smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC=CNc1ccccc1S	ZINC001210059719	762332286	/nfs/dbraw/zinc/33/22/86/762332286.db2.gz	DJGMEDXMYRHTEE-RMKNXTFCSA-N	0	2	193.315	3.701	20	0		AHADLN
CCCC=CNc1ccc(S)cc1	ZINC001210060562	762332591	/nfs/dbraw/zinc/33/25/91/762332591.db2.gz	SPTVRCXRPHHKTJ-RUDMXATFSA-N	0	2	193.315	3.701	20	0		AHADLN
CCC[C@@H](C)Oc1ccccc1S	ZINC001225585138	764319441	/nfs/dbraw/zinc/31/94/41/764319441.db2.gz	WKJIQGQPKPRTNA-SECBINFHSA-N	0	2	196.315	3.543	20	0		AHADLN
CCC[C@H](C)Oc1ccccc1S	ZINC001225585139	764318483	/nfs/dbraw/zinc/31/84/83/764318483.db2.gz	WKJIQGQPKPRTNA-VIFPVBQESA-N	0	2	196.315	3.543	20	0		AHADLN
CCC(CC)Oc1ccccc1S	ZINC001225585513	764317341	/nfs/dbraw/zinc/31/73/41/764317341.db2.gz	YBTLKMROBDFKMF-UHFFFAOYSA-N	0	2	196.315	3.543	20	0		AHADLN
CCC[C@H](C)Oc1cccc(S)c1	ZINC001226014346	764338258	/nfs/dbraw/zinc/33/82/58/764338258.db2.gz	SHDVMGUUMCZZQZ-VIFPVBQESA-N	0	2	196.315	3.543	20	0		AHADLN
CCC[C@@H](C)Oc1cccc(S)c1	ZINC001226016333	764339242	/nfs/dbraw/zinc/33/92/42/764339242.db2.gz	SHDVMGUUMCZZQZ-SECBINFHSA-N	0	2	196.315	3.543	20	0		AHADLN
CCC(CC)Oc1cccc(S)c1	ZINC001226017365	764339167	/nfs/dbraw/zinc/33/91/67/764339167.db2.gz	YOAPBNIHUJBYRX-UHFFFAOYSA-N	0	2	196.315	3.543	20	0		AHADLN
Sc1cccc(-c2ccsc2)c1	ZINC001239510357	764804884	/nfs/dbraw/zinc/80/48/84/764804884.db2.gz	LUKRLXBJFJPDNH-UHFFFAOYSA-N	0	2	192.308	3.704	20	0		AHADLN
Sc1ccccc1-c1ccsc1	ZINC001239510400	764804772	/nfs/dbraw/zinc/80/47/72/764804772.db2.gz	MKOMPPJPAWELER-UHFFFAOYSA-N	0	2	192.308	3.704	20	0		AHADLN
Sc1ccc(C2=CCCC2)cc1	ZINC001239786377	764828288	/nfs/dbraw/zinc/82/82/88/764828288.db2.gz	JRXUTJDRVAQNEB-UHFFFAOYSA-N	0	2	176.284	3.543	20	0		AHADLN
Sc1cccc(C2=CCCC2)c1	ZINC001239787348	764828642	/nfs/dbraw/zinc/82/86/42/764828642.db2.gz	ZPJSFLJKXMDVOP-UHFFFAOYSA-N	0	2	176.284	3.543	20	0		AHADLN
Sc1cccc(C2=CCCCC2)c1	ZINC001241716259	764989260	/nfs/dbraw/zinc/98/92/60/764989260.db2.gz	FDMFBRWUWQLKGK-UHFFFAOYSA-N	0	2	190.311	3.933	20	0		AHADLN
Sc1ccccc1C1=CCCCC1	ZINC001241716943	764992102	/nfs/dbraw/zinc/99/21/02/764992102.db2.gz	NRHRLBYMTQWGKX-UHFFFAOYSA-N	0	2	190.311	3.933	20	0		AHADLN
CCC/C=C/c1ccccc1S	ZINC001242254979	765025514	/nfs/dbraw/zinc/02/55/14/765025514.db2.gz	NAHOJXLICLSDFC-QPJJXVBHSA-N	0	2	178.300	3.789	20	0		AHADLN
CCC/C=C/c1cccc(S)c1	ZINC001242255029	765027882	/nfs/dbraw/zinc/02/78/82/765027882.db2.gz	PGJLNWGJEAHGQQ-GQCTYLIASA-N	0	2	178.300	3.789	20	0		AHADLN