smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036622531	401905818	/nfs/dbraw/zinc/90/58/18/401905818.db2.gz	CPSIMGDYMJLQJR-UHFFFAOYSA-N	-2	3	302.286	2.244	50	10		DECAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1O	ZINC000000073719	401687808	/nfs/dbraw/zinc/68/78/08/401687808.db2.gz	FHOIAECWBFFBMZ-UHFFFAOYSA-N	-2	3	311.290	2.030	50	10		DECAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000000073705	401687787	/nfs/dbraw/zinc/68/77/87/401687787.db2.gz	DTUDRWUOESNGLC-UHFFFAOYSA-N	-2	3	321.354	2.454	50	10		DECAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1[O-]	ZINC000000456131	401698419	/nfs/dbraw/zinc/69/84/19/401698419.db2.gz	IBMWEGORLKMDCL-UHFFFAOYSA-N	-2	3	308.315	2.410	50	10		DECAHL
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000005998596	181304268	/nfs/dbraw/zinc/30/42/68/181304268.db2.gz	WEPBGSIAWZTEJR-UHFFFAOYSA-N	-2	3	316.265	2.291	50	10	biogenic,in-vivo	DECAHL
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])ccc2[O-])C([O-])=C1	ZINC000004428463	181109258	/nfs/dbraw/zinc/10/92/58/181109258.db2.gz	NOYGQBBPVKLDQU-BUHFOSPRSA-N	-3	3	310.287	2.466	50	10		DECAHL
O=C([O-])c1cc([O-])ccc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000001233419	401704769	/nfs/dbraw/zinc/70/47/69/401704769.db2.gz	XPAJBTDFNXLVLL-UHFFFAOYSA-N	-2	3	302.242	2.251	50	10		DECAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000000207285	401690650	/nfs/dbraw/zinc/69/06/50/401690650.db2.gz	AJXPXSKUYLKYSJ-UHFFFAOYSA-N	-2	3	307.327	2.200	50	10		DECAHL
Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1	ZINC000036622475	401905852	/nfs/dbraw/zinc/90/58/52/401905852.db2.gz	KRVNHFREQLCMMA-UHFFFAOYSA-N	-2	3	302.286	2.244	50	10		DECAHL