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([O-])c1ccccc1C([O-])=C[N+](=O)[O-]	ZINC000003161411	344532394	/nfs/dbraw/zinc/53/23/94/344532394.db2.gz	ADEFZUOQYBQDFV-UHFFFAOYSA-N	-2	0	209.157	0.844	40	30		BCEBRL
O=C([O-])C/N=C\c1ccc(/C=N\CC(=O)[O-])cc1	ZINC000101547898	187362454	/nfs/dbraw/zinc/36/24/54/187362454.db2.gz	RZJYVLITXPMXSZ-GFIWHYBVSA-N	-2	0	248.238	0.694	40	30		BCEBRL
C=CCOC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002042724	355915635	/nfs/dbraw/zinc/91/56/35/355915635.db2.gz	VXKAKRMYPYKDEB-ZCFIWIBFSA-N	-2	0	231.204	0.217	40	30		BCEBRL
O=C([O-])c1ccc(NC(=O)/C=N\[O-])cc1O	ZINC000008617578	384205494	/nfs/dbraw/zinc/20/54/94/384205494.db2.gz	GHBJTHIBGSFFIJ-WMZJFQQLSA-N	-2	0	224.172	0.489	40	30		BCEBRL
O=C([O-])C(=NNc1ccccc1)C(=O)[O-]	ZINC000002571340	383978918	/nfs/dbraw/zinc/97/89/18/383978918.db2.gz	HTIRYCBOOVHGKR-UHFFFAOYSA-N	-2	0	208.173	0.624	40	30		BCEBRL
CC(C)(S)[C@@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000005497090	187247492	/nfs/dbraw/zinc/24/74/92/187247492.db2.gz	OPHPNLXFQZTAQY-VKHMYHEASA-N	-2	0	245.222	0.827	40	30		BCEBRL
O=C([O-])CC[C@H](NC(=S)[S-])C(=O)[O-]	ZINC000005828392	182451926	/nfs/dbraw/zinc/45/19/26/182451926.db2.gz	SAOZKHJCFQSMFB-VKHMYHEASA-N	-3	0	223.275	0.520	40	30		BCEBRL
O=C([O-])CCC(=NNc1ccccn1)C(=O)[O-]	ZINC000095095491	388759307	/nfs/dbraw/zinc/75/93/07/388759307.db2.gz	GJYSVWMOPPSVQZ-KPKJPENVSA-N	-2	0	237.215	0.799	40	30		BCEBRL
CC([O-])=C1C(=O)CC(C)(C(=O)[O-])CC1=O	ZINC000002244330	383956981	/nfs/dbraw/zinc/95/69/81/383956981.db2.gz	WNTRFUJLEUZOAI-UHFFFAOYSA-N	-2	0	212.201	0.841	40	30		BCEBRL
N#CCCN(CCC#N)[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001676480	342708371	/nfs/dbraw/zinc/70/83/71/342708371.db2.gz	GNVTYGNEZLLRIK-MRVPVSSYSA-N	-2	0	239.231	0.044	40	30		BCEBRL
O=C([O-])C1CC(=O)C(=C([O-])C2CC2)C(=O)C1	ZINC000002525436	342722426	/nfs/dbraw/zinc/72/24/26/342722426.db2.gz	DFFWZNDCNBOKDI-UHFFFAOYSA-N	-2	0	224.212	0.841	40	30	in-vitro	BCEBRL
O=C([O-])C(=O)C=C([O-])c1cccc(O)c1	ZINC000006732169	384165055	/nfs/dbraw/zinc/16/50/55/384165055.db2.gz	BKMYVWDEXQTAGB-YVMONPNESA-N	-2	0	208.169	0.945	40	30		BCEBRL
O=C([O-])C1(C(=O)[O-])CC2(CC(=NO)C2)C1	ZINC000096528024	384655608	/nfs/dbraw/zinc/65/56/08/384655608.db2.gz	BMYYSTNLRUEMCW-UHFFFAOYSA-N	-2	0	213.189	0.546	40	30		BCEBRL
N#CCCN(CCC#N)[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002045496	383947389	/nfs/dbraw/zinc/94/73/89/383947389.db2.gz	GNVTYGNEZLLRIK-QMMMGPOBSA-N	-2	0	239.231	0.044	40	30		BCEBRL
C=CCOC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001683189	188159655	/nfs/dbraw/zinc/15/96/55/188159655.db2.gz	VXKAKRMYPYKDEB-LURJTMIESA-N	-2	0	231.204	0.217	40	30		BCEBRL
N#Cc1cn(C2(C(=O)[O-])CCCC2)c(=O)[n-]c1=O	ZINC000504439987	226345054	/nfs/dbraw/zinc/34/50/54/226345054.db2.gz	XBIQEYZUZJXDFY-UHFFFAOYSA-N	-2	0	249.226	0.174	40	30		BCEBRL
O=C([O-])c1ccc(NC(=O)/C=N/[O-])cc1O	ZINC000034175904	181851311	/nfs/dbraw/zinc/85/13/11/181851311.db2.gz	GHBJTHIBGSFFIJ-ONNFQVAWSA-N	-2	0	224.172	0.489	40	30		BCEBRL