Z [0,1,0,1,0,0|2,0,0]=4 3940 B7R1.18 OC(=O)C1CCN1 1P002R80 [0,1,0,1,0,0|2,0,0]=4 3941 B7R1.18 OC(=O)C1CCO1 1P0036EM [0,1,0,1,0,0|1,1,0]=4 3942 B7R1.18 OC(=O)C1CNC1 1P0008FD [0,1,0,1,0,0|2,0,0]=4 3943 B7R1.18 OC(=O)C1CNC1 1P003429 [0,1,0,1,0,0|2,0,0]=4 3944 B7R1.18 OC(=O)C1COC1 1P000AR0 [0,1,0,1,0,0|1,1,0]=4 3945 B7R1.18 OC(=O)C1CSC1 1P005KXP [0,1,0,1,0,0|1,0,0]=3 3946 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [0,1,0,1,0,0|2,0,0]=4 3947 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [0,1,0,1,0,0|1,1,0]=4 3948 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [0,1,0,1,0,0|2,0,0]=4 3949 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [0,1,0,1,0,0|2,0,0]=4 3950 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [0,1,0,1,0,0|1,1,0]=4 3951 B7R1.19 CC(=O)C1(Br)CC1 1P00EIF5 [0,1,0,1,0,0|1,0,0]=3 3952 B7R1.19 CC(=O)C1(C)CC1 1P001PDI [0,1,0,1,0,0|1,0,0]=3 3953 B7R1.19 CC(=O)C1(C)CO1 1P00DD7J [0,1,0,1,0,0|0,1,0]=3 3954 B7R1.19 CC(=O)C1(Cl)CC1 1P0039TS [0,1,0,1,0,0|1,0,0]=3 3955 B7R1.19 CC(=O)C1(F)CC1 1P00ELCH [0,1,0,1,0,0|1,0,0]=3 3956 B7R1.19 CC(=O)C1(N)CC1 1P01C30Z [0,1,0,1,0,0|1,0,0]=3 3957 B7R1.19 CC1(CO1)C(=O)O 1P003B26 [0,1,0,1,0,0|1,1,0]=4 3958 B7R1.19 ClC(=O)C1(C)CC1 1P0038FK [0,1,0,1,0,0|2,0,0]=4 3959 B7R1.19 ClC(=O)C1(F)CC1 1P01OO89 [0,1,0,1,0,0|2,0,0]=4 3960 B7R1.19 NC(=O)C1(Br)CC1 1P002C6O [0,1,0,1,0,0|2,0,0]=4 3961 B7R1.19 NC(=O)C1(C)CC1 1P001QXO [0,1,0,1,0,0|2,0,0]=4 3962 B7R1.19 NC(=O)C1(F)CC1 1P024TSB [0,1,0,1,0,0|2,0,0]=4 3963 B7R1.19 NC(=O)C1(N)CC1 1P0013ML [0,1,0,1,0,0|2,0,0]=4 3964 B7R1.19 NC(=O)C1(N)CC1 1P00I6M9 [0,1,0,1,0,0|2,0,0]=4 3965 B7R1.19 OC(=O)C1(Br)CC1 1P0087LA [0,1,0,1,0,0|2,0,0]=4 3966 B7R1.19 OC(=O)C1(C)CC1 1P003793 [0,1,0,1,0,0|2,0,0]=4 3967 B7R1.19 OC(=O)C1(Cl)CC1 1P01ALB2 [0,1,0,1,0,0|2,0,0]=4 3968 B7R1.19 OC(=O)C1(F)CC1 1P0013A5 [0,1,0,1,0,0|2,0,0]=4 3969 B7R1.19 OC(=O)C1(I)CC1 1P028GK9 [0,1,0,1,0,0|2,0,0]=4 3970 B7R1.19 OC(=O)C1(N)CC1 1P003350 [0,1,0,1,0,0|2,0,0]=4 3971 B7R1.19 OC(=O)C1(N)CC1 1P006HMC [0,1,0,1,0,0|2,0,0]=4 3972 B7R1.19 OC(=O)C1(O)CC1 1P0021XR [0,1,0,1,0,0|2,0,0]=4 3973 B7R1.14 BrP1(=O)CCCC1 1P028B8C [0,1,0,1,0,0|2,0,0]=4 3974 B7R1.14 CC1(C)NCSC1 1P028WHC [0,1,0,1,0,0|1,0,1]=4 3975 B7R1.14 CC1(N)CSCC1 1P0285MP [0,1,0,1,0,0|1,0,1]=4 3976 B7R1.14 ClP1(=O)CCCC1 1P01HRPE [0,1,0,1,0,0|2,0,0]=4 3977 B7R1.14 N=S1(=O)CCCC1 1P00I9JP [0,1,0,1,0,0|2,0,0]=4 3978 B7R1.14 O=S1(=O)CCCC1 1P000R4N [0,1,0,1,0,0|2,0,0]=4 3979 B7R1.26 CP(=O)(C1OC1)C 1P028TY4 [0,1,0,1,0,0|1,1,0]=4