smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nn1	ZINC000002208273	554093743	/nfs/dbraw/zinc/09/37/43/554093743.db2.gz	NGUWFLFODPEDAQ-UHFFFAOYSA-N	-1	2	465.469	1.995	50	5		JDBALM
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229877853	570041623	/nfs/dbraw/zinc/04/16/23/570041623.db2.gz	IQIGDLUTHTUYKK-RDPSFJRHSA-N	-1	2	493.476	1.265	50	5		JDBALM
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccccc4Cl)C[C@@H]32)C(=O)N1	ZINC000217688621	569881008	/nfs/dbraw/zinc/88/10/08/569881008.db2.gz	FSRWXOVENFDLJL-GOSISDBHSA-N	-1	2	469.885	1.848	50	5		JDBALM
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229877863	570041596	/nfs/dbraw/zinc/04/15/96/570041596.db2.gz	IQIGDLUTHTUYKK-GBXCKJPGSA-N	-1	2	493.476	1.265	50	5		JDBALM
Cn1c([O-])c(C(c2cccc([N+](=O)[O-])c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000013511067	555483105	/nfs/dbraw/zinc/48/31/05/555483105.db2.gz	ROZCMOBXBAYXDM-UHFFFAOYSA-N	-1	2	477.524	1.720	50	5		JDBALM