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)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012632	1066286536	/nfs/dbraw/zinc/28/65/36/1066286536.db2.gz	FDGCMTAKGVLJGO-BIYDSLDMSA-N	-2	1	747.722	0.522	40	5		KCBBML
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012633	1066286744	/nfs/dbraw/zinc/28/67/44/1066286744.db2.gz	FDGCMTAKGVLJGO-HPQIJTKRSA-N	-2	1	747.722	0.522	40	5		KCBBML
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012634	1066286694	/nfs/dbraw/zinc/28/66/94/1066286694.db2.gz	FDGCMTAKGVLJGO-ZZXHUEHTSA-N	-2	1	747.722	0.522	40	5		KCBBML
C[C@H](O[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])O[P@](=O)([O-])O)c1ccccc1[N+](=O)[O-]	ZINC001570001172	1066290924	/nfs/dbraw/zinc/29/09/24/1066290924.db2.gz	AZMCJDSNKNSXHV-RTBLKEODSA-N	-2	1	672.330	0.770	40	5		KCBBML
C[C@H](O[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])O[P@@](=O)([O-])O)c1ccccc1[N+](=O)[O-]	ZINC001570001172	1066290914	/nfs/dbraw/zinc/29/09/14/1066290914.db2.gz	AZMCJDSNKNSXHV-RTBLKEODSA-N	-2	1	672.330	0.770	40	5		KCBBML
C[C@H](O[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])O[P@](=O)([O-])O)c1ccccc1[N+](=O)[O-]	ZINC001570001173	1066290791	/nfs/dbraw/zinc/29/07/91/1066290791.db2.gz	AZMCJDSNKNSXHV-SFKHOTKRSA-N	-2	1	672.330	0.770	40	5		KCBBML
C[C@H](O[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])O[P@@](=O)([O-])O)c1ccccc1[N+](=O)[O-]	ZINC001570001173	1066290777	/nfs/dbraw/zinc/29/07/77/1066290777.db2.gz	AZMCJDSNKNSXHV-SFKHOTKRSA-N	-2	1	672.330	0.770	40	5		KCBBML