smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O	ZINC000514297324	1066249571	/nfs/dbraw/zinc/24/95/71/1066249571.db2.gz	UVKHXRJKVOEPAL-UHFFFAOYSA-N	1	2	537.665	2.316	20	30		KEEDLO
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CC2)c(C(=O)OC)c1C	ZINC000514297679	1066251509	/nfs/dbraw/zinc/25/15/09/1066251509.db2.gz	ZAJPRWQXOFJWAY-UHFFFAOYSA-N	1	2	588.708	2.247	20	30		KEEDLO
N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CC2)cc1	ZINC000514377965	1066285810	/nfs/dbraw/zinc/28/58/10/1066285810.db2.gz	AECLURZNRZTCSY-UHFFFAOYSA-N	1	2	510.616	2.075	20	30		KEEDLO
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000514379081	1066288457	/nfs/dbraw/zinc/28/84/57/1066288457.db2.gz	LEWZKYHVMOHZRD-UHFFFAOYSA-N	1	2	510.616	2.090	20	30		KEEDLO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514379672	1066293898	/nfs/dbraw/zinc/29/38/98/1066293898.db2.gz	CSVIJZIDBGTMCX-UHFFFAOYSA-N	1	2	515.592	2.220	20	30		KEEDLO
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000514387244	1066308747	/nfs/dbraw/zinc/30/87/47/1066308747.db2.gz	LVJXRSLNHVQXFM-RUZDIDTESA-N	1	2	512.632	2.367	20	30		KEEDLO
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000514387245	1066308574	/nfs/dbraw/zinc/30/85/74/1066308574.db2.gz	LVJXRSLNHVQXFM-VWLOTQADSA-N	1	2	512.632	2.367	20	30		KEEDLO
N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)CC2)cc1	ZINC000514401085	1066327008	/nfs/dbraw/zinc/32/70/08/1066327008.db2.gz	LLCCCGKZBVVZJD-UHFFFAOYSA-N	1	2	528.579	2.478	20	30		KEEDLO
COc1ccc(NC(=S)C(C(=O)C2=CCC(=NS(C)(=O)=O)C=C2)[n+]2ccc(N(C)C)cc2)cn1	ZINC000728558510	1066207251	/nfs/dbraw/zinc/20/72/51/1066207251.db2.gz	NZBBWLLRHZYOFM-UHFFFAOYSA-O	1	2	500.626	2.430	20	30		KEEDLO