smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1cccc(Cl)c1O)c1nn(-c2ccccc2)cc1[O-]	ZINC001606868166	1097464281	/nfs/dbraw/zinc/46/42/81/1097464281.db2.gz	LMIUXHNQBWACME-UHFFFAOYSA-N	-2	0	343.770	2.867	10	10		EFCERL
O=C([O-])C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000851654201	1251176285	/nfs/dbraw/zinc/17/62/85/1251176285.db2.gz	TUEKQQJODZHYGF-UHFFFAOYSA-N	-2	0	347.198	2.753	10	10		EFCERL
O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1[O-]	ZINC000775289161	1291811995	/nfs/dbraw/zinc/81/19/95/1291811995.db2.gz	SXBHYWGUKARPLM-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnn(CC2CC2)c1	ZINC000808114334	1281540935	/nfs/dbraw/zinc/54/09/35/1281540935.db2.gz	VVTOJQHOFRHBMB-UHFFFAOYSA-N	-2	0	345.783	2.592	10	10		EFCERL
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000049044407	715516854	/nfs/dbraw/zinc/51/68/54/715516854.db2.gz	VBRVWKWPLGRCHA-UHFFFAOYSA-N	-2	0	327.383	2.515	10	10		EFCERL
CCn1nccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000769862194	577389478	/nfs/dbraw/zinc/38/94/78/577389478.db2.gz	JPVJRSIGBFMRPS-UHFFFAOYSA-N	-2	0	336.200	2.716	10	10		EFCERL
Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c2n[nH]cc21	ZINC000821168853	1277475460	/nfs/dbraw/zinc/47/54/60/1277475460.db2.gz	LYWXHUVABSGQSD-UHFFFAOYSA-N	-2	0	339.323	2.656	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1[O-]	ZINC000133745620	713274187	/nfs/dbraw/zinc/27/41/87/713274187.db2.gz	MWNFJJBIAXDVKR-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000814211859	1286403815	/nfs/dbraw/zinc/40/38/15/1286403815.db2.gz	SUEAPWWUAHAODE-UHFFFAOYSA-N	-2	0	328.371	2.780	10	10		EFCERL
O=S(=O)([O-])c1cccc(/N=N/c2cccc(S(=O)(=O)[O-])c2)c1	ZINC000148727753	473321177	/nfs/dbraw/zinc/32/11/77/473321177.db2.gz	JMOANIMCGMAFKG-BUHFOSPRSA-N	-2	0	342.354	2.595	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1[O-]	ZINC000133741423	713183371	/nfs/dbraw/zinc/18/33/71/713183371.db2.gz	AOBVTCAXSATDOJ-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753017606	725531688	/nfs/dbraw/zinc/53/16/88/725531688.db2.gz	MSVAIUFKWIZJLX-UHFFFAOYSA-N	-2	0	329.324	2.870	10	10		EFCERL
COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753020521	1288976080	/nfs/dbraw/zinc/97/60/80/1288976080.db2.gz	SFEHNWLSEGWEDE-UHFFFAOYSA-N	-2	0	333.287	2.619	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1[O-]	ZINC000133736327	713179462	/nfs/dbraw/zinc/17/94/62/713179462.db2.gz	FETURNAFVTVBAP-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
CCc1cc(P(=O)([O-])[O-])c([S-])c(-c2ccccc2)c1[N+](=O)[O-]	ZINC000221265630	474160274	/nfs/dbraw/zinc/16/02/74/474160274.db2.gz	ANZBXPDCAOLKNN-NSHDSACASA-N	-3	0	339.309	2.941	10	10		EFCERL
CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)C1CC1	ZINC000863411262	1302603921	/nfs/dbraw/zinc/60/39/21/1302603921.db2.gz	VVZJERIYQNYTKZ-CYBMUJFWSA-N	-2	0	337.800	2.742	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1[O-]	ZINC000133733340	713115455	/nfs/dbraw/zinc/11/54/55/713115455.db2.gz	AGMREVUPKOODJI-UHFFFAOYSA-N	-2	0	334.762	2.816	10	10		EFCERL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1O	ZINC000766370083	577140880	/nfs/dbraw/zinc/14/08/80/577140880.db2.gz	VBPXHDIOXZIHHM-UHFFFAOYSA-N	-2	0	345.735	2.684	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1[O-]	ZINC000133731018	713117783	/nfs/dbraw/zinc/11/77/83/713117783.db2.gz	VWUZFIPXVIRLPF-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000187045662	720493838	/nfs/dbraw/zinc/49/38/38/720493838.db2.gz	HKTUGHLCIIPYRG-UHFFFAOYSA-N	-2	0	326.305	2.549	10	10		EFCERL
CCc1cc(P(=O)([O-])[O-])c([S-])c(-c2ccccc2)c1[N+](=O)[O-]	ZINC000221265685	474159393	/nfs/dbraw/zinc/15/93/93/474159393.db2.gz	ANZBXPDCAOLKNN-LLVKDONJSA-N	-3	0	339.309	2.941	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1[O-]	ZINC000133737436	472835750	/nfs/dbraw/zinc/83/57/50/472835750.db2.gz	LCWFPYAMCJAFDA-UHFFFAOYSA-N	-2	0	328.733	2.755	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1[O-]	ZINC000790067585	1277229460	/nfs/dbraw/zinc/22/94/60/1277229460.db2.gz	HBISWXWOPZKJTH-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1[O-]	ZINC000133758931	713306124	/nfs/dbraw/zinc/30/61/24/713306124.db2.gz	IFLNRDPONLOXPN-UHFFFAOYSA-N	-2	0	346.723	2.894	10	10		EFCERL
Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000758161408	575861530	/nfs/dbraw/zinc/86/15/30/575861530.db2.gz	FENQBHNFWKREHY-UHFFFAOYSA-N	-2	0	348.211	2.785	10	10		EFCERL
CCO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)C1CC1	ZINC000863411263	1302603496	/nfs/dbraw/zinc/60/34/96/1302603496.db2.gz	VVZJERIYQNYTKZ-ZDUSSCGKSA-N	-2	0	337.800	2.742	10	10		EFCERL