smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cn(CC[N@H+]2CCO[C@H]3CCCC[C@@H]32)cn1	ZINC000159758666	398342359	/nfs/dbraw/zinc/34/23/59/398342359.db2.gz	VZJIRAXQBIIDAD-STQMWFEESA-N	2	1	235.331	1.527	10	70		BDIEMP
CN(CCC[NH3+])c1cc[nH+]cc1Br	ZINC000159793041	343202336	/nfs/dbraw/zinc/20/23/36/343202336.db2.gz	OELKOMUSZBSAHL-UHFFFAOYSA-N	2	1	244.136	1.629	10	70		BDIEMP
C[C@@H](CNC1=[NH+]CCS1)[NH+]1CCCC1	ZINC000161432014	369060185	/nfs/dbraw/zinc/06/01/85/369060185.db2.gz	WQRACWKQCORDJL-VIFPVBQESA-N	2	1	213.350	1.163	10	70		BDIEMP
CCN(CC[NH3+])c1cc[nH+]cc1Br	ZINC000160024546	361297266	/nfs/dbraw/zinc/29/72/66/361297266.db2.gz	PKENDOWSUXOEOV-UHFFFAOYSA-N	2	1	244.136	1.629	10	70		BDIEMP
Cc1cc[nH+]c(NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000161341803	384482050	/nfs/dbraw/zinc/48/20/50/384482050.db2.gz	PSSQUWCUAJCVPV-ZDUSSCGKSA-N	2	1	249.358	1.649	10	70		BDIEMP
Cc1cc[nH+]c(NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000161341910	384483352	/nfs/dbraw/zinc/48/33/52/384483352.db2.gz	PSSQUWCUAJCVPV-CYBMUJFWSA-N	2	1	249.358	1.649	10	70		BDIEMP
c1cn(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1	ZINC000159758801	398342419	/nfs/dbraw/zinc/34/24/19/398342419.db2.gz	VZJIRAXQBIIDAD-QWHCGFSZSA-N	2	1	235.331	1.527	10	70		BDIEMP
C[C@H](CNC1=[NH+]CCS1)[NH+]1CCCC1	ZINC000161432140	369060625	/nfs/dbraw/zinc/06/06/25/369060625.db2.gz	WQRACWKQCORDJL-SECBINFHSA-N	2	1	213.350	1.163	10	70		BDIEMP