smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(N/C(=N/O)c2nonc2N)CC1	ZINC000003129357	173089501	/nfs/dbraw/zinc/08/95/01/173089501.db2.gz	BEDFRCZLPJFAHQ-UHFFFAOYSA-N	1	2	241.255	-1.460	40	30		BAEBLO
O=S1(=O)C[C@H]2NC(=[NH+]NCO)S[C@@H]2C1	ZINC000005613045	346283073	/nfs/dbraw/zinc/28/30/73/346283073.db2.gz	WISURBBQQKQFJA-RFZPGFLSSA-N	1	2	237.306	-1.701	40	30		BAEBLO
O=S1(=O)C[C@H]2NC(=[NH+]NCO)S[C@H]2C1	ZINC000005613050	346283070	/nfs/dbraw/zinc/28/30/70/346283070.db2.gz	WISURBBQQKQFJA-UHNVWZDZSA-N	1	2	237.306	-1.701	40	30		BAEBLO
O=S1(=O)C[C@@H]2NC(=[NH+]NCO)S[C@@H]2C1	ZINC000005613082	346283731	/nfs/dbraw/zinc/28/37/31/346283731.db2.gz	WISURBBQQKQFJA-CRCLSJGQSA-N	1	2	237.306	-1.701	40	30		BAEBLO
O=S1(=O)C[C@@H]2SC(=[NH+]NCO)N[C@H]2C1	ZINC000005613088	346283094	/nfs/dbraw/zinc/28/30/94/346283094.db2.gz	WISURBBQQKQFJA-WHFBIAKZSA-N	1	2	237.306	-1.701	40	30		BAEBLO
CC(CCn1[nH]c(=O)ccc1=O)N=NC(N)=[NH2+]	ZINC000017196465	188280927	/nfs/dbraw/zinc/28/09/27/188280927.db2.gz	MZKAJJOOGPKICS-SDQBBNPISA-N	1	2	238.251	-1.012	40	30		BAEBLO