smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccoc1C[N@H+](C)CC[N+](=O)[O-]	930556049	674053170	/nfs/dbraw/zinc/05/31/70/674053170.db2.gz	ZXNFGDCTUAAIFF-UHFFFAOYSA-N	1	2	198.222	1.297	20	5		ADBDLO
Cc1ccoc1C[N@@H+](C)CC[N+](=O)[O-]	930556049	674053175	/nfs/dbraw/zinc/05/31/75/674053175.db2.gz	ZXNFGDCTUAAIFF-UHFFFAOYSA-N	1	2	198.222	1.297	20	5		ADBDLO
CC(C)(C)c1cn(CC[N+](=O)[O-])c[nH+]1	899894411	582564424	/nfs/dbraw/zinc/56/44/24/582564424.db2.gz	ZOTDJEJUWGHZIC-UHFFFAOYSA-N	1	2	197.238	1.457	20	5		ADBDLO
O=[N+]([O-])c1cnc(-n2cc[nH+]c2)s1	196126440	582677698	/nfs/dbraw/zinc/67/76/98/582677698.db2.gz	LLYWXVAXNZRRJR-UHFFFAOYSA-N	1	2	196.191	1.237	20	5		ADBDLO
C[C@H](c1ccco1)[N@H+](C)CC[N+](=O)[O-]	791052088	582911552	/nfs/dbraw/zinc/91/15/52/582911552.db2.gz	KPMLHZAEFMJEDM-MRVPVSSYSA-N	1	2	198.222	1.549	20	5		ADBDLO
C[C@H](c1ccco1)[N@@H+](C)CC[N+](=O)[O-]	791052088	582911554	/nfs/dbraw/zinc/91/15/54/582911554.db2.gz	KPMLHZAEFMJEDM-MRVPVSSYSA-N	1	2	198.222	1.549	20	5		ADBDLO
O=[N+]([O-])CC[NH+]1Cc2ccccc2C1	791052010	582911574	/nfs/dbraw/zinc/91/15/74/582911574.db2.gz	JWMQBGOKGMGQQX-UHFFFAOYSA-N	1	2	192.218	1.279	20	5		ADBDLO
C[C@@H](c1ccco1)[N@H+](C)CC[N+](=O)[O-]	791052093	582912111	/nfs/dbraw/zinc/91/21/11/582912111.db2.gz	KPMLHZAEFMJEDM-QMMMGPOBSA-N	1	2	198.222	1.549	20	5		ADBDLO
C[C@@H](c1ccco1)[N@@H+](C)CC[N+](=O)[O-]	791052093	582912113	/nfs/dbraw/zinc/91/21/13/582912113.db2.gz	KPMLHZAEFMJEDM-QMMMGPOBSA-N	1	2	198.222	1.549	20	5		ADBDLO
C[NH2+]Cc1ccc(O)c([N+](=O)[O-])c1	19776788	168017673	/nfs/dbraw/zinc/01/76/73/168017673.db2.gz	OJQSQAYGVDTCRH-UHFFFAOYSA-N	1	2	182.179	1.020	20	5		ADBDLO
O=[N+]([O-])c1sccc1-n1cc[nH+]c1	34618943	171056614	/nfs/dbraw/zinc/05/66/14/171056614.db2.gz	PZCRQHOHILROIX-UHFFFAOYSA-N	1	2	195.203	1.842	20	5		ADBDLO
O=[N+]([O-])c1ncccc1-n1cc[nH+]c1	95929604	171140670	/nfs/dbraw/zinc/14/06/70/171140670.db2.gz	DAACQIXILSSENH-UHFFFAOYSA-N	1	2	190.162	1.176	20	5		ADBDLO
O=[N+]([O-])c1cc(-n2cc[nH+]c2)ccn1	95929814	171140678	/nfs/dbraw/zinc/14/06/78/171140678.db2.gz	NJSMRKRJTNODRX-UHFFFAOYSA-N	1	2	190.162	1.176	20	5		ADBDLO
CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1	118418797	343775687	/nfs/dbraw/zinc/77/56/87/343775687.db2.gz	OZNOXKROZMEYCR-UHFFFAOYSA-N	1	2	192.218	1.930	20	5		ADBDLO
CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1	118418797	343775688	/nfs/dbraw/zinc/77/56/88/343775688.db2.gz	OZNOXKROZMEYCR-UHFFFAOYSA-N	1	2	192.218	1.930	20	5		ADBDLO
O=[N+]([O-])c1ccsc1-n1cc[nH+]c1	146062184	344038342	/nfs/dbraw/zinc/03/83/42/344038342.db2.gz	WSHFDJWXBSEUSO-UHFFFAOYSA-N	1	2	195.203	1.842	20	5		ADBDLO
CC[N@H+](CC[N+](=O)[O-])Cc1ccoc1	929477867	631093684	/nfs/dbraw/zinc/09/36/84/631093684.db2.gz	JCFWZPOHNFUQQM-UHFFFAOYSA-N	1	2	198.222	1.378	20	5		ADBDLO
CC[N@@H+](CC[N+](=O)[O-])Cc1ccoc1	929477867	631093685	/nfs/dbraw/zinc/09/36/85/631093685.db2.gz	JCFWZPOHNFUQQM-UHFFFAOYSA-N	1	2	198.222	1.378	20	5		ADBDLO