smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC1CCC1)C(C)(C)C	217753872	344405707	/nfs/dbraw/zinc/40/57/07/344405707.db2.gz	IAZBMYONKCJTQW-UHFFFAOYSA-N	1	0	155.285	2.517	20	70		AFIDRO
CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCOC	217766102	344406309	/nfs/dbraw/zinc/40/63/09/344406309.db2.gz	OYPJIGIYBJCYCW-RYUDHWBXSA-N	1	0	199.338	2.533	20	70		AFIDRO
CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCOC	217766024	344406249	/nfs/dbraw/zinc/40/62/49/344406249.db2.gz	OYPJIGIYBJCYCW-NWDGAFQWSA-N	1	0	199.338	2.533	20	70		AFIDRO
CCCC[N@H+](CC)C1CCC1	218312515	344411422	/nfs/dbraw/zinc/41/14/22/344411422.db2.gz	UKSDKVUQJVQFKT-UHFFFAOYSA-N	1	0	155.285	2.661	20	70		AFIDRO
Cc1ccc(C[N@@H+](C)C(C)C)cc1	218418631	344412430	/nfs/dbraw/zinc/41/24/30/344412430.db2.gz	HEVBJMWRYZWYLZ-UHFFFAOYSA-N	1	0	177.291	2.835	20	70		AFIDRO
Cc1ccc(F)c(C[NH+]2CCCC2)c1	218773430	344416251	/nfs/dbraw/zinc/41/62/51/344416251.db2.gz	WZKOCNFRVOEANC-UHFFFAOYSA-N	1	0	193.265	2.730	20	70		AFIDRO
CCC[C@H](C)[N@H+](C)CC(C)C	218365776	409513792	/nfs/dbraw/zinc/51/37/92/409513792.db2.gz	VDHRWIGCKNFOPQ-JTQLQIEISA-N	1	0	157.301	2.763	20	70		AFIDRO
CC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1	218578461	409514084	/nfs/dbraw/zinc/51/40/84/409514084.db2.gz	YDFXMCPMZREVCH-OUAUKWLOSA-N	1	0	169.312	2.811	20	70		AFIDRO
CC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1	218578596	409514447	/nfs/dbraw/zinc/51/44/47/409514447.db2.gz	YDFXMCPMZREVCH-VWYCJHECSA-N	1	0	169.312	2.811	20	70		AFIDRO
CCC[C@@H](C)[N@H+](C)CC(C)C	218365705	409514711	/nfs/dbraw/zinc/51/47/11/409514711.db2.gz	VDHRWIGCKNFOPQ-SNVBAGLBSA-N	1	0	157.301	2.763	20	70		AFIDRO
Cc1ccoc1C[NH2+][C@@H](C)C1CCC1	160178432	538038424	/nfs/dbraw/zinc/03/84/24/538038424.db2.gz	PNAOODZCBHKUMX-JTQLQIEISA-N	1	0	193.290	2.866	20	70		AFIDRO
CCc1ccc(C[NH2+]C2(C)CCC2)o1	160006086	538039636	/nfs/dbraw/zinc/03/96/36/538039636.db2.gz	HCXBENUBNOLNBY-UHFFFAOYSA-N	1	0	193.290	2.874	20	70		AFIDRO
Cc1ccc(C[NH2+][C@@H](C)C2CCC2)o1	160179795	538042015	/nfs/dbraw/zinc/04/20/15/538042015.db2.gz	SOJGDISJNISNGR-JTQLQIEISA-N	1	0	193.290	2.866	20	70		AFIDRO
Cc1ccc(C[NH2+][C@H](C)C2CCC2)o1	160179930	538043006	/nfs/dbraw/zinc/04/30/06/538043006.db2.gz	SOJGDISJNISNGR-SNVBAGLBSA-N	1	0	193.290	2.866	20	70		AFIDRO
CCCC(C)(C)[NH2+]Cc1ccn(C)c1	160684015	538047599	/nfs/dbraw/zinc/04/75/99/538047599.db2.gz	UFBPTKDHDPRJBL-UHFFFAOYSA-N	1	0	194.322	2.693	20	70		AFIDRO
