smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000012948022	378869890	/nfs/dbraw/zinc/86/98/90/378869890.db2.gz	HFMXNESBOZNXPN-UHFFFAOYSA-N	-1	3	323.352	-0.247	50	5		DBBAHM
CC(=O)Nc1[n-]c2c(c(=O)c1[N+](=O)[O-])c(=O)n(C)c(=O)n2C	ZINC000022023391	663947489	/nfs/dbraw/zinc/94/74/89/663947489.db2.gz	BGZYCWZHVCHOBQ-UHFFFAOYSA-N	-1	3	309.238	-0.796	50	5		DBBAHM
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000004006979	181061431	/nfs/dbraw/zinc/06/14/31/181061431.db2.gz	QGKJFGGOQJLFAT-MRVPVSSYSA-N	-1	3	302.202	-0.120	50	5		DBBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1COCCN1	ZINC000236412776	375320516	/nfs/dbraw/zinc/32/05/16/375320516.db2.gz	BIDBKTBKHBGZDV-VIFPVBQESA-N	-1	3	301.324	-0.139	50	5		DBBAHM
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000000267316	285017348	/nfs/dbraw/zinc/01/73/48/285017348.db2.gz	VLRJULOEJLGVGG-UHFFFAOYSA-N	-1	3	302.202	-0.228	50	5		DBBAHM
Nc1nc(N2CCC[C@H](Cc3nnn[n-]3)C2)ncc1[N+](=O)[O-]	ZINC000952992353	809012937	/nfs/dbraw/zinc/01/29/37/809012937.db2.gz	KKIIHCKZOJZECT-SSDOTTSWSA-N	-1	3	305.302	-0.061	50	5		DBBAHM
Nc1nc(N2CCC[C@H](Cc3nn[n-]n3)C2)ncc1[N+](=O)[O-]	ZINC000952992353	809012944	/nfs/dbraw/zinc/01/29/44/809012944.db2.gz	KKIIHCKZOJZECT-SSDOTTSWSA-N	-1	3	305.302	-0.061	50	5		DBBAHM
COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000089396163	380148362	/nfs/dbraw/zinc/14/83/62/380148362.db2.gz	AVMYPYGQJIKRSX-QMMMGPOBSA-N	-1	3	304.280	-0.593	50	5		DBBAHM
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000004006980	181061317	/nfs/dbraw/zinc/06/13/17/181061317.db2.gz	QGKJFGGOQJLFAT-QMMMGPOBSA-N	-1	3	302.202	-0.120	50	5		DBBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1COCCN1	ZINC000236412764	375319829	/nfs/dbraw/zinc/31/98/29/375319829.db2.gz	BIDBKTBKHBGZDV-SECBINFHSA-N	-1	3	301.324	-0.139	50	5		DBBAHM
COC(=O)[C@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000089396159	380147495	/nfs/dbraw/zinc/14/74/95/380147495.db2.gz	AVMYPYGQJIKRSX-MRVPVSSYSA-N	-1	3	304.280	-0.593	50	5		DBBAHM
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000000059044	331458745	/nfs/dbraw/zinc/45/87/45/331458745.db2.gz	AQEIWTPHXYGWNO-UHFFFAOYSA-N	-1	3	302.202	-0.228	50	5		DBBAHM
Cn1c([O-])c([N+](=O)[O-])c(NCCCN2CCOCC2)nc1=O	ZINC000019800878	182151853	/nfs/dbraw/zinc/15/18/53/182151853.db2.gz	ZGDJNGDVZOEARZ-UHFFFAOYSA-N	-1	3	313.314	-0.884	50	5		DBBAHM
Cn1c(=O)[n-]c(NCCCN2CCOCC2)c([N+](=O)[O-])c1=O	ZINC000019800878	182151854	/nfs/dbraw/zinc/15/18/54/182151854.db2.gz	ZGDJNGDVZOEARZ-UHFFFAOYSA-N	-1	3	313.314	-0.884	50	5		DBBAHM
CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020275218	182202663	/nfs/dbraw/zinc/20/26/63/182202663.db2.gz	FBHBVRZYHZUKMP-UHFFFAOYSA-N	-1	3	323.352	-0.578	50	5		DBBAHM
O=c1[n-]c(=O)c2ccc3c(=O)n(CCO)c(=O)c4ccc1c2c43	ZINC000227116848	285195302	/nfs/dbraw/zinc/19/53/02/285195302.db2.gz	TWCXBXWZJZEFPK-UHFFFAOYSA-N	-1	3	310.265	-0.416	50	5		DBBAHM
Nc1nc(N2CCC[C@@H](Cc3nnn[n-]3)C2)ncc1[N+](=O)[O-]	ZINC000952992354	809012829	/nfs/dbraw/zinc/01/28/29/809012829.db2.gz	KKIIHCKZOJZECT-ZETCQYMHSA-N	-1	3	305.302	-0.061	50	5		DBBAHM
Nc1nc(N2CCC[C@@H](Cc3nn[n-]n3)C2)ncc1[N+](=O)[O-]	ZINC000952992354	809012833	/nfs/dbraw/zinc/01/28/33/809012833.db2.gz	KKIIHCKZOJZECT-ZETCQYMHSA-N	-1	3	305.302	-0.061	50	5		DBBAHM
CN([N-]S(=O)(=O)CS(C)(=O)=O)c1ncccc1[N+](=O)[O-]	ZINC000012369228	382561091	/nfs/dbraw/zinc/56/10/91/382561091.db2.gz	MZIVIPXKXJMQGX-UHFFFAOYSA-N	-1	3	324.340	-0.738	50	5		DBBAHM
O=C(COc1cccc([N+](=O)[O-])c1)Nc1c[nH]c(=O)[n-]c1=O	ZINC000000110472	374931858	/nfs/dbraw/zinc/93/18/58/374931858.db2.gz	XSMSLPLZFFVUCA-UHFFFAOYSA-N	-1	3	306.234	-0.011	50	5		DBBAHM
O=C1NCCN1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000111176	374932192	/nfs/dbraw/zinc/93/21/92/374932192.db2.gz	DQBDDUAIBWTFOX-UHFFFAOYSA-N	-1	3	314.323	-0.102	50	5		DBBAHM