smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000013526072	221271454	/nfs/dbraw/zinc/27/14/54/221271454.db2.gz	FOGVEVTZPZCRAO-WOPDTQHZSA-N	1	0	396.473	-1.154	1	30		GAEFRO
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000013526075	581095654	/nfs/dbraw/zinc/09/56/54/581095654.db2.gz	FOGVEVTZPZCRAO-UTUOFQBUSA-N	1	0	396.473	-1.154	1	30		GAEFRO
CN(C(=O)C[C@@H](N)c1csc(CC[NH3+])n1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026579837	207316259	/nfs/dbraw/zinc/31/62/59/207316259.db2.gz	BRPJJSBFIUYKTA-VXNVDRBHSA-N	1	0	382.450	-1.780	1	30		GAEFRO
COc1ccc(S(=O)(=O)N2CCCN(C(=O)C[NH3+])C[C@@H]2C(=O)NO)cc1	ZINC000026648550	204846924	/nfs/dbraw/zinc/84/69/24/204846924.db2.gz	IVDMXEGLZLKBRS-CYBMUJFWSA-N	1	0	386.430	-1.249	1	30		GAEFRO
CC(C)(C)[N+](=O)C=C1C=C[C@@H](C(=O)NC[C@H](O)NC(CO)(CO)CO)CC1	ZINC000028710951	207346451	/nfs/dbraw/zinc/34/64/51/207346451.db2.gz	QIMPYFNVTVKJHQ-TWBYXGPFSA-N	1	0	385.461	-1.392	1	30		GAEFRO
CSCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)NO	ZINC000045354455	205095445	/nfs/dbraw/zinc/09/54/45/205095445.db2.gz	CTBIUPZNGPOIFP-IUCAKERBSA-N	1	0	379.443	-1.467	1	30		GAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(N)=O	ZINC000048998713	205124370	/nfs/dbraw/zinc/12/43/70/205124370.db2.gz	RBVBDWKWZZJKAS-STQMWFEESA-N	1	0	394.501	-1.123	1	30		GAEFRO
C[n+]1cccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)c1	ZINC000095589770	212067855	/nfs/dbraw/zinc/06/78/55/212067855.db2.gz	RQHFQOIZKOMFHO-OWVAZHOYSA-O	1	0	390.372	-3.267	1	30		GAEFRO
C[n+]1ccccc1C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000095589911	212069038	/nfs/dbraw/zinc/06/90/38/212069038.db2.gz	HMIPKWBZZKZXHV-OWVAZHOYSA-O	1	0	390.372	-3.267	1	30		GAEFRO