smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CC[N@H+]2CC1CC1	ZINC000040429650	213302559	/nfs/dbraw/zinc/30/25/59/213302559.db2.gz	GCFPNZRENRSQOW-UTLVKMTRSA-N	1	1	343.427	2.628	1	5		EFBFMO
O=C(C[NH+]1CCCCC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12	ZINC000013524033	201898724	/nfs/dbraw/zinc/89/87/24/201898724.db2.gz	SCZSIXGKCNCNDL-UHFFFAOYSA-N	1	1	336.395	2.913	1	5		EFBFMO
Cc1[nH+]ccn1-c1nc(NCc2ccc(F)cc2)nc(C)c1[N+](=O)[O-]	ZINC000028821411	202177472	/nfs/dbraw/zinc/17/74/72/202177472.db2.gz	YBEOBUAYNIUWON-UHFFFAOYSA-N	1	1	342.334	2.939	1	5		EFBFMO
c1ccc2c(c1)nc1c3ccccc3nc(CC[NH+]3CCOCC3)n21	ZINC000031848099	202211216	/nfs/dbraw/zinc/21/12/16/202211216.db2.gz	BGIKIKHAMSSRFR-UHFFFAOYSA-N	1	1	332.407	2.910	1	5		EFBFMO
C[N@H+]1CCc2cc([N+](=O)[O-])c([O-])cc2[C@H](c2cccc3c2OCC3)C1	ZINC000004631755	201360676	/nfs/dbraw/zinc/36/06/76/201360676.db2.gz	XZPSYCOYKJRHKE-INIZCTEOSA-N	1	1	340.379	2.855	1	5	in-vitro	EFBFMO
O=C(C[NH+]1CCCCC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1	ZINC000013524028	581101322	/nfs/dbraw/zinc/10/13/22/581101322.db2.gz	PJPHOHZVHAHBCW-UHFFFAOYSA-N	1	1	336.395	2.913	1	5		EFBFMO
Cn1c2ccncc2c2cc(C(=O)NCC[NH+](C)C)c3ncccc3c21	ZINC000096921184	218899891	/nfs/dbraw/zinc/89/98/91/218899891.db2.gz	NVYQHNMJDNJPCO-UHFFFAOYSA-N	1	1	347.422	2.566	1	5		EFBFMO
Cc1[nH+]ccn1-c1nc(N[C@H]2CC=CC[C@H]2C)nc(C)c1[N+](=O)[O-]	ZINC000028821466	202177713	/nfs/dbraw/zinc/17/77/13/202177713.db2.gz	LZMXEGIDZRPZTR-MFKMUULPSA-N	1	1	328.376	2.954	1	5		EFBFMO
COc1ccc2c(c1)oc1ccc(CN3CC[NH+](C)CC3)cc1c2=O	ZINC000096927925	218900675	/nfs/dbraw/zinc/90/06/75/218900675.db2.gz	KAAQWTLIDPSPCK-UHFFFAOYSA-N	1	1	338.407	2.702	1	5		EFBFMO
NCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2	ZINC000045495804	717130088	/nfs/dbraw/zinc/13/00/88/717130088.db2.gz	DEDANTMTMALIQM-UHFFFAOYSA-N	1	1	337.487	2.882	1	5		EFBFMO
CS(=O)(=O)Nc1ccc2cc3ccc4c(c3[nH+]c2c1)COCN4	ZINC000028021997	202163794	/nfs/dbraw/zinc/16/37/94/202163794.db2.gz	IBHBQNQYGLOBPA-UHFFFAOYSA-N	1	1	329.381	2.659	1	5		EFBFMO
Cc1[nH+]ccn1-c1nc(N[C@H]2CC=CC[C@@H]2C)nc(C)c1[N+](=O)[O-]	ZINC000028821465	202177872	/nfs/dbraw/zinc/17/78/72/202177872.db2.gz	LZMXEGIDZRPZTR-GWCFXTLKSA-N	1	1	328.376	2.954	1	5		EFBFMO
Cc1[nH+]ccn1-c1nc(N(C)Cc2ccccc2)nc(C)c1[N+](=O)[O-]	ZINC000003923352	210093757	/nfs/dbraw/zinc/09/37/57/210093757.db2.gz	ODUYIJQNFGQGOG-UHFFFAOYSA-N	1	1	338.371	2.824	1	5		EFBFMO