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(=N\O)C(=O)NCC(=O)[O-]	25624238	166052877	/nfs/dbraw/zinc/05/28/77/166052877.db2.gz	XFGJGGZAHMFYOF-XVNBXDOJSA-N	-2	0	160.129	-0.963	40	30		ABEBRL
NN=C(CCC(=O)[O-])C(=O)[O-]	16136285	169134204	/nfs/dbraw/zinc/13/42/04/169134204.db2.gz	UBQPWSLEQQUDGG-XVNBXDOJSA-N	-2	0	160.129	-0.750	40	30		ABEBRL
[O-]/N=C/C1=NOC(=N/O)/C1=N\O	100922364	169314657	/nfs/dbraw/zinc/31/46/57/169314657.db2.gz	MUSJQOCVOMJUNH-MDYVDHJRSA-N	-2	0	172.100	-0.550	40	30		ABEBRL
O=C([O-])/C=C\C(=O)/C=C/C(=O)[O-]	33364673	169335134	/nfs/dbraw/zinc/33/51/34/169335134.db2.gz	FORGRSMNOFWNBO-HSFFGMMNSA-N	-2	0	170.120	-0.163	40	30		ABEBRL
O=C([O-])/C=C\C(=O)/C=C\C(=O)[O-]	33364672	169335303	/nfs/dbraw/zinc/33/53/03/169335303.db2.gz	FORGRSMNOFWNBO-CCAGOZQPSA-N	-2	0	170.120	-0.163	40	30		ABEBRL
O=C([O-])[C@@H](S)[C@H](S)C(=O)[O-]	3831474	169346107	/nfs/dbraw/zinc/34/61/07/169346107.db2.gz	ACTRVOBWPAIOHC-LWMBPPNESA-N	-2	0	182.222	-0.248	40	30	fda	ABEBRL
O=C([O-])[C@H](S)[C@@H](S)C(=O)[O-]	3831477	169351324	/nfs/dbraw/zinc/35/13/24/169351324.db2.gz	ACTRVOBWPAIOHC-JCYAYHJZSA-N	-2	0	182.222	-0.248	40	30	fda	ABEBRL
O=C([O-])CC/C(=N/O)C(=O)[O-]	4571134	171014027	/nfs/dbraw/zinc/01/40/27/171014027.db2.gz	RSXBEVMDACDZRB-UTCJRWHESA-N	-2	0	161.113	-0.234	40	30		ABEBRL
O=C([O-])c1cc(=O)cc(C(=O)[O-])[nH]1	63339321	171104559	/nfs/dbraw/zinc/10/45/59/171104559.db2.gz	WWUNWSVEUXGWJU-UHFFFAOYSA-N	-2	0	183.119	-0.547	40	30		ABEBRL
C#CCOCCC(C(=O)[O-])C(=O)[O-]	1639911	171207344	/nfs/dbraw/zinc/20/73/44/171207344.db2.gz	UDXRDDHVDRHIQY-UHFFFAOYSA-N	-2	0	186.163	-0.188	40	30		ABEBRL
Cc1c(C#N)c([O-])[n-]c(=O)c1CCO	16951272	343044947	/nfs/dbraw/zinc/04/49/47/343044947.db2.gz	AYYACMVBGCDRQV-UHFFFAOYSA-N	-2	0	194.190	-0.205	40	30		ABEBRL
O=P([O-])([O-])NCCS	95079751	351667970	/nfs/dbraw/zinc/66/79/70/351667970.db2.gz	JHBJEBQVXQFYOL-UHFFFAOYSA-N	-2	0	157.131	-0.402	40	30		ABEBRL