smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N=C(S)NC(=O)C1=CNCCNC=C1C(=O)NC(=S)NC1=O	ZINC000003066978	204077269	/nfs/dbraw/zinc/07/72/69/204077269.db2.gz	FLCJZBIBVRLBPG-UHFFFAOYSA-N	0	2	368.400	-3.005	50	10		FACALN
COc1ccc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)cc1	ZINC000005558825	482716928	/nfs/dbraw/zinc/71/69/28/482716928.db2.gz	KGDRYRNPXBOJKW-SDQBBNPISA-N	0	2	365.342	-1.533	50	10		FACALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)NC1=O)n(C)c(=O)n(C)c2=O	ZINC000008971048	204350937	/nfs/dbraw/zinc/35/09/37/204350937.db2.gz	ZCHXYLMDNAXYHK-UHFFFAOYSA-N	0	2	362.306	-2.023	50	10		FACALN
CCNC(=S)N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1	ZINC000019359412	482546464	/nfs/dbraw/zinc/54/64/64/482546464.db2.gz	QOXPUBUTINBRQP-UHFFFAOYSA-N	0	2	354.436	-1.662	50	10		FACALN
O=c1[nH]c(=S)[nH]c(O)c1C=CC=CC=C1C(=O)NC(=S)NC1=O	ZINC000100496246	222244708	/nfs/dbraw/zinc/24/47/08/222244708.db2.gz	LFYHUCUXVULCOB-ZPUQHVIOSA-N	0	2	350.381	-1.297	50	10		FACALN