smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1N=Nc1ccc(C(=O)Nc2ccc(NN=C3C(=O)NN=C3C)cc2)cc1	ZINC000012413083	520901357	/nfs/dbraw/zinc/90/13/57/520901357.db2.gz	DSOVEEAQOOFSLJ-UHFFFAOYSA-N	-1	2	445.443	1.486	50	30		IDEALM
C=CCOC(=O)N=C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])NC(=O)OCC=C	ZINC000036426149	518969377	/nfs/dbraw/zinc/96/93/77/518969377.db2.gz	GVBDFTCLBMDVGM-ZDUSSCGKSA-N	-1	2	442.469	1.925	50	30		IDEALM
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000014242502	569158153	/nfs/dbraw/zinc/15/81/53/569158153.db2.gz	WFPKWSWLNQTBSW-INIZCTEOSA-N	-1	2	430.505	1.709	50	30		IDEALM
COc1ccc(Cc2n[n-]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)nc2=O)cc1OC	ZINC000008404284	569463993	/nfs/dbraw/zinc/46/39/93/569463993.db2.gz	ZSZQEBFFMBNYID-KEBDBYFISA-N	-1	2	426.389	1.833	50	30		IDEALM
C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000014242501	569158238	/nfs/dbraw/zinc/15/82/38/569158238.db2.gz	WFPKWSWLNQTBSW-MRXNPFEDSA-N	-1	2	430.505	1.709	50	30		IDEALM