0  B16R0.274  O=C(O)CCCCCCCCCCCCCBr D85273 [1,1,0,0,0,0|1,0,1]=4
1  B18R0.176  O=C(O)CCCCCCCCCCCCCCCS D70988 [0,2,0,0,0,0|0,0,1]=3