Cn1ccc(C[NH2+]CCC(C)(C)C)c1	160681754	538050432	/nfs/dbraw/zinc/05/04/32/538050432.db2.gz	HPTGUHHKKGNZKQ-UHFFFAOYSA-N	1	0	194.322	2.551	20	70		AFIDRO
CC(C)CC[NH2+][C@@H](C)c1cscn1	161132530	538053587	/nfs/dbraw/zinc/05/35/87/538053587.db2.gz	AIULZZPKJMXRFX-VIFPVBQESA-N	1	0	198.335	2.840	20	70		AFIDRO
CCC[C@H](C)[NH2+][C@H](C)c1cscn1	161126759	538053972	/nfs/dbraw/zinc/05/39/72/538053972.db2.gz	FWJYAEHRSALBMQ-DTWKUNHWSA-N	1	0	198.335	2.982	20	70		AFIDRO
CCCCC[NH2+][C@@H](C)c1cscn1	161134366	538054039	/nfs/dbraw/zinc/05/40/39/538054039.db2.gz	RZMKPRYYGVJAOW-VIFPVBQESA-N	1	0	198.335	2.984	20	70		AFIDRO
CCC[C@H](C)[NH2+][C@@H](C)c1cscn1	161126496	538055544	/nfs/dbraw/zinc/05/55/44/538055544.db2.gz	FWJYAEHRSALBMQ-IUCAKERBSA-N	1	0	198.335	2.982	20	70		AFIDRO
CCC[C@@H](C)[NH2+][C@H](C)c1cscn1	161126616	538056038	/nfs/dbraw/zinc/05/60/38/538056038.db2.gz	FWJYAEHRSALBMQ-RKDXNWHRSA-N	1	0	198.335	2.982	20	70		AFIDRO
CCC[C@@H](C)[NH2+][C@@H](C)c1cscn1	161126360	538056653	/nfs/dbraw/zinc/05/66/53/538056653.db2.gz	FWJYAEHRSALBMQ-BDAKNGLRSA-N	1	0	198.335	2.982	20	70		AFIDRO
CC(C)CC[NH2+][C@H](C)c1cscn1	161132668	538056987	/nfs/dbraw/zinc/05/69/87/538056987.db2.gz	AIULZZPKJMXRFX-SECBINFHSA-N	1	0	198.335	2.840	20	70		AFIDRO
CC[C@H](C)C[NH2+]C[C@@H](C)C1CC1	161495869	538057662	/nfs/dbraw/zinc/05/76/62/538057662.db2.gz	XXGXQPAOZUISLV-VHSXEESVSA-N	1	0	169.312	2.668	20	70		AFIDRO
CCC(CC)C[NH2+][C@@H]1CCCOCC1	161439254	538058418	/nfs/dbraw/zinc/05/84/18/538058418.db2.gz	CUMACRVYNWQZRY-GFCCVEGCSA-N	1	0	199.338	2.581	20	70		AFIDRO
CC(C)[C@@H](C)[NH2+][C@H](C)c1cscn1	161143144	538058576	/nfs/dbraw/zinc/05/85/76/538058576.db2.gz	VGRUCYKYOUXZBO-RKDXNWHRSA-N	1	0	198.335	2.838	20	70		AFIDRO
CCC(CC)C[NH2+][C@H]1CCO[C@@H](C)C1	161303278	538058629	/nfs/dbraw/zinc/05/86/29/538058629.db2.gz	VXIZQNDWBTWDQO-JQWIXIFHSA-N	1	0	199.338	2.580	20	70		AFIDRO
CC(C)(C)CC[NH2+][C@H]1CCCOCC1	161430244	538058647	/nfs/dbraw/zinc/05/86/47/538058647.db2.gz	VYCAYQKTTFEZJF-NSHDSACASA-N	1	0	199.338	2.581	20	70		AFIDRO
CC(C)[C@H](C)[NH2+][C@H](C)c1cscn1	161143259	538058687	/nfs/dbraw/zinc/05/86/87/538058687.db2.gz	VGRUCYKYOUXZBO-DTWKUNHWSA-N	1	0	198.335	2.838	20	70		AFIDRO
CCC(CC)C[NH2+][C@H]1CCCOCC1	161439390	538059021	/nfs/dbraw/zinc/05/90/21/538059021.db2.gz	CUMACRVYNWQZRY-LBPRGKRZSA-N	1	0	199.338	2.581	20	70		AFIDRO
CC[C@@H](C)C[NH2+]C[C@H](C)C1CC1	161495987	538059233	/nfs/dbraw/zinc/05/92/33/538059233.db2.gz	XXGXQPAOZUISLV-ZJUUUORDSA-N	1	0	169.312	2.668	20	70		AFIDRO
CC(C)(C)CC[NH2+][C@@H]1CCCOCC1	161430136	538059573	/nfs/dbraw/zinc/05/95/73/538059573.db2.gz	VYCAYQKTTFEZJF-LLVKDONJSA-N	1	0	199.338	2.581	20	70		AFIDRO
