smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1c2ccccc2S/C1=C/C(C)=C/c1sc2ccc(OC)cc2[n+]1CC	ZINC000001994329	557298913	/nfs/dbraw/zinc/29/89/13/557298913.db2.gz	FMPHRXIBXAANEJ-UHFFFAOYSA-N	1	0	409.600	6.094	10	10		HKCERO
CCC(=Cc1sc2cc(C)ccc2[n+]1CC)/C=C1/Sc2cc(C)ccc2N1CC	ZINC000003169883	557452471	/nfs/dbraw/zinc/45/24/71/557452471.db2.gz	JHTBNZZKXUTZRC-UHFFFAOYSA-N	1	0	421.655	7.093	10	10		HKCERO
CC[n+]1c(/C=C2\C=Cc3cc(C)ccc3N2CC)sc2ccc(-c3ccccc3)cc21	ZINC000005128460	132301784	/nfs/dbraw/zinc/30/17/84/132301784.db2.gz	GJDCFJGFJUWOFW-UHFFFAOYSA-N	1	0	423.605	7.078	10	10		HKCERO
CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2nc(-c3ccccc3)ns2)c(C)c1	ZINC000005139606	717098646	/nfs/dbraw/zinc/09/86/46/717098646.db2.gz	OBOPQJVCYIBVIV-OCOZRVBESA-N	1	0	409.583	5.461	10	10		HKCERO
[O-]c1c(C[NH+]2CCCCC2)cc(C23CC4CC(CC(C4)C2)C3)cc1C[NH+]1CCCCC1	ZINC000005248451	557641559	/nfs/dbraw/zinc/64/15/59/557641559.db2.gz	KOHWVONKUXEYSI-UHFFFAOYSA-N	1	0	422.657	5.832	10	10		HKCERO
CCCCC[NH+]1CCN(c2ccc(/N=N/c3cnc(OCCCC)nc3)cc2)CC1	ZINC000005250174	132304279	/nfs/dbraw/zinc/30/42/79/132304279.db2.gz	NOMNPEUTBMUPLV-CYYJNZCTSA-N	1	0	410.566	5.383	10	10		HKCERO
Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000012279688	558364913	/nfs/dbraw/zinc/36/49/13/558364913.db2.gz	CXXOKUDGPDNTDE-UHFFFAOYSA-N	1	0	411.904	5.335	10	10		HKCERO
Oc1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000015001789	568729411	/nfs/dbraw/zinc/72/94/11/568729411.db2.gz	JUEYBBGFYRJQSJ-UHFFFAOYSA-N	1	0	419.525	5.130	10	10		HKCERO
CC(C)(C)c1cccc(CN2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)c1O	ZINC000020468262	558374262	/nfs/dbraw/zinc/37/42/62/558374262.db2.gz	KCYCVTLKTKHIBN-UHFFFAOYSA-N	1	0	410.602	5.011	10	10		HKCERO
CCCCCC[N+](C)(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21	ZINC000033933643	717123515	/nfs/dbraw/zinc/12/35/15/717123515.db2.gz	RRSXTIKDEOJZEX-UDWIEESQSA-N	1	0	401.039	7.283	10	10		HKCERO
CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(C)c1	ZINC000038642663	717126343	/nfs/dbraw/zinc/12/63/43/717126343.db2.gz	VWSPYAMBHKLOGR-GHVJWSGMSA-N	1	0	404.922	5.505	10	10		HKCERO