smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(Cl)c1[S-]	38338827	571844160	/nfs/dbraw/zinc/84/41/60/571844160.db2.gz	CKVPGKFNEHLOFL-UHFFFAOYSA-N	-1	0	189.623	2.537	10	5		AFBERM
O=[N+]([O-])c1cc(Cl)ccc1[S-]	39423717	571930837	/nfs/dbraw/zinc/93/08/37/571930837.db2.gz	YAESYRWEEVNLOA-UHFFFAOYSA-N	-1	0	189.623	2.537	10	5		AFBERM
CC(C)(C)c1cc([O-])ccc1[N+](=O)[O-]	19801477	166384047	/nfs/dbraw/zinc/38/40/47/166384047.db2.gz	MVPHMJZSIXHKOP-UHFFFAOYSA-N	-1	0	195.218	2.598	10	5		AFBERM
Cc1cc(C)c([N+](=O)[O-])cc1[S-]	217561249	344403512	/nfs/dbraw/zinc/40/35/12/344403512.db2.gz	WOQPZZOJPZTVDG-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1ccc([N+](=O)[O-])c(C)c1[S-]	238504776	344809828	/nfs/dbraw/zinc/80/98/28/344809828.db2.gz	IYAHOAUCVRFZPF-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
O=[N+]([O-])c1ccc2sccc2c1[O-]	59481473	343345102	/nfs/dbraw/zinc/34/51/02/343345102.db2.gz	GVNRBPUZSYMYOM-UHFFFAOYSA-N	-1	0	195.199	2.515	10	5		AFBERM
Cc1cc([N+](=O)[O-])cc(C)c1[S-]	143597251	344020485	/nfs/dbraw/zinc/02/04/85/344020485.db2.gz	USTDKCWRXKJOAD-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc([N+](=O)[O-])c(C)cc1[S-]	215526096	344389779	/nfs/dbraw/zinc/38/97/79/344389779.db2.gz	QPAZSCKXSOWDIZ-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1ccc([N+](=O)[O-])c([S-])c1C	238505144	344810055	/nfs/dbraw/zinc/81/00/55/344810055.db2.gz	WJSNXXLHMSTSIR-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc([N+](=O)[O-])cc([S-])c1C	238552952	344812525	/nfs/dbraw/zinc/81/25/25/344812525.db2.gz	LQYQZTVLNYEBEC-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1c([S-])ccc([N+](=O)[O-])c1C	238550676	344812606	/nfs/dbraw/zinc/81/26/06/344812606.db2.gz	DKJIOUCLDFWYHB-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1ccc([S-])c(C)c1[N+](=O)[O-]	306538275	345411630	/nfs/dbraw/zinc/41/16/30/345411630.db2.gz	JNCDSOSQJLLYPN-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1ccc(C)c([N+](=O)[O-])c1[S-]	306560954	345436529	/nfs/dbraw/zinc/43/65/29/345436529.db2.gz	SCMCBPCAMLKDAH-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1ccc([S-])c([N+](=O)[O-])c1C	307066103	345789632	/nfs/dbraw/zinc/78/96/32/345789632.db2.gz	VEUIAVCTFAZNJF-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc([S-])cc([N+](=O)[O-])c1C	307093296	345806030	/nfs/dbraw/zinc/80/60/30/345806030.db2.gz	CZCBIXHKZLBCIC-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc([S-])c([N+](=O)[O-])cc1C	307229818	345906950	/nfs/dbraw/zinc/90/69/50/345906950.db2.gz	ALUYMSZCKITDOF-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc([S-])c(C)c([N+](=O)[O-])c1	307557967	346111658	/nfs/dbraw/zinc/11/16/58/346111658.db2.gz	LVMMYINABLURFF-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc(C)c([N+](=O)[O-])c([S-])c1	307561764	346113730	/nfs/dbraw/zinc/11/37/30/346113730.db2.gz	TZHNAVYUBSHEEK-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
Cc1cc(C)c([S-])c([N+](=O)[O-])c1	307581119	346126812	/nfs/dbraw/zinc/12/68/12/346126812.db2.gz	BUOOUOOAJGDBRS-UHFFFAOYSA-N	-1	0	183.232	2.500	10	5		AFBERM
CCCCc1ccc([O-])c([N+](=O)[O-])c1	31351471	521286616	/nfs/dbraw/zinc/28/66/16/521286616.db2.gz	YNCKBAUMTMYXSC-UHFFFAOYSA-N	-1	0	195.218	2.643	10	5		AFBERM