smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3s2)c1	ZINC000004777807	170015695	/nfs/dbraw/zinc/01/56/95/170015695.db2.gz	NJTASTNGXOTNOF-UHFFFAOYSA-N	0	2	272.285	3.577	50	5		CHBALN
O=[N+]([O-])c1cc(/C=C/c2nc3ccccc3o2)ccc1O	ZINC000057457384	567158349	/nfs/dbraw/zinc/15/83/49/567158349.db2.gz	DAPWHIUSFHZTMY-SOFGYWHQSA-N	0	2	282.255	3.612	50	5		CHBALN
CC(=O)C[C@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	ZINC000000051717	567905699	/nfs/dbraw/zinc/90/56/99/567905699.db2.gz	RHRITGKYHQRCMF-SJORKVTESA-N	0	2	283.327	3.767	50	5		CHBALN
O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1O	ZINC000033903531	567931299	/nfs/dbraw/zinc/93/12/99/567931299.db2.gz	LXSUPDDEYFDPFW-UHFFFAOYSA-N	0	2	272.285	3.577	50	5		CHBALN
CC(=O)C[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	ZINC000000051714	567906036	/nfs/dbraw/zinc/90/60/36/567906036.db2.gz	RHRITGKYHQRCMF-DLBZAZTESA-N	0	2	283.327	3.767	50	5		CHBALN
Oc1c2nc3ccccc3n2c2ccccc2c1Cl	ZINC000001314836	336119247	/nfs/dbraw/zinc/11/92/47/336119247.db2.gz	LSYGWBTWODHSLF-UHFFFAOYSA-N	0	2	268.703	4.000	50	5		CHBALN
CC(=O)C[C@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	ZINC000000051715	567906015	/nfs/dbraw/zinc/90/60/15/567906015.db2.gz	RHRITGKYHQRCMF-IAGOWNOFSA-N	0	2	283.327	3.767	50	5		CHBALN
CC(=O)C[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	ZINC000000051716	567905958	/nfs/dbraw/zinc/90/59/58/567905958.db2.gz	RHRITGKYHQRCMF-IRXDYDNUSA-N	0	2	283.327	3.767	50	5		CHBALN
Cc1cccc2c1[nH+]c1c(C)cccc1c2C(=O)[O-]	ZINC000004087069	567855188	/nfs/dbraw/zinc/85/51/88/567855188.db2.gz	LDRZBMBJYZPRFT-UHFFFAOYSA-N	0	2	251.285	3.703	50	5		CHBALN
O=[N+]([O-])c1cc(/C=C\c2nc3ccccc3o2)ccc1O	ZINC000097993374	230389102	/nfs/dbraw/zinc/38/91/02/230389102.db2.gz	DAPWHIUSFHZTMY-VURMDHGXSA-N	0	2	282.255	3.612	50	5		CHBALN
O=C(CCC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000020028307	567125673	/nfs/dbraw/zinc/12/56/73/567125673.db2.gz	MRGCFCUFFBBWIP-UHFFFAOYSA-N	0	2	292.335	3.599	50	5		CHBALN