smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2n1	ZINC000004757317	570963501	/nfs/dbraw/zinc/96/35/01/570963501.db2.gz	VMYOCYNETFFPJQ-UHFFFAOYSA-N	1	0	378.432	4.550	10	5		GJBERO
Cc1cc(C)c(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C)c1	ZINC000256030021	717174502	/nfs/dbraw/zinc/17/45/02/717174502.db2.gz	IFDKXIIXCRZFLP-XMMPIXPASA-N	1	0	382.568	4.943	10	5		GJBERO
C[N+]1(C)CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000022063359	717113209	/nfs/dbraw/zinc/11/32/09/717113209.db2.gz	IGTXPNNPQOSBJM-UHFFFAOYSA-N	1	0	388.988	4.725	10	5	in-vitro	GJBERO
Cc1cc(C)c(OC[C@@H](O)C[N+](C)(C)Cc2ccc(Cl)cc2Cl)c(C)c1	ZINC000256030632	717174612	/nfs/dbraw/zinc/17/46/12/717174612.db2.gz	QQLYINWVOVKJDL-IBGZPJMESA-N	1	0	397.366	4.935	10	5		GJBERO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)C[C@H]1CCC[N@H+]1C3	ZINC000014824781	221317919	/nfs/dbraw/zinc/31/79/19/221317919.db2.gz	SSEUDFYBEOIWGF-CQSZACIVSA-N	1	0	393.483	4.548	10	5	biogenic,in-vitro	GJBERO
C[N@@+]1(C2CCCCC2)CNc2c(Br)cc(Br)cc2C1	ZINC000248083476	717164184	/nfs/dbraw/zinc/16/41/84/717164184.db2.gz	QYVYSMCPKGWMCN-IBGZPJMESA-N	1	0	389.155	4.874	10	5		GJBERO
Cc1cc(C)c(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C)c1	ZINC000256030020	717174629	/nfs/dbraw/zinc/17/46/29/717174629.db2.gz	IFDKXIIXCRZFLP-DEOSSOPVSA-N	1	0	382.568	4.943	10	5		GJBERO
C[N+]1(C2CCCCC2)CNc2c(Br)cc(Br)cc2C1	ZINC000077286185	230952902	/nfs/dbraw/zinc/95/29/02/230952902.db2.gz	QYVYSMCPKGWMCN-UHFFFAOYSA-N	1	0	389.155	4.874	10	5	in-vitro	GJBERO
C[N@+]1(C2CCCCC2)CNc2c(Br)cc(Br)cc2C1	ZINC000248083484	717164338	/nfs/dbraw/zinc/16/43/38/717164338.db2.gz	QYVYSMCPKGWMCN-LJQANCHMSA-N	1	0	389.155	4.874	10	5		GJBERO
Cc1cc(C)c(OC[C@H](O)C[N+](C)(C)Cc2ccc(Cl)cc2Cl)c(C)c1	ZINC000256030633	717174575	/nfs/dbraw/zinc/17/45/75/717174575.db2.gz	QQLYINWVOVKJDL-LJQANCHMSA-N	1	0	397.366	4.935	10	5		GJBERO