smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[Si](C)(C)OCC1CC[NH+](CCCC(=O)[O-])CC1	ZINC001602921488	971879629	/nfs/dbraw/zinc/87/96/29/971879629.db2.gz	VGLXSTUTYNBYGU-UHFFFAOYSA-N	0	0	315.530	3.585	20	50		DHGDRN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@@H+]1CCCCC(=O)[O-]	ZINC001590451184	990011723	/nfs/dbraw/zinc/01/17/23/990011723.db2.gz	DWYWXBAZFVELKM-AWEZNQCLSA-N	0	0	315.530	3.728	20	50		DHGDRN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@@H+]1CCCCC(=O)[O-]	ZINC001590451185	990012145	/nfs/dbraw/zinc/01/21/45/990012145.db2.gz	DWYWXBAZFVELKM-CQSZACIVSA-N	0	0	315.530	3.728	20	50		DHGDRN
C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001588728043	983979565	/nfs/dbraw/zinc/97/95/65/983979565.db2.gz	BHBGRKACVDOJPZ-KBPBESRZSA-N	0	0	313.514	3.502	20	50		DHGDRN
C[N@H+](CC(=O)[O-])Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	ZINC001604113817	972516204	/nfs/dbraw/zinc/51/62/04/972516204.db2.gz	FWHSKXBFLFJHJB-UHFFFAOYSA-N	0	0	323.509	3.725	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)n1	ZINC000820197822	945373198	/nfs/dbraw/zinc/37/31/98/945373198.db2.gz	NSRKMEAQXFNMBT-NTUHNPAUSA-N	0	0	322.397	3.511	20	50		DHGDRN
C[N@H+](CCO[Si](C)(C)C(C)(C)C)Cc1cccc(C(=O)[O-])c1	ZINC001598497722	992386389	/nfs/dbraw/zinc/38/63/89/992386389.db2.gz	CVLQMHWIFUSCRR-UHFFFAOYSA-N	0	0	323.509	3.838	20	50		DHGDRN
CC(C)(C)[Si](C)(C)OCC[NH+]1CCC(CCC(=O)[O-])CC1	ZINC001590451820	990015804	/nfs/dbraw/zinc/01/58/04/990015804.db2.gz	SLROYTPDUBXWKH-UHFFFAOYSA-N	0	0	315.530	3.585	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)n1	ZINC000820197157	945372003	/nfs/dbraw/zinc/37/20/03/945372003.db2.gz	GWMLIXVPZMZMCG-QPEQYQDCSA-N	0	0	322.397	3.511	20	50		DHGDRN
CC[C@H](C(=O)[O-])[NH+]1CCC(CO[Si](C)(C)C(C)(C)C)CC1	ZINC001603503542	973474709	/nfs/dbraw/zinc/47/47/09/973474709.db2.gz	QEPHAEVBMFGOQL-CQSZACIVSA-N	0	0	315.530	3.583	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)n1	ZINC000824352843	607884637	/nfs/dbraw/zinc/88/46/37/607884637.db2.gz	PTBSQAFLLBEEMC-KPKJPENVSA-N	0	0	322.397	3.511	20	50		DHGDRN
CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1CCCC(=O)[O-]	ZINC001573463034	958924106	/nfs/dbraw/zinc/92/41/06/958924106.db2.gz	WCJAJXLUXXDKCJ-CQSZACIVSA-N	0	0	315.530	3.728	20	50		DHGDRN
C=CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001588728046	983979803	/nfs/dbraw/zinc/97/98/03/983979803.db2.gz	BHBGRKACVDOJPZ-ZIAGYGMSSA-N	0	0	313.514	3.502	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)n1	ZINC000820197151	945372512	/nfs/dbraw/zinc/37/25/12/945372512.db2.gz	GWMLIXVPZMZMCG-NTUHNPAUSA-N	0	0	322.397	3.511	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)n1	ZINC000820197823	945373303	/nfs/dbraw/zinc/37/33/03/945373303.db2.gz	NSRKMEAQXFNMBT-QPEQYQDCSA-N	0	0	322.397	3.511	20	50		DHGDRN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1CCCC(=O)[O-]	ZINC001573463033	958924511	/nfs/dbraw/zinc/92/45/11/958924511.db2.gz	WCJAJXLUXXDKCJ-AWEZNQCLSA-N	0	0	315.530	3.728	20	50		DHGDRN
C=CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001588728045	983979842	/nfs/dbraw/zinc/97/98/42/983979842.db2.gz	BHBGRKACVDOJPZ-UONOGXRCSA-N	0	0	313.514	3.502	20	50		DHGDRN
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)n1	ZINC000824352837	607884438	/nfs/dbraw/zinc/88/44/38/607884438.db2.gz	PTBSQAFLLBEEMC-GHXNOFRVSA-N	0	0	322.397	3.511	20	50		DHGDRN
CC[C@@H](C(=O)[O-])[NH+]1CCC(CO[Si](C)(C)C(C)(C)C)CC1	ZINC001603503541	973474836	/nfs/dbraw/zinc/47/48/36/973474836.db2.gz	QEPHAEVBMFGOQL-AWEZNQCLSA-N	0	0	315.530	3.583	20	50		DHGDRN
C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001588728044	983979587	/nfs/dbraw/zinc/97/95/87/983979587.db2.gz	BHBGRKACVDOJPZ-KGLIPLIRSA-N	0	0	313.514	3.502	20	50		DHGDRN