smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C[C@@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831153	573567195	/nfs/dbraw/zinc/56/71/95/573567195.db2.gz	JNTXQPSUGGOYQT-YUMQZZPRSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@@H]1CCC[N@H+]1C)[N+](=O)[O-]	257831153	573567198	/nfs/dbraw/zinc/56/71/98/573567198.db2.gz	JNTXQPSUGGOYQT-YUMQZZPRSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC1=C[C@@H]2CC([N+](=O)[O-])CC[C@@H]2[NH2+]1	687727418	571891534	/nfs/dbraw/zinc/89/15/34/571891534.db2.gz	NXUJKBCGSBRJTE-VGMNWLOBSA-N	1	3	182.223	1.307	10	5		ADBEHO
CC1=C[C@@H]2CC([N+](=O)[O-])CC[C@@H]2[NH2+]1	687727415	571892731	/nfs/dbraw/zinc/89/27/31/571892731.db2.gz	NXUJKBCGSBRJTE-HLTSFMKQSA-N	1	3	182.223	1.307	10	5		ADBEHO
CC1=C[C@@H]2CC([N+](=O)[O-])CC[C@H]2[NH2+]1	687727417	571893088	/nfs/dbraw/zinc/89/30/88/571893088.db2.gz	NXUJKBCGSBRJTE-IWSPIJDZSA-N	1	3	182.223	1.307	10	5		ADBEHO
CC1=C[C@@H]2CC([N+](=O)[O-])CC[C@H]2[NH2+]1	687727416	571893292	/nfs/dbraw/zinc/89/32/92/571893292.db2.gz	NXUJKBCGSBRJTE-HRDYMLBCSA-N	1	3	182.223	1.307	10	5		ADBEHO
CCC[C@@H]([NH3+])C(CC)[N+](=O)[O-]	238226003	572383921	/nfs/dbraw/zinc/38/39/21/572383921.db2.gz	ZQNIJNMAHULERT-RQJHMYQMSA-N	1	3	160.217	1.169	10	5		ADBEHO
CCC[C@@H]([NH3+])C(CC)[N+](=O)[O-]	238225170	572389246	/nfs/dbraw/zinc/38/92/46/572389246.db2.gz	ZQNIJNMAHULERT-RNFRBKRXSA-N	1	3	160.217	1.169	10	5		ADBEHO
CCC[C@H]([NH3+])C(CC)[N+](=O)[O-]	238240548	572441129	/nfs/dbraw/zinc/44/11/29/572441129.db2.gz	ZQNIJNMAHULERT-BQBZGAKWSA-N	1	3	160.217	1.169	10	5		ADBEHO
CCC[C@H]([NH3+])C(CC)[N+](=O)[O-]	238239880	572441479	/nfs/dbraw/zinc/44/14/79/572441479.db2.gz	ZQNIJNMAHULERT-NKWVEPMBSA-N	1	3	160.217	1.169	10	5		ADBEHO
CC(C)(N)C[N+]1(C)CCCCC1	118616726	573416000	/nfs/dbraw/zinc/41/60/00/573416000.db2.gz	CKSLQXFCDQYJKU-UHFFFAOYSA-N	1	3	171.308	1.354	10	5		ADBEHO
CC(C[C@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831148	573564317	/nfs/dbraw/zinc/56/43/17/573564317.db2.gz	JNTXQPSUGGOYQT-HTQZYQBOSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@H]1CCC[N@H+]1C)[N+](=O)[O-]	257831148	573564323	/nfs/dbraw/zinc/56/43/23/573564323.db2.gz	JNTXQPSUGGOYQT-HTQZYQBOSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831151	573564725	/nfs/dbraw/zinc/56/47/25/573564725.db2.gz	JNTXQPSUGGOYQT-SFYZADRCSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@@H]1CCC[N@H+]1C)[N+](=O)[O-]	257831151	573564728	/nfs/dbraw/zinc/56/47/28/573564728.db2.gz	JNTXQPSUGGOYQT-SFYZADRCSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@H]1CCC[N@@H+]1C)[N+](=O)[O-]	257831150	573566942	/nfs/dbraw/zinc/56/69/42/573566942.db2.gz	JNTXQPSUGGOYQT-JGVFFNPUSA-N	1	3	172.228	1.136	10	5		ADBEHO
CC(C[C@H]1CCC[N@H+]1C)[N+](=O)[O-]	257831150	573566948	/nfs/dbraw/zinc/56/69/48/573566948.db2.gz	JNTXQPSUGGOYQT-JGVFFNPUSA-N	1	3	172.228	1.136	10	5		ADBEHO
O=[N+]([O-])C1C[NH2+]C[C@@H]1c1ccccc1	584648910	346742057	/nfs/dbraw/zinc/74/20/57/346742057.db2.gz	XWYURMIHBITIGG-ZJUUUORDSA-N	1	3	192.218	1.019	10	5		ADBEHO
C[N+]1(C)CC=C(N2CCCCC2)CC1	101111257	717144631	/nfs/dbraw/zinc/14/46/31/717144631.db2.gz	AYEMZWRGUYTFPS-UHFFFAOYSA-N	1	3	195.330	1.836	10	5		ADBEHO