smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=S)NCCNCCN(CCNC(=S)NCC=C)C(=S)NCC=C	ZINC000016138387	568829333	/nfs/dbraw/zinc/82/93/33/568829333.db2.gz	VHNMKBUEVGEQLP-UHFFFAOYSA-N	0	3	443.712	0.239	40	30		ICEBHN
CC(=N\NC(=S)NCCN1CCCC1)/C(C)=N/NC(=S)NCCN1CCCC1	ZINC000017107940	556667606	/nfs/dbraw/zinc/66/76/06/556667606.db2.gz	IGWZSNMRSXDDLG-YHARCJFQSA-N	0	3	426.660	0.858	40	30		ICEBHN
CN1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)CC1	ZINC000059489991	557826153	/nfs/dbraw/zinc/82/61/53/557826153.db2.gz	MBLMNGNAQDFIQC-UHFFFAOYSA-N	0	3	440.526	0.387	40	30		ICEBHN
CC(=N/NC(=S)NCCN1CCCC1)/C(C)=N\NC(=S)NCCN1CCCC1	ZINC000104201282	557321879	/nfs/dbraw/zinc/32/18/79/557321879.db2.gz	IGWZSNMRSXDDLG-BMJUYKDLSA-N	0	3	426.660	0.858	40	30		ICEBHN