smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(S(=O)(=O)c2c3c(c(OC)c4c2CCN(C)C4=O)OCO3)CC1	ZINC000217951634	568920707	/nfs/dbraw/zinc/92/07/07/568920707.db2.gz	QGUWWGXOTIAQCS-UHFFFAOYSA-N	1	2	411.480	0.378	50	70	biogenic	HCIALO
Cn1cc(S(=O)(=O)Nc2nc3ccccc3[nH]c2=NN2CC[NH+](C)CC2)cn1	ZINC000217975942	568921808	/nfs/dbraw/zinc/92/18/08/568921808.db2.gz	WTTUOHRWPGYTSO-UHFFFAOYSA-N	1	2	402.484	0.738	50	70		HCIALO
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCC[NH+]1CCOCC1	ZINC000218328106	568929225	/nfs/dbraw/zinc/92/92/25/568929225.db2.gz	MSYDFDAUCODBCV-SFHVURJKSA-N	1	2	413.478	0.469	50	70		HCIALO
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCC[NH+]1CCOCC1	ZINC000218549241	568881200	/nfs/dbraw/zinc/88/12/00/568881200.db2.gz	RAZYWIOFBWDOCL-BFUOFWGJSA-N	1	2	407.492	0.722	50	70		HCIALO
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCC[NH+]3CCOCC3)CS[C@@H]21	ZINC000218549304	568881269	/nfs/dbraw/zinc/88/12/69/568881269.db2.gz	RAZYWIOFBWDOCL-YJYMSZOUSA-N	1	2	407.492	0.722	50	70		HCIALO
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC[NH+]3CCOCC3)CS[C@H]21	ZINC000218549390	568881202	/nfs/dbraw/zinc/88/12/02/568881202.db2.gz	RAZYWIOFBWDOCL-ORAYPTAESA-N	1	2	407.492	0.722	50	70		HCIALO
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC[NH+]3CCOCC3)CS[C@@H]21	ZINC000218549471	568881212	/nfs/dbraw/zinc/88/12/12/568881212.db2.gz	RAZYWIOFBWDOCL-DJJJIMSYSA-N	1	2	407.492	0.722	50	70		HCIALO