smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2c(cc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc3c(c1)OCO3)c2=O	ZINC000217368454	569879928	/nfs/dbraw/zinc/87/99/28/569879928.db2.gz	DAWHFJMVWWCEIH-ZXGKGEBGSA-N	0	0	472.446	0.930	50	70	biogenic	JCIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000217893754	569882050	/nfs/dbraw/zinc/88/20/50/569882050.db2.gz	JFPFTPVBPNZAAI-IBGZPJMESA-N	0	0	460.494	0.708	50	70	biogenic	JCIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000218019904	569882432	/nfs/dbraw/zinc/88/24/32/569882432.db2.gz	BKVRHMLMZLXXCY-PXNSSMCTSA-N	0	0	464.478	0.638	50	70	biogenic	JCIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000218019987	569882421	/nfs/dbraw/zinc/88/24/21/569882421.db2.gz	BKVRHMLMZLXXCY-FXAWDEMLSA-N	0	0	464.478	0.638	50	70	biogenic	JCIARN
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)CC1	ZINC000218160661	569882931	/nfs/dbraw/zinc/88/29/31/569882931.db2.gz	ANYNZYORWUYKIJ-HXUWFJFHSA-N	0	0	454.508	0.905	50	70		JCIARN
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)CC1	ZINC000218160745	569882921	/nfs/dbraw/zinc/88/29/21/569882921.db2.gz	ANYNZYORWUYKIJ-FQEVSTJZSA-N	0	0	454.508	0.905	50	70		JCIARN
NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000218163876	569882911	/nfs/dbraw/zinc/88/29/11/569882911.db2.gz	PBVNPIXBIKWWRP-IBGZPJMESA-N	0	0	469.523	0.985	50	70		JCIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000218276107	569883251	/nfs/dbraw/zinc/88/32/51/569883251.db2.gz	DOGMTBUHQUSGIG-SFHVURJKSA-N	0	0	460.512	0.860	50	70		JCIARN
Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1	ZINC000218281249	569883225	/nfs/dbraw/zinc/88/32/25/569883225.db2.gz	JKIWPXNNCHFYTQ-KRWDZBQOSA-N	0	0	474.543	0.390	50	70		JCIARN