smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2c(C#N)c(S)[n-]c(=O)c2C#N)c(OC)c1	ZINC000012249979	181744767	/nfs/dbraw/zinc/74/47/67/181744767.db2.gz	SHPFLYWFFJIZBG-UHFFFAOYSA-N	-1	2	313.338	2.091	50	30		DEEALM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c(=O)o1	ZINC000004023357	181063854	/nfs/dbraw/zinc/06/38/54/181063854.db2.gz	QYYBACCETRXSEX-HWKANZROSA-N	-1	2	317.253	2.164	50	30	biogenic	DEEALM
C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000021811993	182291837	/nfs/dbraw/zinc/29/18/37/182291837.db2.gz	UYIKIHUZBLYNIE-UHFFFAOYSA-N	-1	2	307.352	2.228	50	30		DEEALM
O=C([O-])c1ccccc1NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000036151947	526396532	/nfs/dbraw/zinc/39/65/32/526396532.db2.gz	LUOFKJFIXLBMLT-NVNXTCNLSA-N	-1	2	301.258	2.445	50	30		DEEALM
O=C([O-])c1ccccc1NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000011903712	401777437	/nfs/dbraw/zinc/77/74/37/401777437.db2.gz	LUOFKJFIXLBMLT-OVCLIPMQSA-N	-1	2	301.258	2.445	50	30		DEEALM
Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2)sc1C(=O)[O-]	ZINC000037225813	401911472	/nfs/dbraw/zinc/91/14/72/401911472.db2.gz	KEVLRSBHWFUDJK-UHFFFAOYSA-N	-1	2	322.367	2.427	50	30		DEEALM
N#CC1(NC(=O)COc2ccc(CC(=O)[O-])cc2)CCCCC1	ZINC000013421161	181848763	/nfs/dbraw/zinc/84/87/63/181848763.db2.gz	WDUBYQHFXRQATF-UHFFFAOYSA-N	-1	2	316.357	2.035	50	30		DEEALM
CCN(CC)c1ccc(C=[NH+]NC(=S)NC(C)C)c(O)c1	ZINC000254708549	402671442	/nfs/dbraw/zinc/67/14/42/402671442.db2.gz	MYJGCPJQTUJRFS-UHFFFAOYSA-N	-1	2	308.451	2.445	50	30		DEEALM
N#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000076081906	401781038	/nfs/dbraw/zinc/78/10/38/401781038.db2.gz	OMTFCXMNHYFFEJ-UHFFFAOYSA-N	-1	2	320.301	2.196	50	30		DEEALM
O=C([N-]S(=O)(=O)NC(=O)c1ccccc1)c1ccccc1	ZINC000003203596	401722621	/nfs/dbraw/zinc/72/26/21/401722621.db2.gz	RSOTVQARCCDOJP-UHFFFAOYSA-N	-1	2	304.327	2.241	50	30		DEEALM
Cc1cc([O-])c(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2O)c(=O)o1	ZINC000004023883	181063939	/nfs/dbraw/zinc/06/39/39/181063939.db2.gz	MLRTVSNZZNPSMR-DUXPYHPUSA-N	-1	2	317.253	2.164	50	30	biogenic	DEEALM