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]1CCCCCCCCc2cccc([nH+]2)C1	ZINC000005423470	560201828	/nfs/dbraw/zinc/20/18/28/560201828.db2.gz	IMNKABOILQOFDL-CQSZACIVSA-N	1	2	231.383	4.547	10	0	biogenic,in-vitro	BJAELO
Cc1cccc(Nc2cc(C)c3ccccc3[nH+]2)c1	ZINC000005589673	179158993	/nfs/dbraw/zinc/15/89/93/179158993.db2.gz	FWUCMKWUGMLQSR-UHFFFAOYSA-N	1	2	248.329	4.595	10	0		BJAELO
C[C@H]1CCCCCCCCc2cccc([nH+]2)C1	ZINC000014611383	384303434	/nfs/dbraw/zinc/30/34/34/384303434.db2.gz	IMNKABOILQOFDL-AWEZNQCLSA-N	1	2	231.383	4.547	10	0		BJAELO
CCCCC[C@H](C)[NH2+]c1ccc(OC(C)C)cc1	ZINC000020472724	168744394	/nfs/dbraw/zinc/74/43/94/168744394.db2.gz	LERNHQBYVICEJN-AWEZNQCLSA-N	1	2	249.398	4.855	10	0		BJAELO
CCCC[C@H](CC)c1[nH]c2cc(C)c(C)cc2[nH+]1	ZINC000103934688	169001109	/nfs/dbraw/zinc/00/11/09/169001109.db2.gz	AGKNOROTRLAFPX-ZDUSSCGKSA-N	1	2	244.382	4.864	10	0		BJAELO
CCC(CC)C[NH2+]c1ccc(OC(C)C)cc1C	ZINC000103983612	168366721	/nfs/dbraw/zinc/36/67/21/168366721.db2.gz	MCKMRCSFBLMFCG-UHFFFAOYSA-N	1	2	249.398	4.630	10	0		BJAELO
CCCOc1cc(C)ccc1[NH2+][C@@H](CC)C(C)C	ZINC000103986980	169314739	/nfs/dbraw/zinc/31/47/39/169314739.db2.gz	CYPCWSFPLXMSAS-AWEZNQCLSA-N	1	2	249.398	4.630	10	0		BJAELO
CCCOc1cc(C)ccc1[NH2+][C@H](CC)C(C)C	ZINC000103986985	169314712	/nfs/dbraw/zinc/31/47/12/169314712.db2.gz	CYPCWSFPLXMSAS-CQSZACIVSA-N	1	2	249.398	4.630	10	0		BJAELO
CCCOc1cc(C)ccc1[NH2+][C@@H](C)CC(C)C	ZINC000103988750	169314668	/nfs/dbraw/zinc/31/46/68/169314668.db2.gz	OOVPVJLDFRWOPA-AWEZNQCLSA-N	1	2	249.398	4.630	10	0		BJAELO
CCCOc1cc(C)ccc1[NH2+][C@H](C)CC(C)C	ZINC000103988754	169314574	/nfs/dbraw/zinc/31/45/74/169314574.db2.gz	OOVPVJLDFRWOPA-CQSZACIVSA-N	1	2	249.398	4.630	10	0		BJAELO
CC[C@H](C[C@@H](C)CC)[NH2+]c1ccc(OC)c(C)c1	ZINC000103988926	171296637	/nfs/dbraw/zinc/29/66/37/171296637.db2.gz	RVQIPFKFOIOAQX-GXTWGEPZSA-N	1	2	249.398	4.630	10	0		BJAELO
CC[C@H](C)C[C@H](CC)[NH2+]c1ccc(OC)c(C)c1	ZINC000103988932	171298963	/nfs/dbraw/zinc/29/89/63/171298963.db2.gz	RVQIPFKFOIOAQX-JSGCOSHPSA-N	1	2	249.398	4.630	10	0		BJAELO
CCC[C@@H](CC)Nc1[nH+]c2ccccc2cc1C	ZINC000104181156	169380475	/nfs/dbraw/zinc/38/04/75/169380475.db2.gz	HZRVSSQLVDMVIL-CQSZACIVSA-N	1	2	242.366	4.534	10	0		BJAELO
CC(C)(C)[C@@H]1CCc2ccccc2[N@H+]1C(C)(C)C	ZINC000143182855	374142315	/nfs/dbraw/zinc/14/23/15/374142315.db2.gz	UCRGXNVNIUZYGH-HNNXBMFYSA-N	1	2	245.410	4.652	10	0		BJAELO
CC(C)(C)[C@@H]1CCc2ccccc2[N@@H+]1C(C)(C)C	ZINC000143182855	374142310	/nfs/dbraw/zinc/14/23/10/374142310.db2.gz	UCRGXNVNIUZYGH-HNNXBMFYSA-N	1	2	245.410	4.652	10	0		BJAELO