smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)cc(Cl)c12	ZINC000002042278	210227969	/nfs/dbraw/zinc/22/79/69/210227969.db2.gz	HKRWSMQLFBBOGZ-CYBMUJFWSA-N	2	2	354.325	5.464	10	0		FKAELP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cc(Cl)ccc1OCC	ZINC000013733664	220090481	/nfs/dbraw/zinc/09/04/81/220090481.db2.gz	RATNPAPCKGPOLT-UHFFFAOYSA-N	2	2	354.966	5.121	10	0		FKAELP
CCCC[NH+](CCCC)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1	ZINC000013733824	220091036	/nfs/dbraw/zinc/09/10/36/220091036.db2.gz	SQLLCBLOQVJYOY-UHFFFAOYSA-N	2	2	360.517	5.468	10	0		FKAELP
CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1	ZINC000013734600	211057080	/nfs/dbraw/zinc/05/70/80/211057080.db2.gz	MEXBGDROTYLNRW-UHFFFAOYSA-N	2	2	374.956	5.049	10	0		FKAELP
CCCC[NH+](CCCC)CCCn1c2cc(Cl)ccc2[nH+]c1C(C)C	ZINC000040406435	208252740	/nfs/dbraw/zinc/25/27/40/208252740.db2.gz	AMYYEWRREZNHPD-UHFFFAOYSA-N	2	2	363.977	6.105	10	0		FKAELP
c1ccc(C[N@@H+]2CCC3(C[NH+](Cc4ccc(-c5ccccc5)cc4)C3)C2)cc1	ZINC000063526896	221141384	/nfs/dbraw/zinc/14/13/84/221141384.db2.gz	OSBWAVSRYUEJDP-UHFFFAOYSA-N	2	2	368.524	5.062	10	0		FKAELP
c1ccc(C[N@H+]2CCC3(C[NH+](Cc4ccc(-c5ccccc5)cc4)C3)C2)cc1	ZINC000063526896	221141382	/nfs/dbraw/zinc/14/13/82/221141382.db2.gz	OSBWAVSRYUEJDP-UHFFFAOYSA-N	2	2	368.524	5.062	10	0		FKAELP