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+]1CCN(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)NN4CC[NH+](C)CC4)C3=O)SC2=S)CC1	ZINC000101002421	554552892	/nfs/dbraw/zinc/55/28/92/554552892.db2.gz	ZHTIPNAHONDPSL-ISLYRVAYSA-N	2	2	600.818	-0.744	40	10		KBCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC[NH3+])[C@@H](O)[C@@H](C)O1	ZINC000150397896	571476988	/nfs/dbraw/zinc/47/69/88/571476988.db2.gz	SYLWZCQAJMRHFL-ONZAZGFJSA-N	3	2	755.822	-0.524	40	10		KBCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC[NH3+])[C@@H](O)[C@H](C)O1	ZINC000150397898	571477014	/nfs/dbraw/zinc/47/70/14/571477014.db2.gz	SYLWZCQAJMRHFL-PROWLREQSA-N	3	2	755.822	-0.524	40	10		KBCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC[NH3+])[C@H](O)[C@@H](C)O1	ZINC000150397902	571477038	/nfs/dbraw/zinc/47/70/38/571477038.db2.gz	SYLWZCQAJMRHFL-RVXAIQIXSA-N	3	2	755.822	-0.524	40	10		KBCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC[NH3+])[C@H](O)[C@H](C)O1	ZINC000150397907	571477032	/nfs/dbraw/zinc/47/70/32/571477032.db2.gz	SYLWZCQAJMRHFL-KJFJFIDDSA-N	3	2	755.822	-0.524	40	10		KBCBLP