smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)c1ccc(NCC[NH+](C)C)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000013652294	562999254	/nfs/dbraw/zinc/99/92/54/562999254.db2.gz	ATXBBSDCCRGIDB-UHFFFAOYSA-N	1	1	440.504	2.267	1	5		IEBFMO
COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc(NCC[NH+](C)C)c3c(=O)c2c1	ZINC000013652295	562999243	/nfs/dbraw/zinc/99/92/43/562999243.db2.gz	CKMROKZCLFVFRW-UHFFFAOYSA-N	1	1	425.533	2.367	1	5		IEBFMO
O=[N+]([O-])c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)n2)cc1	ZINC000013588916	562996092	/nfs/dbraw/zinc/99/60/92/562996092.db2.gz	POBJRIPOMSIISZ-UHFFFAOYSA-N	1	1	440.485	2.389	1	5		IEBFMO
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12	ZINC000058013919	563143297	/nfs/dbraw/zinc/14/32/97/563143297.db2.gz	YGPXUOAEFAHVNX-UHFFFAOYSA-N	1	1	427.508	2.400	3	5		IEBFMO
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCn2cncc2[N+](=O)[O-])CC1	ZINC000027988092	563048896	/nfs/dbraw/zinc/04/88/96/563048896.db2.gz	MCMMLVACMKYCLB-UHFFFAOYSA-N	1	1	429.477	2.242	1	5		IEBFMO
COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000040957422	563114839	/nfs/dbraw/zinc/11/48/39/563114839.db2.gz	XGUBAZOFXNMZNE-UHFFFAOYSA-N	1	1	434.518	2.094	1	5		IEBFMO
O=C(OC[C@H]1OC(=O)N[C@@H]1C[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000072106439	563163090	/nfs/dbraw/zinc/16/30/90/563163090.db2.gz	FJZIGQLRLCODPA-WOJBJXKFSA-N	1	1	440.456	2.051	1	5		IEBFMO