smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccoc1CN[C@@H](C)C1CCC1	160178432	538038446	/nfs/dbraw/zinc/03/84/46/538038446.db2.gz	PNAOODZCBHKUMX-JTQLQIEISA-N	0	3	193.290	2.866	20	70		AFIDHN
CCc1ccc(CNC2(C)CCC2)o1	160006086	538039649	/nfs/dbraw/zinc/03/96/49/538039649.db2.gz	HCXBENUBNOLNBY-UHFFFAOYSA-N	0	3	193.290	2.874	20	70		AFIDHN
Cc1ccc(CN[C@@H](C)C2CCC2)o1	160179795	538042026	/nfs/dbraw/zinc/04/20/26/538042026.db2.gz	SOJGDISJNISNGR-JTQLQIEISA-N	0	3	193.290	2.866	20	70		AFIDHN
Cc1ccc(CN[C@H](C)C2CCC2)o1	160179930	538043014	/nfs/dbraw/zinc/04/30/14/538043014.db2.gz	SOJGDISJNISNGR-SNVBAGLBSA-N	0	3	193.290	2.866	20	70		AFIDHN
CC(C)CCN[C@@H](C)c1cscn1	161132530	538053598	/nfs/dbraw/zinc/05/35/98/538053598.db2.gz	AIULZZPKJMXRFX-VIFPVBQESA-N	0	3	198.335	2.840	20	70		AFIDHN
CCC[C@H](C)N[C@H](C)c1cscn1	161126759	538053982	/nfs/dbraw/zinc/05/39/82/538053982.db2.gz	FWJYAEHRSALBMQ-DTWKUNHWSA-N	0	3	198.335	2.982	20	70		AFIDHN
CCCCCN[C@@H](C)c1cscn1	161134366	538054056	/nfs/dbraw/zinc/05/40/56/538054056.db2.gz	RZMKPRYYGVJAOW-VIFPVBQESA-N	0	3	198.335	2.984	20	70		AFIDHN
CCC[C@@H](C)N[C@H](C)c1cscn1	161126616	538056056	/nfs/dbraw/zinc/05/60/56/538056056.db2.gz	FWJYAEHRSALBMQ-RKDXNWHRSA-N	0	3	198.335	2.982	20	70		AFIDHN
CCC[C@H](C)N[C@@H](C)c1cscn1	161126496	538055554	/nfs/dbraw/zinc/05/55/54/538055554.db2.gz	FWJYAEHRSALBMQ-IUCAKERBSA-N	0	3	198.335	2.982	20	70		AFIDHN
CCC[C@@H](C)N[C@@H](C)c1cscn1	161126360	538056661	/nfs/dbraw/zinc/05/66/61/538056661.db2.gz	FWJYAEHRSALBMQ-BDAKNGLRSA-N	0	3	198.335	2.982	20	70		AFIDHN
CC(C)CCN[C@H](C)c1cscn1	161132668	538056992	/nfs/dbraw/zinc/05/69/92/538056992.db2.gz	AIULZZPKJMXRFX-SECBINFHSA-N	0	3	198.335	2.840	20	70		AFIDHN
CC(C)[C@@H](C)N[C@H](C)c1cscn1	161143144	538058582	/nfs/dbraw/zinc/05/85/82/538058582.db2.gz	VGRUCYKYOUXZBO-RKDXNWHRSA-N	0	3	198.335	2.838	20	70		AFIDHN
CC(C)[C@H](C)N[C@H](C)c1cscn1	161143259	538058690	/nfs/dbraw/zinc/05/86/90/538058690.db2.gz	VGRUCYKYOUXZBO-DTWKUNHWSA-N	0	3	198.335	2.838	20	70		AFIDHN
C[C@@H](NCC(C)(C)C)c1cscn1	161169524	538060036	/nfs/dbraw/zinc/06/00/36/538060036.db2.gz	LNEIYLIVNVNGBG-MRVPVSSYSA-N	0	3	198.335	2.840	20	70		AFIDHN
C[C@H](NCC1CCC1)c1cscn1	161173245	538060055	/nfs/dbraw/zinc/06/00/55/538060055.db2.gz	VZWHDNJOFUBINH-QMMMGPOBSA-N	0	3	196.319	2.594	20	70		AFIDHN
C[C@H](NCC(C)(C)C)c1cscn1	161169390	538060440	/nfs/dbraw/zinc/06/04/40/538060440.db2.gz	LNEIYLIVNVNGBG-QMMMGPOBSA-N	0	3	198.335	2.840	20	70		AFIDHN
CC(C)[C@H](C)N[C@@H](C)c1cscn1	161142995	538060532	/nfs/dbraw/zinc/06/05/32/538060532.db2.gz	VGRUCYKYOUXZBO-IUCAKERBSA-N	0	3	198.335	2.838	20	70		AFIDHN
CC(C)[C@@H](C)N[C@@H](C)c1cscn1	161142862	538060734	/nfs/dbraw/zinc/06/07/34/538060734.db2.gz	VGRUCYKYOUXZBO-BDAKNGLRSA-N	0	3	198.335	2.838	20	70		AFIDHN
C[C@@H](NCC1CCC1)c1cscn1	161173383	538060823	/nfs/dbraw/zinc/06/08/23/538060823.db2.gz	VZWHDNJOFUBINH-MRVPVSSYSA-N	0	3	196.319	2.594	20	70		AFIDHN
CCCCCN[C@H](C)c1cscn1	161134487	538060967	/nfs/dbraw/zinc/06/09/67/538060967.db2.gz	RZMKPRYYGVJAOW-SECBINFHSA-N	0	3	198.335	2.984	20	70		AFIDHN
C[C@@H](N[C@H](C)C1CC1)c1cscn1	161144298	486978331	/nfs/dbraw/zinc/97/83/31/486978331.db2.gz	PCUVZHWGNMTHJU-HTQZYQBOSA-N	0	3	196.319	2.592	20	70		AFIDHN
C[C@H](N[C@@H](C)C1CC1)c1cscn1	161143890	486978665	/nfs/dbraw/zinc/97/86/65/486978665.db2.gz	PCUVZHWGNMTHJU-YUMQZZPRSA-N	0	3	196.319	2.592	20	70		AFIDHN
C[C@H](N[C@H](C)c1cscn1)C1CC1	161144022	486978839	/nfs/dbraw/zinc/97/88/39/486978839.db2.gz	PCUVZHWGNMTHJU-JGVFFNPUSA-N	0	3	196.319	2.592	20	70		AFIDHN
C[C@H](N[C@H](C)C1CC1)c1cscn1	161144172	486979188	/nfs/dbraw/zinc/97/91/88/486979188.db2.gz	PCUVZHWGNMTHJU-SFYZADRCSA-N	0	3	196.319	2.592	20	70		AFIDHN
C[C@H]1CN(CCC(C)(C)C)[C@@H](C)CO1	218469764	344412830	/nfs/dbraw/zinc/41/28/30/344412830.db2.gz	ZAVMMBLCNXXIQD-QWRGUYRKSA-N	0	3	199.338	2.532	20	70		AFIDHN
Cc1ccc(F)c(CN2CCCC2)c1	218773430	344416252	/nfs/dbraw/zinc/41/62/52/344416252.db2.gz	WZKOCNFRVOEANC-UHFFFAOYSA-N	0	3	193.265	2.730	20	70		AFIDHN