smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNc1ccc2c(CN(CCO)CCO)nn3c2c1c(=O)c1c(O)cccc13	ZINC000003800746	562938242	/nfs/dbraw/zinc/93/82/42/562938242.db2.gz	GZECVGRSJOAKSP-UHFFFAOYSA-N	1	0	439.516	0.904	1	5		ICBFRO
CC[C@@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1OC(C)=O)[C@]23O	ZINC000014719153	717110908	/nfs/dbraw/zinc/11/09/08/717110908.db2.gz	GWRLEDVPQDICRQ-USJZMZEHSA-N	1	0	426.486	0.279	1	5		ICBFRO
COCCOCCOCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C	ZINC000071295445	717133064	/nfs/dbraw/zinc/13/30/64/717133064.db2.gz	MTKJMORVVRJVLB-UHFFFAOYSA-O	1	0	425.543	0.148	1	5		ICBFRO
COCCOCCOCCOCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	ZINC000071295923	563161705	/nfs/dbraw/zinc/16/17/05/563161705.db2.gz	RZUDHCUXUCAUSH-UHFFFAOYSA-N	1	0	437.554	0.244	1	5		ICBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@H](O)[C@H](O)S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235341	717182940	/nfs/dbraw/zinc/18/29/40/717182940.db2.gz	YSJRUJHYRCNLIQ-BNCXZNCZSA-N	1	0	426.536	0.546	1	5		ICBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@@H](O)[C@H](O)S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235342	717182881	/nfs/dbraw/zinc/18/28/81/717182881.db2.gz	YSJRUJHYRCNLIQ-HBLAGYNKSA-N	1	0	426.536	0.546	1	5		ICBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@H](O)[C@@H](O)S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235343	717182640	/nfs/dbraw/zinc/18/26/40/717182640.db2.gz	YSJRUJHYRCNLIQ-HMAQFJIHSA-N	1	0	426.536	0.546	1	5		ICBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@@H](O)[C@@H](O)S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235344	717182762	/nfs/dbraw/zinc/18/27/62/717182762.db2.gz	YSJRUJHYRCNLIQ-YRGHUSBHSA-N	1	0	426.536	0.546	1	5		ICBFRO
CC(C)C[NH+]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000061944476	563151060	/nfs/dbraw/zinc/15/10/60/563151060.db2.gz	UQEANGJNYLXOQG-UHFFFAOYSA-N	1	0	427.479	0.955	3	5		ICBFRO