smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753023051	577780299	/nfs/dbraw/zinc/78/02/99/577780299.db2.gz	ZTFSQRUWDZGOTC-UHFFFAOYSA-N	-2	1	343.307	2.258	10	10		EECEML
O=C([O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F	ZINC000756390281	577843163	/nfs/dbraw/zinc/84/31/63/577843163.db2.gz	VETMXXDWTLPKLB-AWEZNQCLSA-N	-2	1	338.266	2.494	10	10		EECEML
O=C(NCc1cccc(Cl)c1[O-])c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001606868879	1351368677	/nfs/dbraw/zinc/36/86/77/1351368677.db2.gz	SDQITEVGYQMUEH-UHFFFAOYSA-N	-2	1	345.742	2.319	10	10		EECEML
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-]	ZINC000753017722	577780197	/nfs/dbraw/zinc/78/01/97/577780197.db2.gz	NIPGFTBXZLDRQD-UHFFFAOYSA-N	-2	1	343.307	2.242	10	10		EECEML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1O	ZINC000326014669	796563518	/nfs/dbraw/zinc/56/35/18/796563518.db2.gz	NERDQFJGESMRKL-UHFFFAOYSA-N	-2	1	344.348	2.439	10	10		EECEML
C[S@](=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000821179293	786646776	/nfs/dbraw/zinc/64/67/76/786646776.db2.gz	ZGALAHUGZNWHAF-NRFANRHFSA-N	-2	1	347.364	2.209	10	10		EECEML
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753018474	577780167	/nfs/dbraw/zinc/78/01/67/577780167.db2.gz	WYFFJJOKEPWZDT-UHFFFAOYSA-N	-3	1	343.307	2.098	10	10		EECEML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753017018	577780184	/nfs/dbraw/zinc/78/01/84/577780184.db2.gz	RTRCUPVJRFKYPU-UHFFFAOYSA-N	-3	1	347.270	2.309	10	10		EECEML
Cc1c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cccc1C(=O)[O-]	ZINC000753019927	577780269	/nfs/dbraw/zinc/78/02/69/577780269.db2.gz	ZOIMBIJTHHJTCS-UHFFFAOYSA-N	-3	1	343.307	2.478	10	10		EECEML
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753014675	577780104	/nfs/dbraw/zinc/78/01/04/577780104.db2.gz	CIWFXBWXWLGWIW-UHFFFAOYSA-N	-2	1	342.323	2.430	10	10		EECEML
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1F	ZINC000787319500	807086676	/nfs/dbraw/zinc/08/66/76/807086676.db2.gz	SKEHQBVYPLYGEL-UHFFFAOYSA-N	-2	1	341.316	2.039	10	10		EECEML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000391847018	1253654462	/nfs/dbraw/zinc/65/44/62/1253654462.db2.gz	PDGDACFEDIRGRX-UHFFFAOYSA-N	-2	1	332.337	2.071	10	10		EECEML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1[O-]	ZINC000821198216	786632813	/nfs/dbraw/zinc/63/28/13/786632813.db2.gz	LINODUWIRBHBOC-UHFFFAOYSA-N	-3	1	344.732	2.460	10	10		EECEML
COCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000776433042	577459764	/nfs/dbraw/zinc/45/97/64/577459764.db2.gz	KFVRKYPEDSCKNH-UHFFFAOYSA-N	-2	1	337.353	2.038	10	10		EECEML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000324659145	797530973	/nfs/dbraw/zinc/53/09/73/797530973.db2.gz	CGBOYCAFGXJESY-UHFFFAOYSA-N	-2	1	344.348	2.439	10	10		EECEML
Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c(C(=O)[O-])c1	ZINC000753015530	577780189	/nfs/dbraw/zinc/78/01/89/577780189.db2.gz	NNGIDDYUDYOQNL-UHFFFAOYSA-N	-3	1	343.307	2.478	10	10		EECEML
O=S(=O)([N-]c1ccc2nccnc2c1)c1cc(F)cc(F)c1[O-]	ZINC000753020232	577780227	/nfs/dbraw/zinc/78/02/27/577780227.db2.gz	PJRCEEORVDCORT-UHFFFAOYSA-N	-2	1	337.307	2.414	10	10		EECEML
COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1OC	ZINC000753014771	577780079	/nfs/dbraw/zinc/78/00/79/577780079.db2.gz	DHCWPTJGMSDALR-UHFFFAOYSA-N	-2	1	345.323	2.488	10	10		EECEML
COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434452	577459851	/nfs/dbraw/zinc/45/98/51/577459851.db2.gz	GIRCWDBDTAQQAH-UHFFFAOYSA-N	-2	1	337.353	2.038	10	10		EECEML
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821197695	786632789	/nfs/dbraw/zinc/63/27/89/786632789.db2.gz	GURPPBFAOPEXOA-UHFFFAOYSA-N	-2	1	339.270	2.440	10	10		EECEML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1F	ZINC000753016289	577780200	/nfs/dbraw/zinc/78/02/00/577780200.db2.gz	HBFWXIAQIKSSHG-UHFFFAOYSA-N	-3	1	347.270	2.309	10	10		EECEML
