smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCOC[C@@H](O)C[N+](C)(C)C[C@@H](O)CS(=O)(=O)O	33650092	NMZCVTRJSNHYLV-NWDGAFQWSA-O	314.424	-0.511	5	30	DBBC	
C[C@H](O)C[N@+](C)(CC[N@+](C)(C[C@H](C)O)C[C@@H](C)O)C[C@@H](C)O	256874120	LEEJAPMRYZTVBK-COYYTBTLSA-N	322.490	-0.597	5	30	DBBC	
CCCCOC[C@@H](O)C[N+](C)(C)C[C@H](O)CS(=O)(=O)O	33650090	NMZCVTRJSNHYLV-RYUDHWBXSA-O	314.424	-0.511	5	30	DBBC	
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](CC(=O)O)[N+](=O)[O-]	5759684	LGJDFRQTFRTVII-ZKWXMUAHSA-N	305.287	-0.951	5	30	DBBC	biogenic,in-vitro
CN(NS(=O)(=O)CS(C)(=O)=O)c1ncccc1[N+](=O)[O-]	12369228	MZIVIPXKXJMQGX-UHFFFAOYSA-N	324.340	-0.738	5	30	DBBC	
CC(COCOCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	95678382	ZQXWPHXDXHONFS-UHFFFAOYSA-N	312.191	-0.484	5	30	DBBC	
CCCCOC[C@H](O)C[N+](C)(C)C[C@H](O)CS(=O)(=O)O	33650089	NMZCVTRJSNHYLV-NEPJUHHUSA-O	314.424	-0.511	5	30	DBBC	
C[N+](CCO)(CCO)CCCCCC[N+](C)(CCO)CCO	197041023	HLFFJFZEUVQDMS-UHFFFAOYSA-N	322.490	-0.591	5	30	DBBC	
C[C@H](O)C[N+](C)(CC[N+](C)(C[C@@H](C)O)C[C@@H](C)O)C[C@H](C)O	256874125	LEEJAPMRYZTVBK-RUPPMWDTSA-N	322.490	-0.597	5	30	DBBC	
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](CC(=O)O)[N+](=O)[O-]	5759683	LGJDFRQTFRTVII-OOZYFLPDSA-N	305.287	-0.951	5	30	DBBC	biogenic,in-vitro
C[C@H](O)C[N+](C)(CC[N@+](C)(C[C@H](C)O)C[C@@H](C)O)C[C@H](C)O	256874129	LEEJAPMRYZTVBK-YXISZKLHSA-N	322.490	-0.597	5	30	DBBC	
CCCCOC[C@H](O)C[N+](C)(C)C[C@@H](O)CS(=O)(=O)O	33650091	NMZCVTRJSNHYLV-VXGBXAGGSA-O	314.424	-0.511	5	30	DBBC	
C[C@H](O)C[N+](C)(CC[N+](C)(C[C@H](C)O)C[C@H](C)O)C[C@H](C)O	256874126	LEEJAPMRYZTVBK-VGWMRTNUSA-N	322.490	-0.597	5	30	DBBC