smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[S-]c1ccc([S-])cc1	396086	583469284	/nfs/dbraw/zinc/46/92/84/583469284.db2.gz	WYLQRHZSKIDFEP-UHFFFAOYSA-N	-2	0	142.248	2.264	50	0	in-vitro	AEAARL
O=C([O-])/C=C/c1ccc([S-])cc1	2389584	169334429	/nfs/dbraw/zinc/33/44/29/169334429.db2.gz	SLKXZKKNPSNVQO-ZZXKWVIFSA-N	-2	0	180.228	2.073	50	0	in-vitro	AEAARL
O=C([O-])c1cc(Cl)ccc1[S-]	34581910	169356160	/nfs/dbraw/zinc/35/61/60/169356160.db2.gz	BRJPZCDOLGSYPS-UHFFFAOYSA-N	-2	0	188.635	2.327	50	0	in-vitro	AEAARL
O=C([O-])c1cc([S-])ccc1Cl	34463634	169356520	/nfs/dbraw/zinc/35/65/20/169356520.db2.gz	KQMNSWRPVWLTKM-UHFFFAOYSA-N	-2	0	188.635	2.327	50	0	in-vitro	AEAARL
O=C([O-])c1ccc(Cl)cc1[S-]	62787842	169357899	/nfs/dbraw/zinc/35/78/99/169357899.db2.gz	UYVLVRVQXGNHFU-UHFFFAOYSA-N	-2	0	188.635	2.327	50	0		AEAARL
O=C([O-])c1ccc([S-])cc1Cl	61848765	169358195	/nfs/dbraw/zinc/35/81/95/169358195.db2.gz	YOYXYAGSKKRITO-UHFFFAOYSA-N	-2	0	188.635	2.327	50	0	in-vitro	AEAARL
O=C([O-])c1ccc([S-])c(Cl)c1	47844112	169358224	/nfs/dbraw/zinc/35/82/24/169358224.db2.gz	LTXNOYLJVALMQN-UHFFFAOYSA-N	-2	0	188.635	2.327	50	0	in-vitro	AEAARL
O=C([O-])c1ccc2[n-]c(=S)oc2c1	26439873	169358486	/nfs/dbraw/zinc/35/84/86/169358486.db2.gz	PCYGQWDOXVVKLM-UHFFFAOYSA-N	-2	0	195.199	2.189	50	0	in-vitro	AEAARL
[S-]c1ccccc1[S-]	388565	342935995	/nfs/dbraw/zinc/93/59/95/342935995.db2.gz	JRNVQLOKVMWBFR-UHFFFAOYSA-N	-2	0	142.248	2.264	50	0	in-vitro	AEAARL
[S-]c1cccc([S-])c1	388564	342936014	/nfs/dbraw/zinc/93/60/14/342936014.db2.gz	ZWOASCVFHSYHOB-UHFFFAOYSA-N	-2	0	142.248	2.264	50	0	in-vitro	AEAARL
S=C([S-])[N-]c1ccccc1	1652188	351291554	/nfs/dbraw/zinc/29/15/54/351291554.db2.gz	SUSXWKRWORPGPG-UHFFFAOYSA-N	-2	0	169.274	2.313	50	0		AEAARL