smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(C(N)=O)=C([O-])C(=O)C=C([O-])c1ccc(Cl)cc1	ZINC000101655712	204016450	/nfs/dbraw/zinc/01/64/50/204016450.db2.gz	AFHOETPUASYBPB-GIWBUXNHSA-N	-2	0	339.731	1.825	40	30		EDEBRL
CCOC(=O)C(C(N)=O)=C([O-])C(=O)C=C([O-])c1ccc(C)cc1C	ZINC000100215906	285628300	/nfs/dbraw/zinc/62/83/00/285628300.db2.gz	ONHCMXXYDDMXLB-MGMVUIRKSA-N	-2	0	333.340	1.789	40	30		EDEBRL
C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408849684	447680504	/nfs/dbraw/zinc/68/05/04/447680504.db2.gz	XVJSFNPVTKZVQE-IZZDOVSWSA-N	-2	0	332.312	1.067	40	30		EDEBRL
O=C1C=C([O-])C=CC1=NNc1cc(Cl)cc(S(=O)(=O)[O-])c1O	ZINC000017417526	441242946	/nfs/dbraw/zinc/24/29/46/441242946.db2.gz	RQIJHLQABPWAQV-ZSOIEALJSA-N	-2	0	344.732	1.641	40	30		EDEBRL
O=C([O-])c1ccc(Cl)c(NN=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000038290755	202133460	/nfs/dbraw/zinc/13/34/60/202133460.db2.gz	AUNHFOXAFDTUJQ-UHFFFAOYSA-N	-2	0	326.721	1.177	40	30		EDEBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC#N	ZINC000107932088	441433572	/nfs/dbraw/zinc/43/35/72/441433572.db2.gz	RSAQCOIBGXELCH-HWKANZROSA-N	-2	0	344.283	1.465	40	30		EDEBRL
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000017002172	441234244	/nfs/dbraw/zinc/23/42/44/441234244.db2.gz	ZDKCFRVWYIVUNG-RIYZIHGNSA-N	-2	0	337.313	1.993	40	30		EDEBRL
CCCCCCCCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])[C@]1(O)C(=O)[O-]	ZINC000038143607	520025450	/nfs/dbraw/zinc/02/54/50/520025450.db2.gz	NBMBQDMXBCIEMX-WQGACYEGSA-N	-2	0	330.377	1.959	40	30	biogenic,in-vitro	EDEBRL
CCCCCCCCCC[C@@H]1C(=O)O[C@H](C(=O)[O-])[C@@]1(O)C(=O)[O-]	ZINC000104646259	441199335	/nfs/dbraw/zinc/19/93/35/441199335.db2.gz	NBMBQDMXBCIEMX-XHBSWPGZSA-N	-2	0	330.377	1.959	40	30	biogenic,in-vitro	EDEBRL
O=c1[nH]ncc(NN=Cc2cc([N+](=O)[O-])c([O-])cc2[O-])c1Cl	ZINC000013285298	441156807	/nfs/dbraw/zinc/15/68/07/441156807.db2.gz	CRXZGMSWVIIHSP-DXNYSGJVSA-N	-2	0	325.668	1.189	40	30		EDEBRL
CCCCCCCCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])[C@@]1(O)C(=O)[O-]	ZINC000104646269	520026274	/nfs/dbraw/zinc/02/62/74/520026274.db2.gz	NBMBQDMXBCIEMX-BFQNTYOBSA-N	-2	0	330.377	1.959	40	30	biogenic,in-vitro	EDEBRL
C=CCCCCCCCC[C@H]1C(=O)O[C@H](C(=O)[O-])[C@]1(O)C(=O)[O-]	ZINC000031156759	441514929	/nfs/dbraw/zinc/51/49/29/441514929.db2.gz	WQBURULAXWBFLG-OZVIIMIRSA-N	-2	0	328.361	1.735	40	30	biogenic,in-vitro	EDEBRL
O=C([O-])CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004777779	201618121	/nfs/dbraw/zinc/61/81/21/201618121.db2.gz	DOYHSOVGNCPXDN-MDWZMJQESA-N	-2	0	326.221	1.220	40	30		EDEBRL
NC(=S)N/N=C\c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)o1	ZINC000008306521	486251761	/nfs/dbraw/zinc/25/17/61/486251761.db2.gz	IKLCLRHKVLDUDV-SOFYXZRVSA-N	-2	0	333.325	1.510	40	30		EDEBRL
CCOC(=O)C(C(N)=O)=C([O-])C(=O)C=C([O-])c1ccc(C)cc1C	ZINC000102781852	441171357	/nfs/dbraw/zinc/17/13/57/441171357.db2.gz	ONHCMXXYDDMXLB-VEEDHSDUSA-N	-2	0	333.340	1.789	40	30		EDEBRL