smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(Nc2cccc(C3=[NH+]CCN3)c2)=[NH+]CC)cc1	ZINC000001698807	551689550	/nfs/dbraw/zinc/68/95/50/551689550.db2.gz	LDFOJJDZWXCNPC-UHFFFAOYSA-N	4	2	506.658	3.953	40	30		KHEBLP
N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000022861212	553763196	/nfs/dbraw/zinc/76/31/96/553763196.db2.gz	PRTSISGLNRIIDV-UHFFFAOYSA-N	2	2	529.666	3.663	40	30		KHEBLP
N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000022861212	553763194	/nfs/dbraw/zinc/76/31/94/553763194.db2.gz	PRTSISGLNRIIDV-UHFFFAOYSA-N	2	2	529.666	3.663	40	30		KHEBLP
O=[N+]([O-])c1ccc(N[NH+]=Cc2cc([N+](=O)[O-])ccc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000059488610	554398176	/nfs/dbraw/zinc/39/81/76/554398176.db2.gz	JEADFUUEAHYYJZ-CVKSISIWSA-N	2	2	504.503	4.000	40	30		KHEBLP
CN/C(=[NH+]/CCC[NH+]1CCOCC1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/CCC[NH+]4CCOCC4)cc3)cc2)cc1	ZINC000150368544	571465459	/nfs/dbraw/zinc/46/54/59/571465459.db2.gz	MTXCCVVQQVARRU-UHFFFAOYSA-N	4	2	682.870	3.568	40	30		KHEBLP