smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150945	518303871	/nfs/dbraw/zinc/30/38/71/518303871.db2.gz	WNHRMGIGBFXWLP-FQEVSTJZSA-N	0	3	413.518	2.399	10	30		HEEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1)CC2	ZINC000072161282	558540620	/nfs/dbraw/zinc/54/06/20/558540620.db2.gz	ITGSUHCRPLNCOM-SFHVURJKSA-N	0	3	402.491	2.477	10	30		HEEEHN
COc1cc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC	ZINC000006716416	536895681	/nfs/dbraw/zinc/89/56/81/536895681.db2.gz	PHJKYNSEJIZCAD-QGZVFWFLSA-N	0	3	419.485	2.261	10	30		HEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603466	569417095	/nfs/dbraw/zinc/41/70/95/569417095.db2.gz	GCGJWGDLHAFXQN-NRFANRHFSA-N	0	3	406.534	2.012	10	30		HEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603468	569417028	/nfs/dbraw/zinc/41/70/28/569417028.db2.gz	GCGJWGDLHAFXQN-OAQYLSRUSA-N	0	3	406.534	2.012	10	30		HEEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1)CC2	ZINC000072161283	558540664	/nfs/dbraw/zinc/54/06/64/558540664.db2.gz	ITGSUHCRPLNCOM-GOSISDBHSA-N	0	3	402.491	2.477	10	30		HEEEHN
N#Cc1cccc(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(COc3ccccc3)nn2)c1	ZINC000067899020	291211376	/nfs/dbraw/zinc/21/13/76/291211376.db2.gz	MVMFZUFFTZCSDY-MYDTUXCISA-N	0	3	417.469	2.226	10	30		HEEEHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150947	518311092	/nfs/dbraw/zinc/31/10/92/518311092.db2.gz	WNHRMGIGBFXWLP-HXUWFJFHSA-N	0	3	413.518	2.399	10	30		HEEEHN