smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNCCC[NH2+]CCCC	1562397	342947514	/nfs/dbraw/zinc/94/75/14/342947514.db2.gz	GMTISLOMZKMDTF-UHFFFAOYSA-N	1	3	186.343	2.156	40	0		AEABHO
CCCC[C@H](CC)C[NH2+]CCCN	2165180	342970420	/nfs/dbraw/zinc/97/04/20/342970420.db2.gz	XKXKBRKXBRLPNS-NSHDSACASA-N	1	3	186.343	2.141	40	0		AEABHO
CCCCN(C)CC[C@H]([NH3+])C(C)C	96523806	343698255	/nfs/dbraw/zinc/69/82/55/343698255.db2.gz	OPSNCHQWKASKBJ-NSHDSACASA-N	1	3	186.343	2.092	40	0		AEABHO
CCCCN(CCCC)CCC(N)=[NH2+]	20485680	166884389	/nfs/dbraw/zinc/88/43/89/166884389.db2.gz	IHMALUZEFYIWBP-UHFFFAOYSA-N	1	3	199.342	2.215	40	0		AEABHO
CCN[C@@H]1C[N@H+](C)C2(CCCCC2)C1	205706653	167291559	/nfs/dbraw/zinc/29/15/59/167291559.db2.gz	JJJBBIYWZBIQFU-NSHDSACASA-N	1	3	196.338	2.003	40	0		AEABHO
CCN[C@@H]1C[N@@H+](C)C2(CCCCC2)C1	205706653	167291561	/nfs/dbraw/zinc/29/15/61/167291561.db2.gz	JJJBBIYWZBIQFU-NSHDSACASA-N	1	3	196.338	2.003	40	0		AEABHO
CCN[C@H]1C[N@H+](C)C2(CCCCC2)C1	205706635	167304897	/nfs/dbraw/zinc/30/48/97/167304897.db2.gz	JJJBBIYWZBIQFU-LLVKDONJSA-N	1	3	196.338	2.003	40	0		AEABHO
CCN[C@H]1C[N@@H+](C)C2(CCCCC2)C1	205706635	167304900	/nfs/dbraw/zinc/30/49/00/167304900.db2.gz	JJJBBIYWZBIQFU-LLVKDONJSA-N	1	3	196.338	2.003	40	0		AEABHO
NCC[C@@H]1CCC[N@@H+]1C1CCCCC1	72365934	169193241	/nfs/dbraw/zinc/19/32/41/169193241.db2.gz	OQCSSDXPXGNXOT-LBPRGKRZSA-N	1	3	196.338	2.132	40	0		AEABHO
NCC[C@@H]1CCC[N@H+]1C1CCCCC1	72365934	169193242	/nfs/dbraw/zinc/19/32/42/169193242.db2.gz	OQCSSDXPXGNXOT-LBPRGKRZSA-N	1	3	196.338	2.132	40	0		AEABHO
NCC[C@H]1CCC[N@@H+]1C1CCCCC1	72365933	169195286	/nfs/dbraw/zinc/19/52/86/169195286.db2.gz	OQCSSDXPXGNXOT-GFCCVEGCSA-N	1	3	196.338	2.132	40	0		AEABHO
NCC[C@H]1CCC[N@H+]1C1CCCCC1	72365933	169195287	/nfs/dbraw/zinc/19/52/87/169195287.db2.gz	OQCSSDXPXGNXOT-GFCCVEGCSA-N	1	3	196.338	2.132	40	0		AEABHO
CC(C)[NH2+]CCCN1CCCC[C@@H]1C	19913107	343064457	/nfs/dbraw/zinc/06/44/57/343064457.db2.gz	XSBMLCKETXPRNV-LBPRGKRZSA-N	1	3	198.354	2.249	40	0		AEABHO
CC(C)[NH2+]CCCN1CCCC[C@H]1C	19913109	343064704	/nfs/dbraw/zinc/06/47/04/343064704.db2.gz	XSBMLCKETXPRNV-GFCCVEGCSA-N	1	3	198.354	2.249	40	0		AEABHO
CCCC[N@H+](C)CC1(N)CCCCC1	20072738	343066777	/nfs/dbraw/zinc/06/67/77/343066777.db2.gz	YXKIZTOGQDJPOD-UHFFFAOYSA-N	1	3	198.354	2.380	40	0		AEABHO
CCCC[N@@H+](C)CC1(N)CCCCC1	20072738	343066779	/nfs/dbraw/zinc/06/67/79/343066779.db2.gz	YXKIZTOGQDJPOD-UHFFFAOYSA-N	1	3	198.354	2.380	40	0		AEABHO
CC1([NH+]2CCC(N)CC2)CCCCC1	45045993	343270457	/nfs/dbraw/zinc/27/04/57/343270457.db2.gz	FMKMPJLVCIROGX-UHFFFAOYSA-N	1	3	196.338	2.132	40	0		AEABHO
CC1CCN(CC[C@H]([NH3+])C(C)C)CC1	58058365	343338760	/nfs/dbraw/zinc/33/87/60/343338760.db2.gz	OAWCTHSYDHHCGH-LBPRGKRZSA-N	1	3	198.354	2.092	40	0		AEABHO
CC1CCN(CC[C@@H]([NH3+])C(C)C)CC1	58058369	343338989	/nfs/dbraw/zinc/33/89/89/343338989.db2.gz	OAWCTHSYDHHCGH-GFCCVEGCSA-N	1	3	198.354	2.092	40	0		AEABHO
CCCCN(C)CC[C@@H]([NH3+])C(C)C	96523807	343698492	/nfs/dbraw/zinc/69/84/92/343698492.db2.gz	OPSNCHQWKASKBJ-LLVKDONJSA-N	1	3	186.343	2.092	40	0		AEABHO