smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1nccc1[N-]S(=O)(=O)c1sccc1OC	ZINC000159557446	402325909	/nfs/dbraw/zinc/32/59/09/402325909.db2.gz	CVAHJJWVTSIZDJ-UHFFFAOYSA-N	-1	0	301.393	2.164	10	70		DEIERM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1	ZINC000160641844	402355143	/nfs/dbraw/zinc/35/51/43/402355143.db2.gz	VQAVOIGRYAWDIJ-UHFFFAOYSA-N	-1	0	317.802	2.029	10	70		DEIERM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(N)c(C)cc1C	ZINC000159638182	186132309	/nfs/dbraw/zinc/13/23/09/186132309.db2.gz	XQYNKPIYTTWFPL-UHFFFAOYSA-N	-1	0	308.407	2.037	10	70		DEIERM
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000159670987	186133995	/nfs/dbraw/zinc/13/39/95/186133995.db2.gz	LQYGNMIZCWWNTM-UHFFFAOYSA-N	-1	0	316.760	2.171	10	70		DEIERM
COc1cc([N-]S(=O)(=O)c2c(N)cccc2F)ccc1F	ZINC000159803894	197365242	/nfs/dbraw/zinc/36/52/42/197365242.db2.gz	XYYWJPMRJFTILP-UHFFFAOYSA-N	-1	0	314.313	2.356	10	70		DEIERM
Cc1cc(N)cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1F	ZINC000159516842	197360300	/nfs/dbraw/zinc/36/03/00/197360300.db2.gz	AMVYFXCMPUGYIQ-UHFFFAOYSA-N	-1	0	312.370	2.295	10	70		DEIERM
C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)C(=O)OC(C)(C)C	ZINC000160108147	197386518	/nfs/dbraw/zinc/38/65/18/197386518.db2.gz	KAUQORJTDNUDKJ-SSDOTTSWSA-N	-1	0	301.289	2.130	10	70		DEIERM
Cc1cc(N)cc(S(=O)(=O)[N-]c2ccnn2C(C)C)c1F	ZINC000159455894	197355011	/nfs/dbraw/zinc/35/50/11/197355011.db2.gz	VNPMLMKYUPQNKY-UHFFFAOYSA-N	-1	0	312.370	2.295	10	70		DEIERM
CCc1oc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1C	ZINC000159619205	186131229	/nfs/dbraw/zinc/13/12/29/186131229.db2.gz	QZKVHLJBELVJHX-UHFFFAOYSA-N	-1	0	319.361	2.050	10	70		DEIERM
NN=c1[n-]nc(COc2c(F)c(F)c(F)c(F)c2F)s1	ZINC000159705121	186136971	/nfs/dbraw/zinc/13/69/71/186136971.db2.gz	CWYSEANWZBPMEG-UHFFFAOYSA-N	-1	0	312.223	2.098	10	70		DEIERM
CCn1cc(S(=O)(=O)[N-]c2cc(N)c(C)cc2C)nc1C	ZINC000159641893	186132625	/nfs/dbraw/zinc/13/26/25/186132625.db2.gz	WILCDXZQPMZVKN-UHFFFAOYSA-N	-1	0	308.407	2.211	10	70		DEIERM
Cc1nc(C(F)(F)F)c(C(=O)c2ccccc2[O-])cc1C(N)=O	ZINC000217011288	402290549	/nfs/dbraw/zinc/29/05/49/402290549.db2.gz	NRHPVUCPGGURNQ-UHFFFAOYSA-N	-1	0	324.258	2.444	10	70		DEIERM
C[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(N)=O	ZINC000160101443	197386025	/nfs/dbraw/zinc/38/60/25/197386025.db2.gz	SLWQSSKUVOPDMZ-VIFPVBQESA-N	-1	0	318.760	2.316	10	70		DEIERM
COc1cc([N-]S(=O)(=O)c2cc(N)ccc2F)ccc1F	ZINC000159793529	197364711	/nfs/dbraw/zinc/36/47/11/197364711.db2.gz	QJZSEAMIIHZABI-UHFFFAOYSA-N	-1	0	314.313	2.356	10	70		DEIERM
COc1cc([N-]S(=O)(=O)c2ccc(N)cc2F)ccc1F	ZINC000159794706	197365558	/nfs/dbraw/zinc/36/55/58/197365558.db2.gz	BQBBAARWNDBWHJ-UHFFFAOYSA-N	-1	0	314.313	2.356	10	70		DEIERM
CCCCS(=O)(=O)[N-]c1nc(CCCC(=O)OC)cs1	ZINC000160039754	197381661	/nfs/dbraw/zinc/38/16/61/197381661.db2.gz	SZNJEZPQSWHDJA-UHFFFAOYSA-N	-1	0	320.436	2.181	10	70		DEIERM
COc1cc([N-]S(=O)(=O)c2cc(N)cs2)ccc1F	ZINC000159809020	197366573	/nfs/dbraw/zinc/36/65/73/197366573.db2.gz	KFKCFSRPILYFAW-UHFFFAOYSA-N	-1	0	302.352	2.279	10	70		DEIERM
C[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(N)=O	ZINC000160101573	197386191	/nfs/dbraw/zinc/38/61/91/197386191.db2.gz	SLWQSSKUVOPDMZ-SECBINFHSA-N	-1	0	318.760	2.316	10	70		DEIERM
COc1ccc2[nH]c(SCc3n[n-]c(=NN)s3)nc2c1	ZINC000159712244	186136804	/nfs/dbraw/zinc/13/68/04/186136804.db2.gz	KBYTWPJYTZHHDJ-UHFFFAOYSA-N	-1	0	308.392	2.001	10	70		DEIERM
CCOc1ccc2[nH]c(SCc3n[n-]c(=NN)s3)nc2c1	ZINC000159711078	197362003	/nfs/dbraw/zinc/36/20/03/197362003.db2.gz	IZLYYEVEVLAOIZ-UHFFFAOYSA-N	-1	0	322.419	2.391	10	70		DEIERM
Cc1cc(S(=O)(=O)[N-]c2ccnn2C)c(Cl)cc1F	ZINC000159551018	186127077	/nfs/dbraw/zinc/12/70/77/186127077.db2.gz	JZVCCTZPGRTXDX-UHFFFAOYSA-N	-1	0	303.746	2.322	10	70		DEIERM
COC(=O)CCCc1csc([N-]S(=O)(=O)C(C)(C)C)n1	ZINC000160040259	197381752	/nfs/dbraw/zinc/38/17/52/197381752.db2.gz	RGAJVWRTHRZJSQ-UHFFFAOYSA-N	-1	0	320.436	2.179	10	70		DEIERM
COCc1csc([N-]S(=O)(=O)c2sccc2OC)n1	ZINC000159725714	291657807	/nfs/dbraw/zinc/65/78/07/291657807.db2.gz	HRMGWJCRAQIRFC-UHFFFAOYSA-N	-1	0	320.417	2.160	10	70		DEIERM