smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC=C([O-])c1nc(C(=O)[O-])cs1	757124044	582457586	/nfs/dbraw/zinc/45/75/86/582457586.db2.gz	NNPOOLYYXJVQNT-UHFFFAOYSA-N	-2	3	196.187	0.938	50	30		ACEAHL
C/C(=N\[O-])c1cc(C(=O)[O-])c[nH]c1=O	100059121	166054047	/nfs/dbraw/zinc/05/40/47/166054047.db2.gz	KFURRWDJWCFZDN-ONNFQVAWSA-N	-2	3	196.162	0.271	50	30		ACEAHL
C=CCP(=O)([O-])[O-]	25695689	166198282	/nfs/dbraw/zinc/19/82/82/166198282.db2.gz	RZKYDQNMAUSEDZ-UHFFFAOYSA-N	-2	3	122.060	0.350	50	30	in-vitro	ACEAHL
CC(/C=N/[O-])=N\N=C(C)\C=N\[O-]	102967653	166230645	/nfs/dbraw/zinc/23/06/45/166230645.db2.gz	NYVNCKYWGBTIGE-JMFUVXGRSA-N	-2	3	170.172	0.743	50	30		ACEAHL
COc1c([O-])cc(C(=O)[O-])cc1C#N	26578186	168226855	/nfs/dbraw/zinc/22/68/55/168226855.db2.gz	OAVDWAYIRGAPCO-UHFFFAOYSA-N	-2	3	193.158	0.971	50	30		ACEAHL
N#Cc1cc(C(=O)[O-])ccc1[O-]	15021584	169115884	/nfs/dbraw/zinc/11/58/84/169115884.db2.gz	KUCSFDLSLAVLBY-UHFFFAOYSA-N	-2	3	163.132	0.962	50	30	in-vitro	ACEAHL
N#Cc1ccc(C(=O)[O-])cc1[O-]	14443328	169120206	/nfs/dbraw/zinc/12/02/06/169120206.db2.gz	PAVYLTWYIJWKFM-UHFFFAOYSA-N	-2	3	163.132	0.962	50	30	in-vitro	ACEAHL
[O-]/N=C/c1ccc(/C=N/[O-])o1	492793	169314527	/nfs/dbraw/zinc/31/45/27/169314527.db2.gz	AAAGIOMGFBVBMR-FCXRPNKRSA-N	-2	3	154.125	0.896	50	30		ACEAHL
O=C([O-])COc1ccc(/C=N/[O-])cc1	2747289	169341745	/nfs/dbraw/zinc/34/17/45/169341745.db2.gz	MGXCJULNFVTIHE-BJMVGYQFSA-N	-2	3	195.174	0.958	50	30		ACEAHL
O=C([O-])c1ccc(/C=N/[O-])nc1	6889213	169357592	/nfs/dbraw/zinc/35/75/92/169357592.db2.gz	QUNZFENYFPTWOD-RUDMXATFSA-N	-2	3	166.136	0.588	50	30		ACEAHL
O=C([O-])/C(=N\[O-])c1ccccc1	2523011	171005960	/nfs/dbraw/zinc/00/59/60/171005960.db2.gz	NRNOFFFWOYJUCR-CLFYSBASSA-N	-2	3	165.148	0.950	50	30		ACEAHL
O=[N+]([O-])c1cc(/C=N/[O-])cc(O)c1[O-]	78496489	171120591	/nfs/dbraw/zinc/12/05/91/171120591.db2.gz	HJFJEIWJTUESEW-FPYGCLRLSA-N	-2	3	198.134	0.814	50	30		ACEAHL
O=C([O-])CO/N=C/c1ccccc1[O-]	3167342	171163893	/nfs/dbraw/zinc/16/38/93/171163893.db2.gz	BFOXFTVQNCHKJJ-BJMVGYQFSA-N	-2	3	195.174	0.827	50	30		ACEAHL
Cc1[n-]oc(=O)c1CC(=O)[O-]	100571842	343718884	/nfs/dbraw/zinc/71/88/84/343718884.db2.gz	ZPCMDJHCJUQSQQ-BYPYZUCNSA-N	-2	3	157.125	0.010	50	30		ACEAHL
Cc1[n-]oc(=O)c1CC(=O)[O-]	100571839	343718992	/nfs/dbraw/zinc/71/89/92/343718992.db2.gz	ZPCMDJHCJUQSQQ-SCSAIBSYSA-N	-2	3	157.125	0.010	50	30		ACEAHL
CC(=N[O-])c1cc(C(=O)[O-])c[nH]c1=O	254629527	344935965	/nfs/dbraw/zinc/93/59/65/344935965.db2.gz	KFURRWDJWCFZDN-UHFFFAOYSA-N	-2	3	196.162	0.684	50	30		ACEAHL