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(=O)[O-])(C(=O)O)C1CCCC1	143444176	566266418	/nfs/dbraw/zinc/26/64/18/566266418.db2.gz	IAGZDEGCKPKHBW-UHFFFAOYSA-N	-1	2	186.207	1.352	20	0		ADADLM
Cc1ccc(S)cc1C(=O)[O-]	34550338	343121759	/nfs/dbraw/zinc/12/17/59/343121759.db2.gz	FJWXUOBINDAINN-UHFFFAOYSA-N	-1	2	168.217	1.982	20	0		ADADLM
Cc1c(S)cccc1C(=O)[O-]	34567220	343122211	/nfs/dbraw/zinc/12/22/11/343122211.db2.gz	SLCSFMNQHPVVOH-UHFFFAOYSA-N	-1	2	168.217	1.982	20	0		ADADLM
CC(C)(C)C[C@H](CC(=O)O)C(=O)[O-]	225507689	166356477	/nfs/dbraw/zinc/35/64/77/166356477.db2.gz	XRSDVKXFCVCMKF-LURJTMIESA-N	-1	2	188.223	1.598	20	0	in-vitro	ADADLM
CC(C)(C)C[C@@H](CC(=O)O)C(=O)[O-]	225507650	166357483	/nfs/dbraw/zinc/35/74/83/166357483.db2.gz	XRSDVKXFCVCMKF-ZCFIWIBFSA-N	-1	2	188.223	1.598	20	0	in-vitro	ADADLM
Cc1cccc(C(=O)[O-])c1S	39254340	168863218	/nfs/dbraw/zinc/86/32/18/168863218.db2.gz	IKSLUORXVBMJFU-UHFFFAOYSA-N	-1	2	168.217	1.982	20	0	in-vitro	ADADLM
Nc1ccc(C(=O)[O-])c(S)c1	31771101	169291314	/nfs/dbraw/zinc/29/13/14/169291314.db2.gz	QTXSDPJOPCWEME-UHFFFAOYSA-N	-1	2	169.205	1.256	20	0		ADADLM
O=C([O-])C(C(=O)O)[C@H]1C=CCCC1	39239997	171077491	/nfs/dbraw/zinc/07/74/91/171077491.db2.gz	LBRUHJWMRSLADF-LURJTMIESA-N	-1	2	184.191	1.128	20	0	in-vitro	ADADLM
O=C([O-])C(C(=O)O)[C@@H]1C=CCCC1	39239998	171077616	/nfs/dbraw/zinc/07/76/16/171077616.db2.gz	LBRUHJWMRSLADF-ZCFIWIBFSA-N	-1	2	184.191	1.128	20	0	in-vitro	ADADLM
COc1ccc(C(=O)[O-])c(S)c1	34198656	343113217	/nfs/dbraw/zinc/11/32/17/343113217.db2.gz	HZTCEOITUGFBIS-UHFFFAOYSA-N	-1	2	184.216	1.682	20	0		ADADLM
Cc1ccc(S)c(C(=O)[O-])c1	34581913	343122406	/nfs/dbraw/zinc/12/24/06/343122406.db2.gz	HIOOFBBNJCVVJZ-UHFFFAOYSA-N	-1	2	168.217	1.982	20	0		ADADLM
COc1cccc(C(=O)[O-])c1S	116318435	343769207	/nfs/dbraw/zinc/76/92/07/343769207.db2.gz	FTQMNOFVPBFDPF-UHFFFAOYSA-N	-1	2	184.216	1.682	20	0		ADADLM
COc1cccc(S)c1C(=O)[O-]	136963554	343982669	/nfs/dbraw/zinc/98/26/69/343982669.db2.gz	SPABJRUNNMPUQH-UHFFFAOYSA-N	-1	2	184.216	1.682	20	0		ADADLM
O=[P@@]([O-])(O)OCc1ccccc1	2391325	351307242	/nfs/dbraw/zinc/30/72/42/351307242.db2.gz	YTFJQDNGSQJFNA-UHFFFAOYSA-N	-1	2	188.119	1.296	20	0		ADADLM
O=[P@]([O-])(O)OCc1ccccc1	2391325	351307246	/nfs/dbraw/zinc/30/72/46/351307246.db2.gz	YTFJQDNGSQJFNA-UHFFFAOYSA-N	-1	2	188.119	1.296	20	0		ADADLM
Clc1n[nH]c2c(Cl)ncnc12	575624790	352868265	/nfs/dbraw/zinc/86/82/65/352868265.db2.gz	OUODFHBTWYVQTG-UHFFFAOYSA-N	-1	2	189.005	1.660	20	0		ADADLM
Cc1ccc(C(=O)[O-])cc1S	125098042	573787840	/nfs/dbraw/zinc/78/78/40/573787840.db2.gz	DPQJKXZGOHWVCB-UHFFFAOYSA-N	-1	2	168.217	1.982	20	0		ADADLM