0 B14R0.392 CCCCCCCCCCCCCCC V0208 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 CCCCCCCCCCCCCCF 8905AE [0,0,0,0,0,0|1,0,1]=2 2 B14R0.392 CCCCCCCCCCCCCCS 7741AJ [0,0,0,0,0,0|0,1,1]=2 3 B14R0.392 CCCCCCCCCCCCN=C=S 8396AC [0,0,0,0,0,0|1,1,1]=3 4 B14R0.392 OCCCCCCCCCCCCCBr 1555AL [0,0,0,0,0,0|1,0,2]=3 5 B14R0.392 OCCCCCCCCCCCCCO 6104AA [0,0,0,0,0,0|1,0,2]=3 6 B13R0.336 C=CCCCCCCCCCCC=C 4351AL [1,0,0,0,0,0|0,0,3]=4 7 B13R0.336 CCCCCCC#CCCCCCC 6897AL [1,0,0,0,0,0|0,0,3]=4 8 B13R0.336 CCCCCCCCCCCCC#N 9273AL [1,0,0,0,0,0|1,0,1]=3 9 B13R0.336 CCCCCCCCCCCCC=O 9272AL [1,0,0,0,0,0|0,0,0]=1 10 B13R0.336 CCCCCCCCCCCCNC 7567AH [1,0,0,0,0,0|1,0,1]=3 11 B13R0.336 CCCCCC\C=C\CCCCCC 6896AL [1,0,0,0,0,0|0,0,3]=4 12 B13R0.336 NCCCCCCCCCCCCO 4725AL [1,0,0,0,0,0|1,0,1]=3 13 B15R0.70 CCCCCCCCCCCCCCC#N 6301AF [0,1,0,0,0,0|1,0,1]=3 14 B15R0.70 CCCCCCCCCCCCCCC=O 8751AL [0,1,0,0,0,0|0,0,0]=1 15 B15R0.70 CCCCCCCCCCCCOCCO 5046AL [0,1,0,0,0,0|0,0,2]=3 16 B15R0.70 OCCCCCCCCCCCCCCBr 1333AC [0,1,0,0,0,0|0,0,2]=3 17 B15R0.81 CCCCCCCCCCCCC(O)CO 0787AB [0,1,0,0,0,0|0,0,2]=3 18 B15R0.133 CCCCCCCC(=O)CCCCCCC 2671AC [0,1,0,0,0,0|1,0,2]=4 19 B15R0.164 CCCCCCCCCCCCOC(=O)Cl O682 [0,1,0,0,0,0|1,0,0]=2 20 B15R0.164 CCCCCCCCCCCSCC(=O)O 1392AH [0,1,0,0,0,0|1,0,0]=2 21 B15R0.164 CCCOCCCCCCCCCC(=O)O 1138AH [0,1,0,0,0,0|1,0,0]=2 22 B15R1.2988 C1CCCCCCCCCCCCCC1 7524AL [0,0,0,1,0,0|1,0,1]=3 23 B15R1.3873 S=C=NC1CCCCCCCCCCC1 6296AE [0,0,0,1,0,0|1,1,1]=4 24 B12R0.5 C=CCCCCCCCCCCC 4969AL [2,0,0,0,0,0|0,0,1]=3 25 B12R0.5 NCCCCCCCCCCCN 5916AF [2,0,0,0,0,0|2,0,0]=4 26 B14R0.145 CCCCCCCC(O)CCCCCC 6895AL [1,1,0,0,0,0|0,0,1]=3 27 B14R0.337 CCCCCCCCCCCC(=O)CC 6163AL [1,1,0,0,0,0|0,0,2]=4 28 B14R0.394 CCCCCCCCCCCCB(O)O X0697 [1,1,0,0,0,0|1,0,1]=4 29 B14R0.394 CCCCCCCCCCCCS(C)=O 1375AQ [1,1,0,0,0,0|1,0,0]=3 30 B14R0.394 CCCCCCCCCC\C=C\C(=O)O 5803AL [1,1,0,0,0,0|0,0,2]=4 31 B14R0.394 O=C(O)CCCCCCCCCCCO W6586 [1,1,0,0,0,0|1,0,0]=3 32 B16R0.68 C=CCCCCCCCCC(=O)OCCCC 1851AA [0,2,0,0,0,0|1,0,1]=4 33 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 8537AL [0,2,0,0,0,0|1,0,0]=3 34 B16R0.221 CCCCCCCCCCCCCC(=O)CC 6056AL [0,2,0,0,0,0|0,0,0]=2 35 B16R0.303 CCCCCCCCCCCCNCCC#N 4117AE [0,2,0,0,0,0|1,0,1]=4 36 B16R0.303 CCCCCCCCCCCCOCCCN 1848AC [0,2,0,0,0,0|1,0,1]=4 37 B16R0.303 CCCC\C=C/CCCCCCCCCCO 8295AB [0,2,0,0,0,0|0,0,2]=4 38 B16R0.303 CCCC\C=C\CCCCCCCCCCO 9174AB [0,2,0,0,0,0|0,0,2]=4 39 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O 6231AF [0,2,0,0,0,0|0,0,0]=2 40 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O 6067AL [0,2,0,0,0,0|0,0,0]=2 41 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] 8968AL [0,2,0,0,0,0|1,0,0]=3 42 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O 6608AH [0,2,0,0,0,0|2,0,0]=4 43 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O 8143AL [0,2,0,0,0,0|2,0,0]=4 44 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] 7325AH [0,2,0,0,0,0|2,0,0]=4 45 B14R1.247 O=C1CCCCCCCCCCC1Cl 5570AL [1,0,0,1,0,0|1,0,0]=3 46 B14R1.4408 O=C1CCCCCCCCCCCO1 1382AQ [1,0,0,1,0,0|1,0,0]=3 47 B16R1.8816 OC1CCCCCCCCCCCCCC1 7525AL [0,1,0,1,0,0|0,0,2]=4