smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NCCN3CCOCC3)CC2)cc1	ZINC000011901069	536699426	/nfs/dbraw/zinc/69/94/26/536699426.db2.gz	JDUFGXTYYPHRCJ-UHFFFAOYSA-N	1	2	419.526	-0.618	50	10		HBCALO
COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)c1	ZINC000019360644	558876114	/nfs/dbraw/zinc/87/61/14/558876114.db2.gz	IOVLFRMMZOKRQP-WYMLVPIESA-N	1	2	403.439	-0.335	50	10		HBCALO
O=C1NC(=O)C(=CNCC[NH+]2CCN(C(=S)Nc3ccccc3)CC2)C(=O)N1	ZINC000020149672	558340404	/nfs/dbraw/zinc/34/04/04/558340404.db2.gz	OHHWSMINKOYYJU-UHFFFAOYSA-N	1	2	402.480	-0.160	50	10		HBCALO
O=C(c1ccc(Cl)cc1)N1CC[NH+](CCNC=C2C(=O)NC(=O)NC2=O)CC1	ZINC000020149700	558340379	/nfs/dbraw/zinc/34/03/79/558340379.db2.gz	KTYXFFFTCZIXCD-UHFFFAOYSA-N	1	2	405.842	-0.063	50	10		HBCALO
Cc1ccc(NC(=O)CN2CC[NH+](CCNC=C3C(=O)NC(=O)NC3=O)CC2)cc1	ZINC000096024110	559089844	/nfs/dbraw/zinc/08/98/44/559089844.db2.gz	JDHKEEIDJHOXDG-UHFFFAOYSA-N	1	2	414.466	-0.609	50	10		HBCALO