smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)cn2cc(-c3cccc([N+](=O)[O-])c3)[nH+]c12	ZINC000040383950	213294748	/nfs/dbraw/zinc/29/47/48/213294748.db2.gz	NQHKURAZVSINTH-UHFFFAOYSA-N	1	2	332.157	3.980	10	5		EHBELO
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1	ZINC000588437054	1022272159	/nfs/dbraw/zinc/27/21/59/1022272159.db2.gz	BGPLVRDQFOVSFM-KAMYIIQDSA-N	1	2	348.362	3.823	10	5		EHBELO
O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ncc(-c2ccccc2)cn1	ZINC000185868365	1026068171	/nfs/dbraw/zinc/06/81/71/1026068171.db2.gz	OGQYDCZWCAVQBI-UXBLZVDNSA-N	1	2	346.390	3.855	10	5		EHBELO
COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1	ZINC000103465405	1037899990	/nfs/dbraw/zinc/89/99/90/1037899990.db2.gz	KNPSFPMZXFLPKY-LLVKDONJSA-N	1	2	334.347	3.602	10	5		EHBELO
Cc1cc(Br)cn2cc(-c3ccc([N+](=O)[O-])cc3)[nH+]c12	ZINC000040383947	213294290	/nfs/dbraw/zinc/29/42/90/213294290.db2.gz	YSHAAKKPGVUAPG-UHFFFAOYSA-N	1	2	332.157	3.980	10	5		EHBELO
Cc1ccc2c(Nc3ncnc(OC(C)C)c3[N+](=O)[O-])cccc2[nH+]1	ZINC000040659703	213365311	/nfs/dbraw/zinc/36/53/11/213365311.db2.gz	WYTXXIBTFJOZSY-UHFFFAOYSA-N	1	2	339.355	3.772	10	5		EHBELO
Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cs1	ZINC000189774702	1140362909	/nfs/dbraw/zinc/36/29/09/1140362909.db2.gz	CFCHUZXYNVVBRG-AWEZNQCLSA-N	1	2	333.413	3.576	10	5		EHBELO
Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cs1	ZINC000189774702	1140362912	/nfs/dbraw/zinc/36/29/12/1140362912.db2.gz	CFCHUZXYNVVBRG-AWEZNQCLSA-N	1	2	333.413	3.576	10	5		EHBELO
Cc1cc(Oc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc(C)c1Cl	ZINC000040660368	213365412	/nfs/dbraw/zinc/36/54/12/213365412.db2.gz	GHXMADIOFPQREY-UHFFFAOYSA-N	1	2	345.746	3.633	10	5		EHBELO
O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000102639247	1018564979	/nfs/dbraw/zinc/56/49/79/1018564979.db2.gz	RWUWCVMSATWYKL-UHFFFAOYSA-N	1	2	347.334	3.719	10	5		EHBELO
O=[N+]([O-])c1c(Oc2cccc3ccccc32)ncnc1-n1cc[nH+]c1	ZINC000040583601	213353956	/nfs/dbraw/zinc/35/39/56/213353956.db2.gz	IAZLLWBBVIQQHU-UHFFFAOYSA-N	1	2	333.307	3.516	10	5		EHBELO
Nc1ccc(SCc2ccc([N+](=O)[O-])cc2Br)c[nH+]1	ZINC000037516493	213152779	/nfs/dbraw/zinc/15/27/79/213152779.db2.gz	YJXWASDRNGXDCX-UHFFFAOYSA-N	1	2	340.202	3.627	10	5		EHBELO
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C	ZINC000588436404	1022254215	/nfs/dbraw/zinc/25/42/15/1022254215.db2.gz	WAZWAZOSDHOOLX-BENRWUELSA-N	1	2	325.368	3.957	10	5		EHBELO
O=[N+]([O-])c1c(Oc2ccc3ccccc3c2)ncnc1-n1cc[nH+]c1	ZINC000040586734	213355644	/nfs/dbraw/zinc/35/56/44/213355644.db2.gz	CTXGVJFAENCHDQ-UHFFFAOYSA-N	1	2	333.307	3.516	10	5		EHBELO
COc1ccc(OC)c([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1	ZINC000103465402	1037898101	/nfs/dbraw/zinc/89/81/01/1037898101.db2.gz	KNPSFPMZXFLPKY-NSHDSACASA-N	1	2	334.347	3.602	10	5		EHBELO