smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3[nH+]c(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1	ZINC000003650108	552401653	/nfs/dbraw/zinc/40/16/53/552401653.db2.gz	AJQHCJYTLVIYKW-BJMVGYQFSA-N	1	2	510.598	4.329	10	10		KICELO
CCOC(=O)c1c(COc2ccc([N+](=O)[O-])cc2)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c21	ZINC000022521214	553744324	/nfs/dbraw/zinc/74/43/24/553744324.db2.gz	PHPRPVUIUUGHOL-UHFFFAOYSA-N	1	2	506.353	4.372	10	10		KICELO
CC(NCC[NH+]1CCN(C(=O)CC(C)C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000096609556	553757292	/nfs/dbraw/zinc/75/72/92/553757292.db2.gz	AWFWWSPHMLUVNV-YYADALCUSA-N	1	2	530.698	4.101	10	10		KICELO
CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O	ZINC000100035286	554188275	/nfs/dbraw/zinc/18/82/75/554188275.db2.gz	MBKNHUNOXYQMQU-RQJHXWCTSA-N	1	2	581.761	4.312	10	10		KICELO
CC(NCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C	ZINC000101451239	554775606	/nfs/dbraw/zinc/77/56/06/554775606.db2.gz	GHGSCWJQAYTCRD-HAVVHWLPSA-N	1	2	538.077	4.386	10	10		KICELO