smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000095587583	185381682	/nfs/dbraw/zinc/38/16/82/185381682.db2.gz	FEXFJUAVGJIUNQ-UHFFFAOYSA-O	1	0	312.345	2.079	1	10		DECFRO
C[NH2+]C[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1	ZINC000040880433	183146012	/nfs/dbraw/zinc/14/60/12/183146012.db2.gz	WGKLCHBGQMKIIW-MSOLQXFVSA-N	1	0	300.402	2.453	1	10		DECFRO
C[NH+](C)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000072176245	191070529	/nfs/dbraw/zinc/07/05/29/191070529.db2.gz	QDTLZWKQGGAWMR-XFXZXTDPSA-N	1	0	308.428	2.155	1	10		DECFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(O)c(O)c2c1CCCC2	ZINC000169319525	197740520	/nfs/dbraw/zinc/74/05/20/197740520.db2.gz	BCIUHQBLEFNVQW-LLVKDONJSA-N	1	0	309.406	2.104	1	10		DECFRO
N=C(NC(N)=[NH2+])Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000020459046	182220080	/nfs/dbraw/zinc/22/00/80/182220080.db2.gz	HAJLUVJLYDPZOH-UHFFFAOYSA-N	1	0	315.764	2.401	1	10		DECFRO
[NH3+]CCCCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005939645	181298520	/nfs/dbraw/zinc/29/85/20/181298520.db2.gz	LNTVMYGYFWLQSS-UHFFFAOYSA-N	1	0	311.337	2.155	1	10		DECFRO
C[NH2+]CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3	ZINC000013589937	181866289	/nfs/dbraw/zinc/86/62/89/181866289.db2.gz	SPGVCDNPEZGOIZ-UHFFFAOYSA-N	1	0	304.353	2.473	1	10		DECFRO