smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000026486755	171487840	/nfs/dbraw/zinc/48/78/40/171487840.db2.gz	IGKHQNBNAWPZEX-UHFFFAOYSA-N	1	0	273.379	5.084	10	5		CKBERO
CCCCC[N+](CCC)(CCCCC)CCCCC	ZINC000034206841	717124309	/nfs/dbraw/zinc/12/43/09/717124309.db2.gz	JZIJYAHEYCCHLE-UHFFFAOYSA-N	1	0	270.525	5.784	10	5		CKBERO
CCCCC[N+](CC)(CCCCC)CCCCC	ZINC000034206842	717124142	/nfs/dbraw/zinc/12/41/42/717124142.db2.gz	SSSPGHOXGVKBLH-UHFFFAOYSA-N	1	0	256.498	5.394	10	5		CKBERO
CCCCCC[N+](CC)(CCCCCC)CCCCCC	ZINC000034206843	717123817	/nfs/dbraw/zinc/12/38/17/717123817.db2.gz	VDLSLJHFHCXQER-UHFFFAOYSA-N	1	0	298.579	6.564	10	5		CKBERO
CCCCCC[N+](C)(CCCCCC)CCCCCC	ZINC000034407847	717124148	/nfs/dbraw/zinc/12/41/48/717124148.db2.gz	HSQNIIUDNMPIJI-UHFFFAOYSA-N	1	0	284.552	6.174	10	5		CKBERO
C[N+](c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000039319659	717126788	/nfs/dbraw/zinc/12/67/88/717126788.db2.gz	PHUUEJUSWPFFOG-UHFFFAOYSA-N	1	0	260.360	5.287	10	5		CKBERO
Cc1ccc(C)c(-c2c3ccccc3[n+](C)c3ccccc32)c1	ZINC000044069427	526255702	/nfs/dbraw/zinc/25/57/02/526255702.db2.gz	PZMQDVRKZQISGY-UHFFFAOYSA-N	1	0	298.409	5.101	10	5		CKBERO
Cc1cccc(C)c1-c1c2ccccc2[n+](C)c2ccccc21	ZINC000044069431	524242495	/nfs/dbraw/zinc/24/24/95/524242495.db2.gz	ALHSOZAEBFNWED-UHFFFAOYSA-N	1	0	298.409	5.101	10	5		CKBERO
Cc1cc(C(C)(C)C)cc(C)c1C[N+](C)(C)C1CCCC1	ZINC000057940000	717130849	/nfs/dbraw/zinc/13/08/49/717130849.db2.gz	PMVOLGKROHZCHM-UHFFFAOYSA-N	1	0	288.499	5.120	10	5		CKBERO
C1CCC([N+](C2CCCC2)(C2CCCC2)C2CCCC2)C1	ZINC000114295175	717149544	/nfs/dbraw/zinc/14/95/44/717149544.db2.gz	SWOOVPIAYQAXIX-UHFFFAOYSA-N	1	0	290.515	5.574	10	5		CKBERO
CCCC[N+](CCC(C)C)(CCC(C)C)CCC(C)C	ZINC000115148447	717149489	/nfs/dbraw/zinc/14/94/89/717149489.db2.gz	GODRZWJMMDQQNS-UHFFFAOYSA-N	1	0	284.552	5.742	10	5		CKBERO
CCCC[N+](CCCC)(CCCC)CCC(C)C	ZINC000117910910	717150278	/nfs/dbraw/zinc/15/02/78/717150278.db2.gz	YNWKOLFCHXFCSK-UHFFFAOYSA-N	1	0	256.498	5.250	10	5		CKBERO
CCCCC[N+](CCCC)(CCCC)CCCCC	ZINC000140686331	717152126	/nfs/dbraw/zinc/15/21/26/717152126.db2.gz	KHQRIXZSDGPKKX-UHFFFAOYSA-N	1	0	270.525	5.784	10	5		CKBERO
CCCC[N+](CCCC)(CCCC)Cc1ccc(C)cc1	ZINC000141635971	717152266	/nfs/dbraw/zinc/15/22/66/717152266.db2.gz	CIHYGEDMPKDDHP-UHFFFAOYSA-N	1	0	290.515	5.712	10	5		CKBERO
C[N+](C)(C)CCCCCCCCCCCC(F)(F)F	ZINC000205385481	717159975	/nfs/dbraw/zinc/15/99/75/717159975.db2.gz	DUALLODIAJQXQF-UHFFFAOYSA-N	1	0	282.414	5.156	10	5		CKBERO