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(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1	ZINC000096493107	442143474	/nfs/dbraw/zinc/14/34/74/442143474.db2.gz	UXSFAXNNBWFJKK-UHFFFAOYSA-N	2	2	343.387	1.639	50	5		EDBALP
Cc1cccc(N2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)[nH+]1	ZINC000096445730	442134369	/nfs/dbraw/zinc/13/43/69/442134369.db2.gz	YMZMJGKWIDZUEN-CQSZACIVSA-N	2	2	330.392	1.705	50	5		EDBALP
Cc1cccc(N2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)[nH+]1	ZINC000096445730	442134372	/nfs/dbraw/zinc/13/43/72/442134372.db2.gz	YMZMJGKWIDZUEN-CQSZACIVSA-N	2	2	330.392	1.705	50	5		EDBALP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000079050337	217181839	/nfs/dbraw/zinc/18/18/39/217181839.db2.gz	VYSCHNLVHZZYBS-UHFFFAOYSA-N	2	2	348.447	1.622	50	5		EDBALP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000079050337	217181840	/nfs/dbraw/zinc/18/18/40/217181840.db2.gz	VYSCHNLVHZZYBS-UHFFFAOYSA-N	2	2	348.447	1.622	50	5		EDBALP
O=[N+]([O-])c1ccccc1C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC000004703462	210252896	/nfs/dbraw/zinc/25/28/96/210252896.db2.gz	AVBSRQKFYQUYQC-UHFFFAOYSA-N	2	2	348.447	1.169	50	5		EDBALP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000090550798	441633783	/nfs/dbraw/zinc/63/37/83/441633783.db2.gz	BCXZENPDFWRTAQ-OAHLLOKOSA-N	2	2	334.420	1.564	50	5		EDBALP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000090550798	441633785	/nfs/dbraw/zinc/63/37/85/441633785.db2.gz	BCXZENPDFWRTAQ-OAHLLOKOSA-N	2	2	334.420	1.564	50	5		EDBALP
O=[N+]([O-])c1cccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)c1	ZINC000096402928	442113009	/nfs/dbraw/zinc/11/30/09/442113009.db2.gz	CIIWCIPRCSCQBE-UHFFFAOYSA-N	2	2	348.447	1.169	50	5		EDBALP
Cc1nc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1	ZINC000183810765	534757540	/nfs/dbraw/zinc/75/75/40/534757540.db2.gz	TWVIJCXZJFOGRD-UHFFFAOYSA-N	2	2	343.387	1.894	50	5		EDBALP
C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000070015053	441104248	/nfs/dbraw/zinc/10/42/48/441104248.db2.gz	VEQQCPJPNXVNJJ-AWEZNQCLSA-N	2	2	347.419	1.885	50	5		EDBALP
C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000070015053	441104249	/nfs/dbraw/zinc/10/42/49/441104249.db2.gz	VEQQCPJPNXVNJJ-AWEZNQCLSA-N	2	2	347.419	1.885	50	5		EDBALP
Cc1cc(N2CCC([NH3+])(CO)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000089600671	441563387	/nfs/dbraw/zinc/56/33/87/441563387.db2.gz	XDKNHOOKWKVZTQ-UHFFFAOYSA-N	2	2	343.387	1.650	50	5		EDBALP
C[N@H+](CCCO)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000089346041	441540266	/nfs/dbraw/zinc/54/02/66/441540266.db2.gz	JISFUBALRZTSPT-UHFFFAOYSA-N	2	2	337.420	1.752	50	5		EDBALP
C[N@@H+](CCCO)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000089346041	441540271	/nfs/dbraw/zinc/54/02/71/441540271.db2.gz	JISFUBALRZTSPT-UHFFFAOYSA-N	2	2	337.420	1.752	50	5		EDBALP
O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)cc1	ZINC000000316678	440814108	/nfs/dbraw/zinc/81/41/08/440814108.db2.gz	MWVHMMRIEBETGI-UHFFFAOYSA-N	2	2	348.447	1.169	50	5		EDBALP