smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCc2ccccc2C1	ZINC000217568903	569880300	/nfs/dbraw/zinc/88/03/00/569880300.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	2	2	472.589	2.430	40	70		JEIBLP
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCc2ccccc2C1	ZINC000217568903	569880301	/nfs/dbraw/zinc/88/03/01/569880301.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	2	2	472.589	2.430	40	70		JEIBLP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@@H+]1CCc2ccccc2C1	ZINC000217568903	569880302	/nfs/dbraw/zinc/88/03/02/569880302.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	2	2	472.589	2.430	40	70		JEIBLP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@H+]1CCc2ccccc2C1	ZINC000217568903	569880303	/nfs/dbraw/zinc/88/03/03/569880303.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	2	2	472.589	2.430	40	70		JEIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300452	563169338	/nfs/dbraw/zinc/16/93/38/563169338.db2.gz	QADXPABWHTZYHG-UHFFFAOYSA-N	2	2	482.925	2.201	40	70		JEIBLP