smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(N2C(=O)[N-]C(=O)C(=O)C2=O)cc1	ZINC000001666458	132314473	/nfs/dbraw/zinc/31/44/73/132314473.db2.gz	OWZLYLVDNRVMRI-UHFFFAOYSA-N	-1	0	233.183	-0.579	40	10		BBCBRM
[NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015034	342714408	/nfs/dbraw/zinc/71/44/08/342714408.db2.gz	QXWYKJLNLSIPIN-YUMQZZPRSA-N	-1	0	213.189	-0.457	40	10		BBCBRM
[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015035	342714485	/nfs/dbraw/zinc/71/44/85/342714485.db2.gz	QXWYKJLNLSIPIN-SFYZADRCSA-N	-1	0	213.189	-0.457	40	10	fda	BBCBRM
[NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1	ZINC000002015036	342714482	/nfs/dbraw/zinc/71/44/82/342714482.db2.gz	QXWYKJLNLSIPIN-HTQZYQBOSA-N	-1	0	213.189	-0.457	40	10		BBCBRM
O=C1[N-]C(=O)C(=Cc2ccc(O)cc2O)C(=O)N1	ZINC000005455961	348873980	/nfs/dbraw/zinc/87/39/80/348873980.db2.gz	XGRANFKYXNDTDO-UHFFFAOYSA-N	-1	0	248.194	-0.153	40	10		BBCBRM
NC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000005889902	181260271	/nfs/dbraw/zinc/26/02/71/181260271.db2.gz	WUCHZONHZFBAJS-LURJTMIESA-N	-1	0	240.215	-0.238	40	10		BBCBRM
NC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000005889912	181261688	/nfs/dbraw/zinc/26/16/88/181261688.db2.gz	WUCHZONHZFBAJS-ZCFIWIBFSA-N	-1	0	240.215	-0.238	40	10		BBCBRM
Nc1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006045439	342773117	/nfs/dbraw/zinc/77/31/17/342773117.db2.gz	UZWDYERSXPFDLN-UHFFFAOYSA-N	-1	0	246.226	-0.069	40	10		BBCBRM
O=c1[n-]onc1NN=Nc1no[nH]c1=O	ZINC000008927047	183310015	/nfs/dbraw/zinc/31/00/15/183310015.db2.gz	YBBKSZWEPYUONQ-UHFFFAOYSA-N	-1	0	213.113	-0.025	40	10		BBCBRM
O=C1[N-]C(=O)C(=Cc2cccnc2)C(=O)N1	ZINC000015886682	347138432	/nfs/dbraw/zinc/13/84/32/347138432.db2.gz	SQEAVQAOXZQSMM-UHFFFAOYSA-N	-1	0	217.184	-0.169	40	10		BBCBRM
Nc1nnc([N+](=O)N=c2[n-]nc(N)[nH]2)[n-]1	ZINC000016382819	344304584	/nfs/dbraw/zinc/30/45/84/344304584.db2.gz	NEUDVQGJZYASGZ-YPKPFQOOSA-N	-1	0	210.161	-0.987	40	10		BBCBRM
[N-]=[N+]=NC1(N=[N+]=[N-])C(=O)[N-]C(=O)NC1=O	ZINC000095670615	187326760	/nfs/dbraw/zinc/32/67/60/187326760.db2.gz	HVWNWWZDGXPLIN-UHFFFAOYSA-N	-1	0	210.113	-0.331	40	10		BBCBRM
CC(=S)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000104305393	384821617	/nfs/dbraw/zinc/82/16/17/384821617.db2.gz	JMVCVYXJSVXKTI-UHFFFAOYSA-N	-1	0	213.218	-0.827	40	10		BBCBRM
COC1=C(C(=O)[O-])C=NS(C)(=O)=C1	ZINC000218803516	174012672	/nfs/dbraw/zinc/01/26/72/174012672.db2.gz	ROSYUSRQNJJLAN-ZDUSSCGKSA-N	-1	0	203.219	-0.313	40	10		BBCBRM
COC1=C(C(=O)[O-])C=NS(C)(=O)=C1	ZINC000218803595	174013470	/nfs/dbraw/zinc/01/34/70/174013470.db2.gz	ROSYUSRQNJJLAN-CYBMUJFWSA-N	-1	0	203.219	-0.313	40	10		BBCBRM
Nc1c(=O)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1O	ZINC000222552533	386052328	/nfs/dbraw/zinc/05/23/28/386052328.db2.gz	BQLCZXKFPFHMST-SSDOTTSWSA-N	-1	0	236.187	-0.700	40	10		BBCBRM
Nc1c(=O)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1O	ZINC000222552601	386053461	/nfs/dbraw/zinc/05/34/61/386053461.db2.gz	BQLCZXKFPFHMST-ZETCQYMHSA-N	-1	0	236.187	-0.700	40	10		BBCBRM
O=C([O-])CNC=C1SC(=S)NC1=O	ZINC000256028076	487554224	/nfs/dbraw/zinc/55/42/24/487554224.db2.gz	RRCMDBOJCNGLEM-IWQZZHSRSA-N	-1	0	218.259	-0.350	40	10		BBCBRM
CCN(/C=C1\C(=O)[N-]C(=O)N(C)C1=O)CC	ZINC000408526179	535651301	/nfs/dbraw/zinc/65/13/01/535651301.db2.gz	AURJBCCEOJBHSF-VOTSOKGWSA-N	-1	0	225.248	-0.080	40	10		BBCBRM
CNC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000408547098	536305559	/nfs/dbraw/zinc/30/55/59/536305559.db2.gz	VVTOBZPCCXARML-YVMONPNESA-N	-1	0	249.226	-0.039	40	10		BBCBRM