smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H](C=O)[C@](C)(O)[C@@H](N)[C@H](C)O	33914481	168204314	/nfs/dbraw/zinc/20/43/14/168204314.db2.gz	VYVWNADPXPVZPS-XAMCCFCMSA-N	0	3	191.227	-1.341	1	30	in-vitro	AAEFHN
C[C@@H](O)[C@@H](N)[C@H](O)[C@@H](N)C=O	64622627	168397918	/nfs/dbraw/zinc/39/79/18/168397918.db2.gz	UOKKJQVOZSYEJM-JGWLITMVSA-N	0	3	162.189	-2.418	1	30	in-vitro	AAEFHN
C[C@@H](O)[C@@H](O)[C@@H](N)CC=O	17424111	168397954	/nfs/dbraw/zinc/39/79/54/168397954.db2.gz	WPJRFCZKZXBUNI-NGJCXOISSA-N	0	3	147.174	-1.356	1	30		AAEFHN
C[C@@H](O)[C@H](O)[C@@H](N)CC=O	17424115	168398415	/nfs/dbraw/zinc/39/84/15/168398415.db2.gz	WPJRFCZKZXBUNI-SRQIZXRXSA-N	0	3	147.174	-1.356	1	30		AAEFHN
[NH2+]=C1NC2=NC=N[C@@H]2[C@H]([S-])N1	8582231	171021360	/nfs/dbraw/zinc/02/13/60/171021360.db2.gz	QODVPPGFYGRVGU-OKKQSCSOSA-N	0	3	169.213	-1.031	1	30		AAEFHN
[NH2+]=C1NC2=NC=N[C@@H]2[C@@H]([S-])N1	8582232	171021572	/nfs/dbraw/zinc/02/15/72/171021572.db2.gz	QODVPPGFYGRVGU-ZAFYKAAXSA-N	0	3	169.213	-1.031	1	30		AAEFHN
[NH2+]=C1NC2=NC=N[C@H]2[C@@H]([S-])N1	8582233	171021574	/nfs/dbraw/zinc/02/15/74/171021574.db2.gz	QODVPPGFYGRVGU-VVJJHMBFSA-N	0	3	169.213	-1.031	1	30		AAEFHN
[NH2+]=C1NC2=NC=N[C@H]2[C@H]([S-])N1	8582045	171021636	/nfs/dbraw/zinc/02/16/36/171021636.db2.gz	QODVPPGFYGRVGU-FONMRSAGSA-N	0	3	169.213	-1.031	1	30		AAEFHN