smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(N3CCCC3)c(F)c2)o1	ZINC000036740261	205022275	/nfs/dbraw/zinc/02/22/75/205022275.db2.gz	XDLDVYGKYWDOIE-UHFFFAOYSA-N	2	2	396.510	4.616	40	10		GJCBLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(N3CCCC3)c(F)c2)o1	ZINC000036740261	205022279	/nfs/dbraw/zinc/02/22/79/205022279.db2.gz	XDLDVYGKYWDOIE-UHFFFAOYSA-N	2	2	396.510	4.616	40	10		GJCBLP
Nc1ccc(/N=N/c2cccc3c(/N=N/c4ccc(N)[nH+]c4N)cccc23)c(N)[nH+]1	ZINC000018144234	210214981	/nfs/dbraw/zinc/21/49/81/210214981.db2.gz	BKITVKZRQCDHKO-QAVVBOBSSA-N	2	2	398.434	4.789	40	10		GJCBLP
COc1ccc(C[NH2+]C2(c3ccccc3OC)CCCC2)cc1Cn1cc[nH+]c1	ZINC000012116976	570611738	/nfs/dbraw/zinc/61/17/38/570611738.db2.gz	UUARPIQOAGNJCR-UHFFFAOYSA-N	2	2	391.515	4.508	40	10		GJCBLP
Nc1ccc(/N=N/c2cccc3c(/N=N\c4ccc(N)[nH+]c4N)cccc23)c(N)[nH+]1	ZINC000104231108	570299885	/nfs/dbraw/zinc/29/98/85/570299885.db2.gz	BKITVKZRQCDHKO-JOKXDOCYSA-N	2	2	398.434	4.789	40	10		GJCBLP
Nc1ccc(/N=N\c2cccc3c(/N=N\c4ccc(N)[nH+]c4N)cccc23)c(N)[nH+]1	ZINC000104231103	570299863	/nfs/dbraw/zinc/29/98/63/570299863.db2.gz	BKITVKZRQCDHKO-ZUELCTOOSA-N	2	2	398.434	4.789	40	10		GJCBLP