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([O-])C1CCCCCCCCCC1	ZINC000000394615	169336369	/nfs/dbraw/zinc/33/63/69/169336369.db2.gz	BHECNPOVJVTHKS-UHFFFAOYSA-N	-1	0	198.306	3.602	50	0		AHAARM
O=C([O-])CCCCCC1CCCCC1	ZINC000001577187	169337760	/nfs/dbraw/zinc/33/77/60/169337760.db2.gz	FIDNHQYXZUPELG-UHFFFAOYSA-N	-1	0	198.306	3.602	50	0		AHAARM
[S-]c1ccc(-c2ccccc2)cc1	ZINC000004269988	171011948	/nfs/dbraw/zinc/01/19/48/171011948.db2.gz	KRVHFFQFZQSNLB-UHFFFAOYSA-N	-1	0	186.279	3.642	50	0		AHAARM
O=C([O-])/C1=C\CCCCCCCCC1	ZINC000004786787	169334884	/nfs/dbraw/zinc/33/48/84/169334884.db2.gz	VIOUXKOATDSRRK-LUAWRHEFSA-N	-1	0	196.290	3.522	50	0		AHAARM
O=C([O-])CCCCCCCCC1CC1	ZINC000012153157	537779391	/nfs/dbraw/zinc/77/93/91/537779391.db2.gz	YVSYMQVXJYGAJL-UHFFFAOYSA-N	-1	0	198.306	3.602	50	0		AHAARM
Cc1cc(C(C)(C)C)cc([S-])c1C	ZINC000019336440	631172274	/nfs/dbraw/zinc/17/22/74/631172274.db2.gz	OKUJHKTYQPPFRD-UHFFFAOYSA-N	-1	0	194.343	3.890	50	0		AHAARM
Cc1cc(C(C)(C)C)ccc1[S-]	ZINC000019798433	343060907	/nfs/dbraw/zinc/06/09/07/343060907.db2.gz	DUZJXKYBSMFDIU-UHFFFAOYSA-N	-1	0	180.316	3.581	50	0		AHAARM
Cc1ccc(C(C)(C)C)cc1[S-]	ZINC000019991255	343066032	/nfs/dbraw/zinc/06/60/32/343066032.db2.gz	ZSBNXOIAJFVXMP-UHFFFAOYSA-N	-1	0	180.316	3.581	50	0		AHAARM
Cc1c(C)c(C)c([S-])c(C)c1C	ZINC000020268022	343070522	/nfs/dbraw/zinc/07/05/22/343070522.db2.gz	TZUPAWCZQMMBGH-UHFFFAOYSA-N	-1	0	180.316	3.517	50	0		AHAARM
CC(C)c1ccc2oc(=S)[n-]c2c1	ZINC000038761609	343190663	/nfs/dbraw/zinc/19/06/63/343190663.db2.gz	DZUMMVZHWBDVMB-UHFFFAOYSA-N	-1	0	193.271	3.614	50	0		AHAARM
[S-]c1ccc2cc(Cl)ccc2c1	ZINC000082048874	171121421	/nfs/dbraw/zinc/12/14/21/171121421.db2.gz	UNDQDTFBOZKROF-UHFFFAOYSA-N	-1	0	194.686	3.782	50	0		AHAARM
Cc1ccc([S-])c(C(C)(C)C)c1	ZINC000113601327	537968072	/nfs/dbraw/zinc/96/80/72/537968072.db2.gz	RSYJWXONDDMEST-UHFFFAOYSA-N	-1	0	180.316	3.581	50	0		AHAARM
Cc1c(Cl)cc([S-])cc1Cl	ZINC000146734569	344042219	/nfs/dbraw/zinc/04/22/19/344042219.db2.gz	PTOWMBZMVLLOOY-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1c([S-])cc(Cl)cc1Cl	ZINC000231270519	344650143	/nfs/dbraw/zinc/65/01/43/344650143.db2.gz	NZYVWDNAVCPIBL-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1cc(Cl)c(Cl)cc1[S-]	ZINC000238497738	344809758	/nfs/dbraw/zinc/80/97/58/344809758.db2.gz	VCBVJTRZJQCNOE-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1cc([S-])c(Cl)c(Cl)c1	ZINC000238503643	344809767	/nfs/dbraw/zinc/80/97/67/344809767.db2.gz	JPUNCMTVSFCRHJ-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1cc(Cl)cc([S-])c1Cl	ZINC000263623791	375438013	/nfs/dbraw/zinc/43/80/13/375438013.db2.gz	KSYHDNGCRSLDKL-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1cc([S-])cc(Cl)c1Cl	ZINC000263625149	344956944	/nfs/dbraw/zinc/95/69/44/344956944.db2.gz	XEFXFNJAVBAVOJ-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM
Cc1cc(Cl)c([S-])c(Cl)c1	ZINC000263625199	344956936	/nfs/dbraw/zinc/95/69/36/344956936.db2.gz	XQLBSMCTOSMFNS-UHFFFAOYSA-N	-1	0	193.098	3.591	50	0		AHAARM