smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000013438615	581094340	/nfs/dbraw/zinc/09/43/40/581094340.db2.gz	LXFPKJLLIWPMEU-AREMUKBSSA-N	1	1	417.597	3.787	1	30		HHEFMO
C#CC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000013438618	581094266	/nfs/dbraw/zinc/09/42/66/581094266.db2.gz	LXFPKJLLIWPMEU-SANMLTNESA-N	1	1	417.597	3.787	1	30		HHEFMO
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO	ZINC000013528204	581101752	/nfs/dbraw/zinc/10/17/52/581101752.db2.gz	UYCGYJBWLFVKGB-MDZDMXLPSA-N	1	1	419.525	3.910	1	30		HHEFMO
Cc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncc(C#N)c2Nc1ccccn1	ZINC000040940601	581092340	/nfs/dbraw/zinc/09/23/40/581092340.db2.gz	MSMXNTQZGDNYDB-UHFFFAOYSA-N	1	1	416.529	3.570	1	30		HHEFMO
Nc1c(C(=O)c2cccc(C#CC[NH+]3CCCCC3)c2)cnn1-c1ccc(F)cc1	ZINC000013683040	581098390	/nfs/dbraw/zinc/09/83/90/581098390.db2.gz	IKBMSEBMUSHLHW-UHFFFAOYSA-N	1	1	402.473	3.662	1	30		HHEFMO