smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)[NH+](C)C	ZINC000027647277	563045053	/nfs/dbraw/zinc/04/50/53/563045053.db2.gz	VLCUZDNZUQSBTA-ODXZCNLHSA-N	2	1	447.586	5.725	1	5		IKBFMP
O=[N+]([O-])c1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000028885739	563068027	/nfs/dbraw/zinc/06/80/27/563068027.db2.gz	IEAJIOYCAZAKHN-CLJLJLNGSA-N	2	1	435.568	5.132	1	5		IKBFMP
C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cccc([N+](=O)[O-])c5)cc34)cc2)CC1	ZINC000058538431	563144131	/nfs/dbraw/zinc/14/41/31/563144131.db2.gz	XRUMFCRCPBCILD-UHFFFAOYSA-N	2	1	439.519	5.305	1	5		IKBFMP
C[C@H](C/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)[NH+](C)C	ZINC000027647283	563045150	/nfs/dbraw/zinc/04/51/50/563045150.db2.gz	VLCUZDNZUQSBTA-UCQDIZFZSA-N	2	1	447.586	5.725	1	5		IKBFMP
O=[N+]([O-])c1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000058685767	563146113	/nfs/dbraw/zinc/14/61/13/563146113.db2.gz	IEAJIOYCAZAKHN-UIOOFZCWSA-N	2	1	435.568	5.132	1	5		IKBFMP
COc1ccccc1C[NH2+][C@H]1C2CC[N+](C)(CC2)[C@H]1C(c1ccccc1)c1ccccc1	ZINC000000605588	562918814	/nfs/dbraw/zinc/91/88/14/562918814.db2.gz	QBVKHKPSAMYONA-JNSHEXFGSA-N	2	1	427.612	5.224	1	5		IKBFMP
CC[N@@H+](CCCC[NH2+]CCCC[NH2+]CCCC[NH3+])Cc1c2ccccc2cc2ccccc21	ZINC000029055324	563073428	/nfs/dbraw/zinc/07/34/28/563073428.db2.gz	KPNCFXIHAPMXSX-UHFFFAOYSA-N	4	1	448.699	5.293	1	5		IKBFMP
O=[N+]([O-])c1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000028885733	563068064	/nfs/dbraw/zinc/06/80/64/563068064.db2.gz	IEAJIOYCAZAKHN-IZZNHLLZSA-N	2	1	435.568	5.132	1	5		IKBFMP