smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC[NH+](CC)CC	ZINC000001555293	342946997	/nfs/dbraw/zinc/94/69/97/342946997.db2.gz	BVUGARXRRGZONH-UHFFFAOYSA-N	1	0	185.355	3.689	40	30		AHEBRO
C(=[NH+]C1CCCCC1)=C1CCCCC1	ZINC000001615305	166047082	/nfs/dbraw/zinc/04/70/82/166047082.db2.gz	QQJLHUYLVJLVMF-UHFFFAOYSA-N	1	0	191.318	3.879	40	30		AHEBRO
CCCCCCCCCCC[NH2+]C	ZINC000001646657	342954091	/nfs/dbraw/zinc/95/40/91/342954091.db2.gz	JCJFBKCQLFMABE-UHFFFAOYSA-N	1	0	185.355	3.737	40	30		AHEBRO
CCCCCCCCC1CC[NH2+]CC1	ZINC000001673103	170999536	/nfs/dbraw/zinc/99/95/36/170999536.db2.gz	MCHXXEIRIXBHKI-UHFFFAOYSA-N	1	0	197.366	3.737	40	30		AHEBRO
CCCCCCCC1CCC([NH3+])CC1	ZINC000001702062	171163178	/nfs/dbraw/zinc/16/31/78/171163178.db2.gz	MMJRYOAPODZWNF-UHFFFAOYSA-N	1	0	197.366	3.864	40	30		AHEBRO
CCCCCCCCCCCC(N)=[NH2+]	ZINC000001736105	171166715	/nfs/dbraw/zinc/16/67/15/171166715.db2.gz	DZTBFWYRMXYEJX-UHFFFAOYSA-N	1	0	198.354	3.843	40	30		AHEBRO
C/C(CC(C)C)=[NH+]/[C@@H](C)CC(C)C	ZINC000002044920	166057156	/nfs/dbraw/zinc/05/71/56/166057156.db2.gz	ZWRIUQCTICLUCX-IBPBOOLHSA-N	1	0	183.339	3.928	40	30		AHEBRO
CCCCCCC[NH2+]C1CCCCC1	ZINC000002509148	342973098	/nfs/dbraw/zinc/97/30/98/342973098.db2.gz	HVOQWBBSZCCVFS-UHFFFAOYSA-N	1	0	197.366	3.879	40	30		AHEBRO
CCCCCCCC[C@H]1CCCC[NH2+]1	ZINC000003734461	342984524	/nfs/dbraw/zinc/98/45/24/342984524.db2.gz	DDTVHZWNJBIVQF-ZDUSSCGKSA-N	1	0	197.366	3.879	40	30		AHEBRO
CCCCCCCC[C@@H]1CCCC[NH2+]1	ZINC000003734462	166851524	/nfs/dbraw/zinc/85/15/24/166851524.db2.gz	DDTVHZWNJBIVQF-CYBMUJFWSA-N	1	0	197.366	3.879	40	30		AHEBRO
C=CCCC/C=C/C[NH2+]CCCCC	ZINC000005418646	171164921	/nfs/dbraw/zinc/16/49/21/171164921.db2.gz	BKINDWNGUWEKDF-PKNBQFBNSA-N	1	0	195.350	3.679	40	30		AHEBRO
C=CC[NH2+]CCCCCCCCCC	ZINC000014879983	166187686	/nfs/dbraw/zinc/18/76/86/166187686.db2.gz	USGYNNGHZHARJS-UHFFFAOYSA-N	1	0	197.366	3.903	40	30	in-vitro	AHEBRO
C=C(C)C/[NH+]=C1\C=C(C)CC(C)(C)C1	ZINC000017301434	166115392	/nfs/dbraw/zinc/11/53/92/166115392.db2.gz	KKLFYWHOIJFBET-WYMLVPIESA-N	1	0	191.318	3.770	40	30		AHEBRO
CC(C)=C/C(C)=[NH+]/c1ccccc1	ZINC000017301438	171032276	/nfs/dbraw/zinc/03/22/76/171032276.db2.gz	HDYUYNXWWPTVRA-ACCUITESSA-N	1	0	173.259	3.745	40	30		AHEBRO
C/C(CC(C)C)=[NH+]\[C@H](C)CC(C)C	ZINC000017311227	166056876	/nfs/dbraw/zinc/05/68/76/166056876.db2.gz	ZWRIUQCTICLUCX-GXZRWPEMSA-N	1	0	183.339	3.928	40	30		AHEBRO
C/C(CC(C)C)=[NH+]\[C@@H](C)CC(C)C	ZINC000017311229	166057138	/nfs/dbraw/zinc/05/71/38/166057138.db2.gz	ZWRIUQCTICLUCX-UMAGAQSHSA-N	1	0	183.339	3.928	40	30		AHEBRO
