smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631229	568838819	/nfs/dbraw/zinc/83/88/19/568838819.db2.gz	IHVRJTCVMKJNRP-IAGOWNOFSA-N	0	2	445.476	0.188	10	0		ICAELN
CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631229	568838818	/nfs/dbraw/zinc/83/88/18/568838818.db2.gz	IHVRJTCVMKJNRP-IAGOWNOFSA-N	0	2	445.476	0.188	10	0		ICAELN
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631232	568838809	/nfs/dbraw/zinc/83/88/09/568838809.db2.gz	IHVRJTCVMKJNRP-SJORKVTESA-N	0	2	445.476	0.188	10	0		ICAELN
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631232	568838808	/nfs/dbraw/zinc/83/88/08/568838808.db2.gz	IHVRJTCVMKJNRP-SJORKVTESA-N	0	2	445.476	0.188	10	0		ICAELN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631233	568838814	/nfs/dbraw/zinc/83/88/14/568838814.db2.gz	IHVRJTCVMKJNRP-DLBZAZTESA-N	0	2	445.476	0.188	10	0		ICAELN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631233	568838813	/nfs/dbraw/zinc/83/88/13/568838813.db2.gz	IHVRJTCVMKJNRP-DLBZAZTESA-N	0	2	445.476	0.188	10	0		ICAELN
CCS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)NCCOC)CC2)cc1C(=O)[O-]	ZINC000033259910	556899090	/nfs/dbraw/zinc/89/90/90/556899090.db2.gz	KJKMSIBAJOSXQR-UHFFFAOYSA-N	0	2	428.511	0.031	10	0		ICAELN
Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(OCC(=O)[O-])c1CCO	ZINC000073709402	526969294	/nfs/dbraw/zinc/96/92/94/526969294.db2.gz	UOZLWBUCNZUINY-UHFFFAOYSA-N	0	2	430.461	0.834	10	0		ICAELN