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]1CN([SiH3])C[C@H](C)O1	584623869	490153830	/nfs/dbraw/zinc/15/38/30/490153830.db2.gz	ZMZLYAVDMDKCMW-WDSKDSINSA-N	0	3	145.278	-0.624	10	70		ABIEHN
C[C@H]1CN([SiH3])C[C@@H](C)O1	584623867	490153903	/nfs/dbraw/zinc/15/39/03/490153903.db2.gz	ZMZLYAVDMDKCMW-OLQVQODUSA-N	0	3	145.278	-0.624	10	70		ABIEHN
C[C@@H]1CN([SiH3])C[C@@H](C)O1	584623868	490154128	/nfs/dbraw/zinc/15/41/28/490154128.db2.gz	ZMZLYAVDMDKCMW-PHDIDXHHSA-N	0	3	145.278	-0.624	10	70		ABIEHN
C=C[SiH2]C(N(C)C)N(C)C	216111917	166221937	/nfs/dbraw/zinc/22/19/37/166221937.db2.gz	JMDFGGJQZUPENI-UHFFFAOYSA-N	0	3	158.321	-0.295	10	70		ABIEHN
CN1CCC[C@@]2(CC1)OC(N)=NC2=O	160758571	344177056	/nfs/dbraw/zinc/17/70/56/344177056.db2.gz	JAKGNQIQGJJTCK-VIFPVBQESA-N	0	3	197.238	-0.288	10	70		ABIEHN
CN1CCC[C@]2(CC1)OC(N)=NC2=O	160758458	344177270	/nfs/dbraw/zinc/17/72/70/344177270.db2.gz	JAKGNQIQGJJTCK-SECBINFHSA-N	0	3	197.238	-0.288	10	70		ABIEHN
C[C@@H]1C[C@@]2(CCN1C)OC(N)=NC2=O	160784336	344177668	/nfs/dbraw/zinc/17/76/68/344177668.db2.gz	HNWFRFJZQXGDAR-HZGVNTEJSA-N	0	3	197.238	-0.289	10	70		ABIEHN
C[C@H]1C[C@@]2(CCN1C)OC(N)=NC2=O	160784446	344177798	/nfs/dbraw/zinc/17/77/98/344177798.db2.gz	HNWFRFJZQXGDAR-IMTBSYHQSA-N	0	3	197.238	-0.289	10	70		ABIEHN
C[C@H]1C[C@]2(CCN1C)OC(N)=NC2=O	160784203	344177828	/nfs/dbraw/zinc/17/78/28/344177828.db2.gz	HNWFRFJZQXGDAR-RCOVLWMOSA-N	0	3	197.238	-0.289	10	70		ABIEHN
C[C@@H]1C[C@]2(CCN1C)OC(N)=NC2=O	160784082	344177920	/nfs/dbraw/zinc/17/79/20/344177920.db2.gz	HNWFRFJZQXGDAR-MUWHJKNJSA-N	0	3	197.238	-0.289	10	70		ABIEHN
COCCN(CCO)C[C@H](C)CO	160939211	538052349	/nfs/dbraw/zinc/05/23/49/538052349.db2.gz	MCLACDBHFLLUFF-VIFPVBQESA-N	0	3	191.271	-0.445	10	70		ABIEHN
COCCN(CCO)C[C@@H](C)CO	160939339	538056551	/nfs/dbraw/zinc/05/65/51/538056551.db2.gz	MCLACDBHFLLUFF-SECBINFHSA-N	0	3	191.271	-0.445	10	70		ABIEHN
COCCN(CCO)[C@@H]1CCOC1	161348245	538058792	/nfs/dbraw/zinc/05/87/92/538058792.db2.gz	RRLYTMKJMWZHLJ-SECBINFHSA-N	0	3	189.255	-0.284	10	70		ABIEHN
COCCN(CCO)[C@H]1CCOC1	161348364	538060780	/nfs/dbraw/zinc/06/07/80/538060780.db2.gz	RRLYTMKJMWZHLJ-VIFPVBQESA-N	0	3	189.255	-0.284	10	70		ABIEHN
CC(C)OCCN(C)C[C@@H](O)CO	216743941	572002566	/nfs/dbraw/zinc/00/25/66/572002566.db2.gz	XETMRXFQATYECO-SECBINFHSA-N	0	3	191.271	-0.304	10	70		ABIEHN
CC(C)OCCN(C)C[C@H](O)CO	216743896	572001985	/nfs/dbraw/zinc/00/19/85/572001985.db2.gz	XETMRXFQATYECO-VIFPVBQESA-N	0	3	191.271	-0.304	10	70		ABIEHN
CCC[C@H](O)CNC(=O)[C@@H](C)NC	217962635	487028757	/nfs/dbraw/zinc/02/87/57/487028757.db2.gz	OBEUYQHGCMGWLH-SFYZADRCSA-N	0	3	188.271	-0.129	10	70		ABIEHN
C[C@@H](CO)N(C)C[C@@H]1CCC(=O)N1	218149989	487028894	/nfs/dbraw/zinc/02/88/94/487028894.db2.gz	BRNFTGDYCBRIBY-YUMQZZPRSA-N	0	3	186.255	-0.422	10	70		ABIEHN
CCC[C@@H](O)CNC(=O)[C@@H](C)NC	217962542	487028990	/nfs/dbraw/zinc/02/89/90/487028990.db2.gz	OBEUYQHGCMGWLH-HTQZYQBOSA-N	0	3	188.271	-0.129	10	70		ABIEHN