CCCC/[NH+]=C/c1ccc(Cl)cc1	ZINC000017862355	343047221	/nfs/dbraw/zinc/04/72/21/343047221.db2.gz	JVERISAPUYDMBP-UKTHLTGXSA-N	1	0	195.693	3.559	40	30		AHEBRO
CC(C)(C)[NH+]=C1CCCCCCC1	ZINC000025624420	166360485	/nfs/dbraw/zinc/36/04/85/166360485.db2.gz	ACHCDIIFGYXEKD-UHFFFAOYSA-N	1	0	181.323	3.970	40	30		AHEBRO
CCCCCCCC[NH+]1CCCCC1	ZINC000043328198	171087503	/nfs/dbraw/zinc/08/75/03/171087503.db2.gz	OQJRUUUFRQCENE-UHFFFAOYSA-N	1	0	197.366	3.833	40	30		AHEBRO
CCCCCCCC[NH2+]CCCC	ZINC000100027613	171143323	/nfs/dbraw/zinc/14/33/23/171143323.db2.gz	DBIJGSRXWPQTLH-UHFFFAOYSA-N	1	0	185.355	3.737	40	30		AHEBRO
CCCC[P+](CC)(CC)CC	ZINC000100719250	343720141	/nfs/dbraw/zinc/72/01/41/343720141.db2.gz	XCPGSFBEQZMSTL-UHFFFAOYSA-N	1	0	175.276	3.864	40	30		AHEBRO
CCCCCCC[NH2+][C@H]1C=CCCC1	ZINC000104059800	343728177	/nfs/dbraw/zinc/72/81/77/343728177.db2.gz	LMXAGEAVMZRVDG-ZDUSSCGKSA-N	1	0	195.350	3.655	40	30		AHEBRO
CCCCCCC[NH2+][C@@H]1C=CCCC1	ZINC000104059805	343728113	/nfs/dbraw/zinc/72/81/13/343728113.db2.gz	LMXAGEAVMZRVDG-CYBMUJFWSA-N	1	0	195.350	3.655	40	30		AHEBRO
CCCC/[NH+]=C\c1ccc(Cl)cc1	ZINC000104153285	343729338	/nfs/dbraw/zinc/72/93/38/343729338.db2.gz	JVERISAPUYDMBP-LCYFTJDESA-N	1	0	195.693	3.559	40	30		AHEBRO
C=C(C)C/[NH+]=C1/C=C(C)CC(C)(C)C1	ZINC000104359699	166115556	/nfs/dbraw/zinc/11/55/56/166115556.db2.gz	KKLFYWHOIJFBET-OWBHPGMISA-N	1	0	191.318	3.770	40	30		AHEBRO
CC(C)=C/C(C)=[NH+]\c1ccccc1	ZINC000104359711	343731153	/nfs/dbraw/zinc/73/11/53/343731153.db2.gz	HDYUYNXWWPTVRA-QBFSEMIESA-N	1	0	173.259	3.745	40	30		AHEBRO
C/C(CC(C)C)=[NH+]/[C@H](C)CC(C)C	ZINC000104370269	166056202	/nfs/dbraw/zinc/05/62/02/166056202.db2.gz	ZWRIUQCTICLUCX-LPJIALBHSA-N	1	0	183.339	3.928	40	30		AHEBRO
CCCCCCC[C@H]([NH3+])c1ccco1	ZINC000105727248	343737147	/nfs/dbraw/zinc/73/71/47/343737147.db2.gz	GDTWUWOSGLBRHW-NSHDSACASA-N	1	0	195.306	3.640	40	30		AHEBRO
CCCCCCC[C@@H]([NH3+])c1ccco1	ZINC000105727252	343737273	/nfs/dbraw/zinc/73/72/73/343737273.db2.gz	GDTWUWOSGLBRHW-LLVKDONJSA-N	1	0	195.306	3.640	40	30		AHEBRO
CCCCCCCC[C@@H]1CCC[NH2+]C1	ZINC000112144312	343754634	/nfs/dbraw/zinc/75/46/34/343754634.db2.gz	GMVJREBNSYEDGA-CYBMUJFWSA-N	1	0	197.366	3.737	40	30		AHEBRO
CCCCCCCC[C@H]1CCC[NH2+]C1	ZINC000112144315	343754914	/nfs/dbraw/zinc/75/49/14/343754914.db2.gz	GMVJREBNSYEDGA-ZDUSSCGKSA-N	1	0	197.366	3.737	40	30		AHEBRO
CCCC[P+](C)(C)CCCC	ZINC000113342948	343758255	/nfs/dbraw/zinc/75/82/55/343758255.db2.gz	BBWVMXYKVQQWCK-UHFFFAOYSA-N	1	0	175.276	3.864	40	30		AHEBRO
CC(C)(C)[P+](C)(C)C(C)(C)C	ZINC000223791682	344463686	/nfs/dbraw/zinc/46/36/86/344463686.db2.gz	HYZTVBHHERXKDB-UHFFFAOYSA-N	1	0	175.276	3.861	40	30		AHEBRO