smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1C1SCCS1	ZINC000000166002	183284410	/nfs/dbraw/zinc/28/44/10/183284410.db2.gz	NPUDWXFFNTZTMS-UHFFFAOYSA-N	-1	3	248.372	4.024	50	0		BIAAHM
[O-]c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000000179470	183266283	/nfs/dbraw/zinc/26/62/83/183266283.db2.gz	AMPIAJAEPGYBAA-VMPITWQZSA-N	-1	3	247.297	4.111	50	0	aggregator	BIAAHM
CCCCCC(=O)c1cc(Cl)c(C)cc1[O-]	ZINC000002171760	346497422	/nfs/dbraw/zinc/49/74/22/346497422.db2.gz	LSLVZXGWIXKICO-UHFFFAOYSA-N	-1	3	240.730	4.117	50	0		BIAAHM
CCCCc1cc2ccccc2c([O-])c1C(C)=O	ZINC000003847967	169017855	/nfs/dbraw/zinc/01/78/55/169017855.db2.gz	GBRKDGMBUKXXKR-UHFFFAOYSA-N	-1	3	242.318	4.091	50	0		BIAAHM
[O-]c1ccc(/C=C/c2ccc3ccccc3n2)cc1	ZINC000003953498	183265758	/nfs/dbraw/zinc/26/57/58/183265758.db2.gz	ZIZCWUNKNLIXMX-WEVVVXLNSA-N	-1	3	247.297	4.111	50	0		BIAAHM
S=c1ssc([S-])c1-c1ccccc1	ZINC000004284694	183315626	/nfs/dbraw/zinc/31/56/26/183315626.db2.gz	AQMVADRHHHVXAA-UHFFFAOYSA-N	-1	3	242.415	4.495	50	0		BIAAHM
S=c1[n-]c(-c2cccs2)nc2ccccc21	ZINC000006508713	183314759	/nfs/dbraw/zinc/31/47/59/183314759.db2.gz	KTXUBQWPDGKIIM-UHFFFAOYSA-N	-1	3	244.344	4.021	50	0		BIAAHM
CCCCc1ccc(-c2ccc(C)cc2[O-])nc1	ZINC000013121850	169019476	/nfs/dbraw/zinc/01/94/76/169019476.db2.gz	NUSNSUWWFFIXST-UHFFFAOYSA-N	-1	3	241.334	4.105	50	0		BIAAHM
Cc1c(C)c(-c2ccccc2[O-])nc2ccccc12	ZINC000015453933	342896532	/nfs/dbraw/zinc/89/65/32/342896532.db2.gz	UCJSPJOOEVCOSL-UHFFFAOYSA-N	-1	3	249.313	4.224	50	0		BIAAHM
Cc1ccccc1-c1cc([O-])cc(Cl)c1	ZINC000065343029	179235796	/nfs/dbraw/zinc/23/57/96/179235796.db2.gz	XZCAHMDJWLNUMI-UHFFFAOYSA-N	-1	3	218.683	4.021	50	0		BIAAHM
Cc1cc(C)cc(-c2cc([O-])cc(Cl)c2)c1	ZINC000065343113	385301029	/nfs/dbraw/zinc/30/10/29/385301029.db2.gz	CUECOTSYRVEXRM-UHFFFAOYSA-N	-1	3	232.710	4.329	50	0		BIAAHM
Cc1cc([O-])c(C(C)C)cc1C(=O)C(C)(C)C	ZINC000075854834	178194612	/nfs/dbraw/zinc/19/46/12/178194612.db2.gz	NLYJBYHEVHXRAR-UHFFFAOYSA-N	-1	3	234.339	4.053	50	0		BIAAHM
CC(C)=CCc1ccc2ccccc2c1[O-]	ZINC000087493003	383847379	/nfs/dbraw/zinc/84/73/79/383847379.db2.gz	UEMWMIJHPZVYLT-UHFFFAOYSA-N	-1	3	212.292	4.054	50	0		BIAAHM
CC[C@@H](C)c1cc(C(=O)CC(C)C)ccc1[O-]	ZINC000129729532	583622431	/nfs/dbraw/zinc/62/24/31/583622431.db2.gz	YEZQXNCHZMXUIV-LLVKDONJSA-N	-1	3	234.339	4.135	50	0		BIAAHM
CC[C@H](C)c1cc(C(=O)CC(C)C)ccc1[O-]	ZINC000129729745	591390614	/nfs/dbraw/zinc/39/06/14/591390614.db2.gz	YEZQXNCHZMXUIV-NSHDSACASA-N	-1	3	234.339	4.135	50	0		BIAAHM
CC[C@@H](C)c1cc(C(=O)C(C)(C)C)ccc1[O-]	ZINC000129729970	591390492	/nfs/dbraw/zinc/39/04/92/591390492.db2.gz	FPQBOIUFPLTFEY-SNVBAGLBSA-N	-1	3	234.339	4.135	50	0		BIAAHM
CC[C@H](C)c1cc(C(=O)C(C)(C)C)ccc1[O-]	ZINC000129730177	591391042	/nfs/dbraw/zinc/39/10/42/591391042.db2.gz	FPQBOIUFPLTFEY-JTQLQIEISA-N	-1	3	234.339	4.135	50	0		BIAAHM
Cc1cc([O-])c(C(C)(C)C)cc1C(=O)CC(C)C	ZINC000129731547	591392137	/nfs/dbraw/zinc/39/21/37/591392137.db2.gz	JLXQIEOPTLZELT-UHFFFAOYSA-N	-1	3	248.366	4.227	50	0		BIAAHM
Cc1cc([O-])c(C(C)(C)C)cc1C(=O)C(C)(C)C	ZINC000129731779	591391689	/nfs/dbraw/zinc/39/16/89/591391689.db2.gz	QICBNQKHSMPTKP-UHFFFAOYSA-N	-1	3	248.366	4.227	50	0		BIAAHM
Cc1cc(C(=O)CC(C)C)c(C(C)C)cc1[O-]	ZINC000129732461	591392569	/nfs/dbraw/zinc/39/25/69/591392569.db2.gz	MDKIDUKNBSLHSA-UHFFFAOYSA-N	-1	3	234.339	4.053	50	0		BIAAHM
Cc1cc(C(=O)C(C)(C)C)c(C(C)C)cc1[O-]	ZINC000129732703	591392172	/nfs/dbraw/zinc/39/21/72/591392172.db2.gz	ZLCQSXHASMIBGX-UHFFFAOYSA-N	-1	3	234.339	4.053	50	0		BIAAHM
Cc1cc([O-])c(C(C)C)cc1C(=O)CC(C)C	ZINC000129733589	591392490	/nfs/dbraw/zinc/39/24/90/591392490.db2.gz	KLCBQANLEZXIHI-UHFFFAOYSA-N	-1	3	234.339	4.053	50	0		BIAAHM
[O-]c1ccc(Cl)cc1-c1ccc(Cl)s1	ZINC000156856179	343075898	/nfs/dbraw/zinc/07/58/98/343075898.db2.gz	UFIMRRJBTZMKLO-UHFFFAOYSA-N	-1	3	245.130	4.428	50	0		BIAAHM
Cc1c(Cl)c([O-])c(C(C)C)cc1SC=N	ZINC000409415868	134826046	/nfs/dbraw/zinc/82/60/46/134826046.db2.gz	LDZPXYFADFJLHU-UHFFFAOYSA-N	-1	3	242.751	4.054	50	0		BIAAHM