smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S1(=O)C[C@@H](O)[C@H](NCc2ccccc2O)C1	ZINC000228414568	656109601	/nfs/dbraw/zinc/10/96/01/656109601.db2.gz	FXNVCSXPBFIGCZ-MWLCHTKSSA-N	0	1	257.311	-0.360	10	10		CBCEMN
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNCC2)c1	ZINC000262331786	525222796	/nfs/dbraw/zinc/22/27/96/525222796.db2.gz	VUELQNAFEDTWSE-UHFFFAOYSA-N	0	1	299.352	-0.191	10	10		CBCEMN
CS(=O)(=O)NCCNCc1ccc(O)c(O)c1	ZINC000020203025	171067527	/nfs/dbraw/zinc/06/75/27/171067527.db2.gz	XBVYKHADOVLLRG-UHFFFAOYSA-N	0	1	260.315	-0.263	10	10		CBCEMN
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040459017	174269177	/nfs/dbraw/zinc/26/91/77/174269177.db2.gz	UJHZHCRWZSXGKU-UWVGGRQHSA-N	0	1	293.323	-0.556	10	10		CBCEMN
CN(CC(=O)N1CCNCC1)Cc1ccc(O)c(O)c1	ZINC000038031040	174024954	/nfs/dbraw/zinc/02/49/54/174024954.db2.gz	WYEWHHWCGGLGDD-UHFFFAOYSA-N	0	1	279.340	-0.039	10	10		CBCEMN
CC(=O)NC1=NC(=O)C(=CNc2nnc[nH]2)S1	ZINC000618254894	420497990	/nfs/dbraw/zinc/49/79/90/420497990.db2.gz	JDESCWLTYUQYJQ-DJWKRKHSSA-N	0	1	252.259	-0.177	10	10		CBCEMN
NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040459016	174269121	/nfs/dbraw/zinc/26/91/21/174269121.db2.gz	UJHZHCRWZSXGKU-VHSXEESVSA-N	0	1	293.323	-0.556	10	10		CBCEMN