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753017733	577780179	/nfs/dbraw/zinc/78/01/79/577780179.db2.gz	NLROEXVBQNNQDJ-UHFFFAOYSA-N	-2	1	343.307	2.258	10	10		EECEML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnc2n1CCC2	ZINC000808115221	812462682	/nfs/dbraw/zinc/46/26/82/812462682.db2.gz	TVCUVGFISQMDPT-UHFFFAOYSA-N	-2	1	331.756	2.128	10	10		EECEML
COCc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286036	577434171	/nfs/dbraw/zinc/43/41/71/577434171.db2.gz	KSOUPQSSNKDDAQ-UHFFFAOYSA-N	-2	1	338.341	2.248	10	10		EECEML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1[O-]	ZINC000133751810	1202235134	/nfs/dbraw/zinc/23/51/34/1202235134.db2.gz	UQYWIWJVLIGNGE-UHFFFAOYSA-N	-2	1	330.268	2.379	10	10		EECEML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289131	577434227	/nfs/dbraw/zinc/43/42/27/577434227.db2.gz	RWSCSKHNUSODIZ-UHFFFAOYSA-N	-2	1	336.325	2.304	10	10		EECEML
O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-]	ZINC000753014427	577780060	/nfs/dbraw/zinc/78/00/60/577780060.db2.gz	JMVIYDZOGSNGIG-UHFFFAOYSA-N	-2	1	327.308	2.406	10	10		EECEML
C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000821179295	786646359	/nfs/dbraw/zinc/64/63/59/786646359.db2.gz	ZGALAHUGZNWHAF-OAQYLSRUSA-N	-2	1	347.364	2.209	10	10		EECEML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1O	ZINC000797820430	1304845495	/nfs/dbraw/zinc/84/54/95/1304845495.db2.gz	XMRCBZDASRAAMC-UHFFFAOYSA-N	-2	1	343.382	2.270	10	10		EECEML
O=C([O-])[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F	ZINC000756390284	577843213	/nfs/dbraw/zinc/84/32/13/577843213.db2.gz	VETMXXDWTLPKLB-CQSZACIVSA-N	-2	1	338.266	2.494	10	10		EECEML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1O	ZINC000392179355	1253700749	/nfs/dbraw/zinc/70/07/49/1253700749.db2.gz	XYZMUHRXSIZIEO-UHFFFAOYSA-N	-2	1	344.348	2.439	10	10		EECEML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cnn(CC2CC2)c1	ZINC000777648358	577484053	/nfs/dbraw/zinc/48/40/53/577484053.db2.gz	PPQUGCZWGXDTOY-UHFFFAOYSA-N	-2	1	327.793	2.453	10	10		EECEML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753016170	576611700	/nfs/dbraw/zinc/61/17/00/576611700.db2.gz	GQBDUCDEEIXDQJ-UHFFFAOYSA-N	-3	1	347.270	2.309	10	10		EECEML
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775286454	577434126	/nfs/dbraw/zinc/43/41/26/577434126.db2.gz	SGBDXZOFSWQXBM-UHFFFAOYSA-N	-2	1	336.325	2.304	10	10		EECEML
CCOc1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000799924736	1305507662	/nfs/dbraw/zinc/50/76/62/1305507662.db2.gz	HLAKDEOORHEQKW-UHFFFAOYSA-N	-2	1	338.341	2.500	10	10		EECEML
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000821118983	786605980	/nfs/dbraw/zinc/60/59/80/786605980.db2.gz	KAZUGHOLPPTXLA-UHFFFAOYSA-N	-2	1	342.323	2.430	10	10		EECEML
O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1[O-]	ZINC000821197466	786632750	/nfs/dbraw/zinc/63/27/50/786632750.db2.gz	BHDGPVZVFLYVIJ-UHFFFAOYSA-N	-2	1	346.267	2.085	10	10		EECEML
COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc(OC)c1	ZINC000753015989	577780176	/nfs/dbraw/zinc/78/01/76/577780176.db2.gz	HUVRSEMXUNZWEH-UHFFFAOYSA-N	-2	1	345.323	2.488	10	10		EECEML
COCn1nc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1C	ZINC000818047602	785189124	/nfs/dbraw/zinc/18/91/24/785189124.db2.gz	HLCAJNVDCRMZIU-UHFFFAOYSA-N	-2	1	345.808	2.264	10	10		EECEML
Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1C(=O)[O-]	ZINC000753018286	577780170	/nfs/dbraw/zinc/78/01/70/577780170.db2.gz	VFDBZSVOGQGSJF-UHFFFAOYSA-N	-3	1	343.307	2.478	10	10		EECEML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753023036	577780347	/nfs/dbraw/zinc/78/03/47/577780347.db2.gz	ZSMQTXALJGHYSU-UHFFFAOYSA-N	-3	1	329.280	2.169	10	10		EECEML