CC[C@@H](C)C[NH2+]C[C@@H](C)C1CC1	161495790	538059810	/nfs/dbraw/zinc/05/98/10/538059810.db2.gz	XXGXQPAOZUISLV-NXEZZACHSA-N	1	0	169.312	2.668	20	70		AFIDRO
C[C@@H]([NH2+]CC(C)(C)C)c1cscn1	161169524	538060026	/nfs/dbraw/zinc/06/00/26/538060026.db2.gz	LNEIYLIVNVNGBG-MRVPVSSYSA-N	1	0	198.335	2.840	20	70		AFIDRO
C[C@H]([NH2+]CC1CCC1)c1cscn1	161173245	538060042	/nfs/dbraw/zinc/06/00/42/538060042.db2.gz	VZWHDNJOFUBINH-QMMMGPOBSA-N	1	0	196.319	2.594	20	70		AFIDRO
CC[C@H](C)C[NH2+]C[C@H](C)C1CC1	161496110	538060276	/nfs/dbraw/zinc/06/02/76/538060276.db2.gz	XXGXQPAOZUISLV-UWVGGRQHSA-N	1	0	169.312	2.668	20	70		AFIDRO
CCC(CC)C[NH2+][C@H]1CCO[C@H](C)C1	161303051	538060321	/nfs/dbraw/zinc/06/03/21/538060321.db2.gz	VXIZQNDWBTWDQO-PWSUYJOCSA-N	1	0	199.338	2.580	20	70		AFIDRO
CCC(CC)C[NH2+][C@@H]1CCO[C@@H](C)C1	161303185	538060359	/nfs/dbraw/zinc/06/03/59/538060359.db2.gz	VXIZQNDWBTWDQO-CMPLNLGQSA-N	1	0	199.338	2.580	20	70		AFIDRO
C[C@H]([NH2+]CC(C)(C)C)c1cscn1	161169390	538060432	/nfs/dbraw/zinc/06/04/32/538060432.db2.gz	LNEIYLIVNVNGBG-QMMMGPOBSA-N	1	0	198.335	2.840	20	70		AFIDRO
CC(C)[C@H](C)[NH2+][C@@H](C)c1cscn1	161142995	538060525	/nfs/dbraw/zinc/06/05/25/538060525.db2.gz	VGRUCYKYOUXZBO-IUCAKERBSA-N	1	0	198.335	2.838	20	70		AFIDRO
CCC(CC)C[NH2+][C@@H]1CCO[C@H](C)C1	161302930	538060684	/nfs/dbraw/zinc/06/06/84/538060684.db2.gz	VXIZQNDWBTWDQO-ZYHUDNBSSA-N	1	0	199.338	2.580	20	70		AFIDRO
CC(C)[C@@H](C)[NH2+][C@@H](C)c1cscn1	161142862	538060727	/nfs/dbraw/zinc/06/07/27/538060727.db2.gz	VGRUCYKYOUXZBO-BDAKNGLRSA-N	1	0	198.335	2.838	20	70		AFIDRO
C[C@@H]([NH2+]CC1CCC1)c1cscn1	161173383	538060813	/nfs/dbraw/zinc/06/08/13/538060813.db2.gz	VZWHDNJOFUBINH-MRVPVSSYSA-N	1	0	196.319	2.594	20	70		AFIDRO
CCCCC[NH2+][C@H](C)c1cscn1	161134487	538060959	/nfs/dbraw/zinc/06/09/59/538060959.db2.gz	RZMKPRYYGVJAOW-SECBINFHSA-N	1	0	198.335	2.984	20	70		AFIDRO
CCC[NH2+][C@H](C)C1(OC)CCCCC1	160401897	486974455	/nfs/dbraw/zinc/97/44/55/486974455.db2.gz	XTDXMXZLKCDUKJ-LLVKDONJSA-N	1	0	199.338	2.724	20	70		AFIDRO
CCC[NH2+][C@@H](C)C1(OC)CCCCC1	160401783	486975366	/nfs/dbraw/zinc/97/53/66/486975366.db2.gz	XTDXMXZLKCDUKJ-NSHDSACASA-N	1	0	199.338	2.724	20	70		AFIDRO
CCC(CC)[NH2+]Cc1ccncc1C	160595011	486975907	/nfs/dbraw/zinc/97/59/07/486975907.db2.gz	VRQFVHCVXZMPGX-UHFFFAOYSA-N	1	0	192.306	2.668	20	70		AFIDRO
Cc1cnccc1C[NH2+]CC(C)(C)C	160596711	486976013	/nfs/dbraw/zinc/97/60/13/486976013.db2.gz	PQKWIOSEFVSEPP-UHFFFAOYSA-N	1	0	192.306	2.526	20	70		AFIDRO
