smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001293814063	1066322278	/nfs/dbraw/zinc/32/22/78/1066322278.db2.gz	DGGYWQWXZHZRMW-UHFFFAOYSA-N	0	2	455.858	2.738	20	5		JFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)C(C)C)cc1	ZINC001294015957	1066510074	/nfs/dbraw/zinc/51/00/74/1066510074.db2.gz	CSYONLOQJLBJNZ-LJQANCHMSA-N	0	2	451.501	2.805	20	5		JFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)C(C)C)cc1	ZINC001294015956	1066510038	/nfs/dbraw/zinc/51/00/38/1066510038.db2.gz	CSYONLOQJLBJNZ-IBGZPJMESA-N	0	2	451.501	2.805	20	5		JFBDLN
CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1	ZINC001264166394	1059530400	/nfs/dbraw/zinc/53/04/00/1059530400.db2.gz	ZXXMXAJWRKFXQS-IEBWSBKVSA-N	0	2	462.528	2.946	20	5		JFBDLN
Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cn1	ZINC001295030141	1062832631	/nfs/dbraw/zinc/83/26/31/1062832631.db2.gz	SMYOLXZOJNNSLO-UHFFFAOYSA-N	0	2	455.905	2.774	20	5		JFBDLN
O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC001287532123	1062967372	/nfs/dbraw/zinc/96/73/72/1062967372.db2.gz	SCTGXKYYMSTVHB-UHFFFAOYSA-N	0	2	452.324	2.745	20	5		JFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2C)c1	ZINC001293901803	1066394975	/nfs/dbraw/zinc/39/49/75/1066394975.db2.gz	YCJCWQLOTRRLJF-CYBMUJFWSA-N	0	2	451.526	2.982	20	5		JFBDLN
COCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F	ZINC001292383809	1065126308	/nfs/dbraw/zinc/12/63/08/1065126308.db2.gz	QBMXMGAYFNATPO-UHFFFAOYSA-N	0	2	455.464	2.652	20	5		JFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2C)c1	ZINC001293901806	1066395091	/nfs/dbraw/zinc/39/50/91/1066395091.db2.gz	YCJCWQLOTRRLJF-ZDUSSCGKSA-N	0	2	451.526	2.982	20	5		JFBDLN
COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1	ZINC001290041391	1061757290	/nfs/dbraw/zinc/75/72/90/1061757290.db2.gz	YDHYYFOYXKCZPY-ZIAGYGMSSA-N	0	2	470.301	2.862	20	5		JFBDLN
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1	ZINC001290936285	1062811446	/nfs/dbraw/zinc/81/14/46/1062811446.db2.gz	KJMBOBIHARLKHL-UHFFFAOYSA-N	0	2	458.265	2.862	20	5		JFBDLN