smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CC[NH+]1CCN(c2ccncc2)CC1	ZINC000161288393	538915356	/nfs/dbraw/zinc/91/53/56/538915356.db2.gz	HDOXLBUFRYMLFD-UHFFFAOYSA-N	1	3	247.386	2.640	20	70		BFIDHO
CC(C)CCN(C)CCC[NH+]1CCCCC1	ZINC000160636096	541356394	/nfs/dbraw/zinc/35/63/94/541356394.db2.gz	AGDWGCZCRAJZDE-UHFFFAOYSA-N	1	3	226.408	2.840	20	70		BFIDHO
CN1CCC[C@H]1CC[N@H+](C)CCc1ccccc1	ZINC000161420374	384488614	/nfs/dbraw/zinc/48/86/14/384488614.db2.gz	LCLNXBVITVTOHF-INIZCTEOSA-N	1	3	246.398	2.645	20	70		BFIDHO
CN1CCC[C@H]1CC[N@@H+](C)CCc1ccccc1	ZINC000161420374	384488625	/nfs/dbraw/zinc/48/86/25/384488625.db2.gz	LCLNXBVITVTOHF-INIZCTEOSA-N	1	3	246.398	2.645	20	70		BFIDHO
CC1(C)CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161091332	323146134	/nfs/dbraw/zinc/14/61/34/323146134.db2.gz	PVWQAIVSMFPKJY-UHFFFAOYSA-N	1	3	238.419	2.984	20	70		BFIDHO
CC1(C)CCN(CCC[NH+]2CCCCC2)C1	ZINC000161317428	384481107	/nfs/dbraw/zinc/48/11/07/384481107.db2.gz	LRPLBFMTXIDPAE-UHFFFAOYSA-N	1	3	224.392	2.594	20	70		BFIDHO
CN(C)[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030494	323143270	/nfs/dbraw/zinc/14/32/70/323143270.db2.gz	BWVHUSWNDBCUMZ-UONOGXRCSA-N	1	3	236.403	2.637	20	70		BFIDHO
CN(CCC[NH+]1CCCCC1)CC(C)(C)C	ZINC000160847024	388093660	/nfs/dbraw/zinc/09/36/60/388093660.db2.gz	DXHXEESKHFHKDC-UHFFFAOYSA-N	1	3	226.408	2.840	20	70		BFIDHO
CN1CCC[C@@H]1CC[N@H+](C)CCc1ccccc1	ZINC000161420252	384487669	/nfs/dbraw/zinc/48/76/69/384487669.db2.gz	LCLNXBVITVTOHF-MRXNPFEDSA-N	1	3	246.398	2.645	20	70		BFIDHO
CN1CCC[C@@H]1CC[N@@H+](C)CCc1ccccc1	ZINC000161420252	384487674	/nfs/dbraw/zinc/48/76/74/384487674.db2.gz	LCLNXBVITVTOHF-MRXNPFEDSA-N	1	3	246.398	2.645	20	70		BFIDHO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1	ZINC000161125529	323148020	/nfs/dbraw/zinc/14/80/20/323148020.db2.gz	LMQVSIBZKREOBS-ILXRZTDVSA-N	1	3	238.419	2.883	20	70		BFIDHO
CC(C)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1	ZINC000161125716	323148083	/nfs/dbraw/zinc/14/80/83/323148083.db2.gz	LMQVSIBZKREOBS-KKUMJFAQSA-N	1	3	238.419	2.883	20	70		BFIDHO
CN(C)[C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030566	323143229	/nfs/dbraw/zinc/14/32/29/323143229.db2.gz	BWVHUSWNDBCUMZ-KBPBESRZSA-N	1	3	236.403	2.637	20	70		BFIDHO
Cc1cc(NCC[NH+]2CCCCCC2)ccn1	ZINC000160917445	178162050	/nfs/dbraw/zinc/16/20/50/178162050.db2.gz	HHSCZLAFNBMDSF-UHFFFAOYSA-N	1	3	233.359	2.678	20	70		BFIDHO
CN(C)[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030685	346472548	/nfs/dbraw/zinc/47/25/48/346472548.db2.gz	BWVHUSWNDBCUMZ-ZIAGYGMSSA-N	1	3	236.403	2.637	20	70		BFIDHO
CN(C)[C@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030816	323143231	/nfs/dbraw/zinc/14/32/31/323143231.db2.gz	BWVHUSWNDBCUMZ-KGLIPLIRSA-N	1	3	236.403	2.637	20	70		BFIDHO