CCCCC[NH2+]Cc1ccncc1C	160589883	486976022	/nfs/dbraw/zinc/97/60/22/486976022.db2.gz	ATKRZRVFQZYNRX-UHFFFAOYSA-N	1	0	192.306	2.670	20	70		AFIDRO
CCC[C@@H](C)[NH2+]Cc1ccncc1C	160595139	486976649	/nfs/dbraw/zinc/97/66/49/486976649.db2.gz	FHCFAKPRKJAQEG-LLVKDONJSA-N	1	0	192.306	2.668	20	70		AFIDRO
Cc1cnccc1C[NH2+]CCC(C)C	160593275	486976712	/nfs/dbraw/zinc/97/67/12/486976712.db2.gz	GSTBMYKXKZIBJZ-UHFFFAOYSA-N	1	0	192.306	2.526	20	70		AFIDRO
CCC[C@H](C)[NH2+]Cc1ccncc1C	160595232	486976734	/nfs/dbraw/zinc/97/67/34/486976734.db2.gz	FHCFAKPRKJAQEG-NSHDSACASA-N	1	0	192.306	2.668	20	70		AFIDRO
C[C@@H]([NH2+][C@H](C)C1CC1)c1cscn1	161144298	486978322	/nfs/dbraw/zinc/97/83/22/486978322.db2.gz	PCUVZHWGNMTHJU-HTQZYQBOSA-N	1	0	196.319	2.592	20	70		AFIDRO
CCSCC[C@H](C)[NH2+]CC(C)C	161061330	486978519	/nfs/dbraw/zinc/97/85/19/486978519.db2.gz	XRDDPMGFDLVYRB-JTQLQIEISA-N	1	0	189.368	2.764	20	70		AFIDRO
CCSCC[C@@H](C)[NH2+]CC(C)C	161061228	486978559	/nfs/dbraw/zinc/97/85/59/486978559.db2.gz	XRDDPMGFDLVYRB-SNVBAGLBSA-N	1	0	189.368	2.764	20	70		AFIDRO
C[C@H]([NH2+][C@@H](C)C1CC1)c1cscn1	161143890	486978653	/nfs/dbraw/zinc/97/86/53/486978653.db2.gz	PCUVZHWGNMTHJU-YUMQZZPRSA-N	1	0	196.319	2.592	20	70		AFIDRO
C[C@H]([NH2+][C@H](C)c1cscn1)C1CC1	161144022	486978833	/nfs/dbraw/zinc/97/88/33/486978833.db2.gz	PCUVZHWGNMTHJU-JGVFFNPUSA-N	1	0	196.319	2.592	20	70		AFIDRO
C[C@H]([NH2+][C@H](C)C1CC1)c1cscn1	161144172	486979184	/nfs/dbraw/zinc/97/91/84/486979184.db2.gz	PCUVZHWGNMTHJU-SFYZADRCSA-N	1	0	196.319	2.592	20	70		AFIDRO
CCC[NH2+]C(C1CCC1)C1CCC1	161369078	486979832	/nfs/dbraw/zinc/97/98/32/486979832.db2.gz	KSJLFBFEIXBDCC-UHFFFAOYSA-N	1	0	181.323	2.955	20	70		AFIDRO
C[N@H+](CC1CCCC1)C(C)(C)C	217754984	487028156	/nfs/dbraw/zinc/02/81/56/487028156.db2.gz	FPHCOJOLHBLVNJ-UHFFFAOYSA-N	1	0	169.312	2.907	20	70		AFIDRO
CCC[N@H+](CCC1CC1)C(C)C	217956581	487028267	/nfs/dbraw/zinc/02/82/67/487028267.db2.gz	UKZYMLMPDCJMJJ-UHFFFAOYSA-N	1	0	169.312	2.907	20	70		AFIDRO
CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(C)C	217983465	487028761	/nfs/dbraw/zinc/02/87/61/487028761.db2.gz	MCLVAIXVTDMMOW-QJPTWQEYSA-N	1	0	199.338	2.578	20	70		AFIDRO
CC(C)(C)OCCCC[NH+]1CCCC1	218439552	490070209	/nfs/dbraw/zinc/07/02/09/490070209.db2.gz	LUZSVNATKGTEMF-UHFFFAOYSA-N	1	0	199.338	2.678	20	70		AFIDRO
CC1CCC([N@H+](C)CC2CC2)CC1	218533482	490070256	/nfs/dbraw/zinc/07/02/56/490070256.db2.gz	ZRBDRYNUGMCAKJ-UHFFFAOYSA-N	1	0	181.323	2.907	20	70		AFIDRO