smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(O)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1	ZINC000103214771	185816797	/nfs/dbraw/zinc/81/67/97/185816797.db2.gz	ZXBGQLHLFVKRTB-UHFFFAOYSA-N	-1	0	266.169	0.271	1	10		CCCFRM
CN(C)/N=N/c1ccc(S(=O)(=O)[N-]n2cnnc2)cc1	ZINC000169322955	188658028	/nfs/dbraw/zinc/65/80/28/188658028.db2.gz	IWUJQCAUAGEWLE-BUHFOSPRSA-N	-1	0	295.328	0.771	1	10		CCCFRM
Cc1cccnc1NC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000005931426	170157080	/nfs/dbraw/zinc/15/70/80/170157080.db2.gz	PWVMFLMXBKQUDV-SOFGYWHQSA-N	-1	0	260.253	0.394	1	10		CCCFRM
C[C@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@@H]1C(=O)[O-]	ZINC000095910071	560059140	/nfs/dbraw/zinc/05/91/40/560059140.db2.gz	MFQVELSUFGMXTC-KTCWOMIQSA-N	-1	0	254.194	0.531	1	10	biogenic,in-vitro	CCCFRM
O=C([O-])[C@@H](O)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000014720063	290816152	/nfs/dbraw/zinc/81/61/52/290816152.db2.gz	ADAGLACISJLISN-FWEMWIAWSA-N	-1	0	254.194	0.057	1	10	biogenic,in-vitro	CCCFRM
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000002380203	169788762	/nfs/dbraw/zinc/78/87/62/169788762.db2.gz	ILJBOVQNAKDIKN-SBMIAAHKSA-N	-1	0	294.332	0.872	1	10		CCCFRM