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(=N[N-]c1snc2ccc(S(=O)(=O)[O-])cc21)C(=O)c1ccccc1	ZINC000016451219	570925591	/nfs/dbraw/zinc/92/55/91/570925591.db2.gz	PJFLHVUIXYDQQH-NBVRZTHBSA-N	-2	0	386.414	2.717	40	30		GFEBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=NN3C(=O)CSC3=S)o2)c1	ZINC000409332114	534543672	/nfs/dbraw/zinc/54/36/72/534543672.db2.gz	PLRJJPXGTARGSA-FMQZQXMHSA-N	-2	0	390.398	2.537	40	30		GFEBRL
C=CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408939057	526922233	/nfs/dbraw/zinc/92/22/33/526922233.db2.gz	LPGWBMQKXNZTQV-FOWTUZBSSA-N	-2	0	392.367	2.616	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3C)C(=O)[N-]C2=S)cc1	ZINC000408752608	231112038	/nfs/dbraw/zinc/11/20/38/231112038.db2.gz	FGCPTMUESIRILE-UNUHRMFVSA-N	-2	0	395.440	2.768	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C(=O)[N-]C2=S)cc1	ZINC000408761842	570471211	/nfs/dbraw/zinc/47/12/11/570471211.db2.gz	LYUOLEYKAFEOCO-SBUZPKSBSA-N	-2	0	395.440	2.768	40	30		GFEBRL
O=c1c2c3c(sc2ncn1/N=C/c1cc([N+](=O)[O-])c([O-])cc1[O-])CCCC3	ZINC000059433795	570657026	/nfs/dbraw/zinc/65/70/26/570657026.db2.gz	YHSUUWSLNZZCKJ-FBCYGCLPSA-N	-2	0	386.389	2.538	40	30		GFEBRL
Cn1c(=O)c(C=N[N-]c2nnc3c4ccccc4[nH]c3n2)c([O-])c2ccccc21	ZINC000016364015	570923417	/nfs/dbraw/zinc/92/34/17/570923417.db2.gz	FXQOTBIKNXLIFQ-UFFVCSGVSA-N	-2	0	385.387	2.510	40	30		GFEBRL
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1cc(Br)cc(Br)c1[O-]	ZINC000408720734	534764823	/nfs/dbraw/zinc/76/48/23/534764823.db2.gz	XSMMMOVRPUAFCK-UHFFFAOYSA-N	-2	0	386.987	2.657	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3C)C(=O)[N-]C2=S)cc1	ZINC000408752606	231112114	/nfs/dbraw/zinc/11/21/14/231112114.db2.gz	FGCPTMUESIRILE-IZBZYRJBSA-N	-2	0	395.440	2.768	40	30		GFEBRL
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000101153904	570281512	/nfs/dbraw/zinc/28/15/12/570281512.db2.gz	ZEJYCNGOXPEHNG-PKNBQFBNSA-N	-2	0	394.383	2.847	40	30		GFEBRL
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408942955	526834315	/nfs/dbraw/zinc/83/43/15/526834315.db2.gz	RGTSYLNLWIUYJZ-SFQUDFHCSA-N	-2	0	392.367	2.616	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3C)C(=O)[N-]C2=S)cc1	ZINC000016292811	570921505	/nfs/dbraw/zinc/92/15/05/570921505.db2.gz	KUFFTQZDPCPLJI-IZBZYRJBSA-N	-2	0	395.440	2.768	40	30		GFEBRL
Cc1nnc([S-])n(/N=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1=O	ZINC000408815133	231117755	/nfs/dbraw/zinc/11/77/55/231117755.db2.gz	UMJVSIITECABML-CNHKJKLMSA-N	-2	0	390.808	2.729	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3C)C(=O)[N-]C2=S)cc1	ZINC000016292813	570921441	/nfs/dbraw/zinc/92/14/41/570921441.db2.gz	KUFFTQZDPCPLJI-UNUHRMFVSA-N	-2	0	395.440	2.768	40	30		GFEBRL
N#Cc1c(/C=C\c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])nn(-c2ccccc2)c1=O	ZINC000409205472	231180252	/nfs/dbraw/zinc/18/02/52/231180252.db2.gz	NLZWAVPXPVJFMU-FLIBITNWSA-N	-2	0	387.351	2.671	40	30		GFEBRL
Cc1ccc(N2C(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C(=O)[N-]C2=S)cc1	ZINC000408761839	570471073	/nfs/dbraw/zinc/47/10/73/570471073.db2.gz	LYUOLEYKAFEOCO-LKKXKRCMSA-N	-2	0	395.440	2.768	40	30		GFEBRL