smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(C(=O)[O-])c([S-])c1	669372283	538442525	/nfs/dbraw/zinc/44/25/25/538442525.db2.gz	MFZYLLRHOGKDHD-UHFFFAOYSA-N	-2	0	196.271	2.797	10	0		AFAERL
Cc1cccc([S-])c1[S-]	34179414	572062415	/nfs/dbraw/zinc/06/24/15/572062415.db2.gz	KTDIMUYSHJBVJC-UHFFFAOYSA-N	-2	0	156.275	2.572	10	0		AFAERL
Cc1cccc(C)c1[N-]C(=S)[S-]	238509791	573770819	/nfs/dbraw/zinc/77/08/19/573770819.db2.gz	KMBPCALJSVYXDB-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL
Cc1cccc([N-]C(=S)[S-])c1C	238533834	573838956	/nfs/dbraw/zinc/83/89/56/573838956.db2.gz	PJARIYGRVGWYSQ-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL
Cc1ccc([N-]C(=S)[S-])cc1C	2168109	571796762	/nfs/dbraw/zinc/79/67/62/571796762.db2.gz	UKBKROTYWJUCCS-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL
Cc1ccc([N-]C(=S)[S-])c(C)c1	2168108	571798254	/nfs/dbraw/zinc/79/82/54/571798254.db2.gz	MMIQUPCEMFMOQI-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL
CC(C)c1cccc(C(=O)[O-])c1[S-]	39149024	571905158	/nfs/dbraw/zinc/90/51/58/571905158.db2.gz	WIUYFRZMOAECIZ-UHFFFAOYSA-N	-2	0	196.271	2.797	10	0		AFAERL
Cc1cc([S-])ccc1[S-]	113594241	573017520	/nfs/dbraw/zinc/01/75/20/573017520.db2.gz	QNQBPLJBKMDKLK-UHFFFAOYSA-N	-2	0	156.275	2.572	10	0		AFAERL
CCc1ccc(O)c([S-])c1[S-]	238283265	573136807	/nfs/dbraw/zinc/13/68/07/573136807.db2.gz	YZXQNBDEEHMFKQ-UHFFFAOYSA-N	-2	0	186.301	2.532	10	0		AFAERL
[S-]c1ccc([S-])c(Cl)c1	117663423	573355078	/nfs/dbraw/zinc/35/50/78/573355078.db2.gz	JVFRSKZYNIRVCN-UHFFFAOYSA-N	-2	0	176.693	2.917	10	0		AFAERL
CCc1cc([S-])ccc1[S-]	117673428	573355267	/nfs/dbraw/zinc/35/52/67/573355267.db2.gz	LITRIQKLFNRGRR-UHFFFAOYSA-N	-2	0	170.302	2.826	10	0		AFAERL
Cc1ccc(C)c([N-]C(=S)[S-])c1	238454408	573626597	/nfs/dbraw/zinc/62/65/97/573626597.db2.gz	LZCPMYAKRCATBB-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL
Cc1cc(O)c([S-])c(C)c1[S-]	238472692	573660983	/nfs/dbraw/zinc/66/09/83/573660983.db2.gz	UWMKNNYMNGITRU-UHFFFAOYSA-N	-2	0	186.301	2.586	10	0		AFAERL
Cc1ccc(C)c([S-])c1[S-]	34117560	343111349	/nfs/dbraw/zinc/11/13/49/343111349.db2.gz	SHIZASOIRBQZSX-UHFFFAOYSA-N	-2	0	170.302	2.881	10	0		AFAERL
CC[C@H](C(=O)[O-])c1ccccc1[S-]	98087648	167590924	/nfs/dbraw/zinc/59/09/24/167590924.db2.gz	DBWIVWFUXQEUGV-ZETCQYMHSA-N	-2	0	196.271	2.554	10	0		AFAERL
S=c1[n-]c2cc([S-])ccc2s1	22002138	171041304	/nfs/dbraw/zinc/04/13/04/171041304.db2.gz	MLKBUBXJSUWJKU-UHFFFAOYSA-N	-2	0	199.325	2.874	10	0		AFAERL
S=c1[n-]c2c([S-])cccc2s1	89195230	171132932	/nfs/dbraw/zinc/13/29/32/171132932.db2.gz	JFISFZKKYWLPPP-UHFFFAOYSA-N	-2	0	199.325	2.874	10	0		AFAERL
Cc1cc(C)cc([N-]C(=S)[S-])c1	238549298	573866274	/nfs/dbraw/zinc/86/62/74/573866274.db2.gz	BWUIRKDACNTGEM-UHFFFAOYSA-N	-2	0	197.328	2.930	10	0		AFAERL