smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cccn2c(=O)c3ccccc3nc12)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000020646249	563025057	/nfs/dbraw/zinc/02/50/57/563025057.db2.gz	DSGXRODWBIBRGI-UHFFFAOYSA-N	1	2	442.475	2.534	3	5		IFBFLO
O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000020646329	563025087	/nfs/dbraw/zinc/02/50/87/563025087.db2.gz	MIJVEARSGVXVPI-UHFFFAOYSA-N	1	2	442.475	2.534	3	5		IFBFLO
COc1cc(O)c2c(c1)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc1c2=O	ZINC000028572672	563059680	/nfs/dbraw/zinc/05/96/80/563059680.db2.gz	XPPLVGGOTCAKSI-UHFFFAOYSA-N	1	2	431.496	2.710	1	5		IFBFLO
COc1cc2c(cc1OC)c1nnc3cc4c(cc3c1n(CCn1cc[nH+]c1)c2=O)OCO4	ZINC000029044999	563072524	/nfs/dbraw/zinc/07/25/24/563072524.db2.gz	DIFAAMUVGKAQIF-UHFFFAOYSA-N	1	2	445.435	2.741	1	5		IFBFLO
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000013144706	132345804	/nfs/dbraw/zinc/34/58/04/132345804.db2.gz	RTRWWRFAKXNNTO-WGKKAQPQSA-N	1	2	445.479	2.628	1	5		IFBFLO
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000013144707	132345750	/nfs/dbraw/zinc/34/57/50/132345750.db2.gz	RTRWWRFAKXNNTO-KFVVBQDRSA-N	1	2	445.479	2.628	1	5		IFBFLO
CC(C)(C)OC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)CC1	ZINC000040564965	563104795	/nfs/dbraw/zinc/10/47/95/563104795.db2.gz	XXSYNCSESBWKRD-UHFFFAOYSA-N	1	2	431.449	2.570	1	5		IFBFLO