smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N=C(O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000031901262	525483489	/nfs/dbraw/zinc/48/34/89/525483489.db2.gz	JVPUENSYQZSVHP-OAHLLOKOSA-N	-1	2	378.406	1.589	40	30		GDEBLM
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O	ZINC000100030102	527559994	/nfs/dbraw/zinc/55/99/94/527559994.db2.gz	OQANPHBRHBJGNZ-FYJGNVAPSA-N	-1	2	398.400	1.800	40	30		GDEBLM
CCC[C@H](NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000016713268	570931740	/nfs/dbraw/zinc/93/17/40/570931740.db2.gz	AMBUDTNMKJZTJI-RAPDUPMSSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@H](NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000016713268	570931746	/nfs/dbraw/zinc/93/17/46/570931746.db2.gz	AMBUDTNMKJZTJI-RAPDUPMSSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@H](NC(=O)CC1SC(NN=Cc2ccccc2)=NC1=O)C(=O)[O-]	ZINC000005854591	204154100	/nfs/dbraw/zinc/15/41/00/204154100.db2.gz	AMBUDTNMKJZTJI-FQMMZHFNSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@H](NC(=O)C[C@H]1SC(NN=Cc2ccccc2)=NC1=O)C(=O)[O-]	ZINC000005854591	204154106	/nfs/dbraw/zinc/15/41/06/204154106.db2.gz	AMBUDTNMKJZTJI-FQMMZHFNSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@@H](NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000016713267	570931762	/nfs/dbraw/zinc/93/17/62/570931762.db2.gz	AMBUDTNMKJZTJI-SMNSCNSHSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@@H](NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000016713267	570931766	/nfs/dbraw/zinc/93/17/66/570931766.db2.gz	AMBUDTNMKJZTJI-SMNSCNSHSA-N	-1	2	376.438	1.368	40	30		GDEBLM
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009323921	524395538	/nfs/dbraw/zinc/39/55/38/524395538.db2.gz	JBLUIHDNDPAXIK-VYXQJKENSA-N	-1	2	381.344	1.995	40	30		GDEBLM
CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262790	570364266	/nfs/dbraw/zinc/36/42/66/570364266.db2.gz	QORJGHNTOQAXAJ-NBMXWQODSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C(=O)C(=C(C)[O-])C(=O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262790	570364268	/nfs/dbraw/zinc/36/42/68/570364268.db2.gz	QORJGHNTOQAXAJ-NBMXWQODSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C([O-])=C(C(C)=O)C(=O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262790	570364269	/nfs/dbraw/zinc/36/42/69/570364269.db2.gz	QORJGHNTOQAXAJ-NBMXWQODSA-N	-1	2	398.367	1.336	40	30		GDEBLM
N=C(NN=Cc1cc([N+](=O)[O-])ccc1[O-])NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000016385636	570923872	/nfs/dbraw/zinc/92/38/72/570923872.db2.gz	IDRRFKUWHXYION-ZEELXFFVSA-N	-1	2	387.312	1.396	40	30		GDEBLM
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O	ZINC000014768602	560226130	/nfs/dbraw/zinc/22/61/30/560226130.db2.gz	OQANPHBRHBJGNZ-BKUYFWCQSA-N	-1	2	398.400	1.800	40	30	in-vitro	GDEBLM
CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262792	570364153	/nfs/dbraw/zinc/36/41/53/570364153.db2.gz	QORJGHNTOQAXAJ-PTMPSMDGSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C(=O)C(=C(C)[O-])C(=O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262792	570364155	/nfs/dbraw/zinc/36/41/55/570364155.db2.gz	QORJGHNTOQAXAJ-PTMPSMDGSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C([O-])=C(C(C)=O)C(=O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262792	570364161	/nfs/dbraw/zinc/36/41/61/570364161.db2.gz	QORJGHNTOQAXAJ-PTMPSMDGSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CCC[C@@H](NC(=O)C[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000006593630	520733738	/nfs/dbraw/zinc/73/37/38/520733738.db2.gz	AMBUDTNMKJZTJI-MFHCDQJOSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CCC[C@@H](NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000006593630	520733747	/nfs/dbraw/zinc/73/37/47/520733747.db2.gz	AMBUDTNMKJZTJI-MFHCDQJOSA-N	-1	2	376.438	1.368	40	30		GDEBLM
CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262791	570363997	/nfs/dbraw/zinc/36/39/97/570363997.db2.gz	QORJGHNTOQAXAJ-NHTJXEOOSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C(=O)C(=C(C)[O-])C(=O)[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262791	570364003	/nfs/dbraw/zinc/36/40/03/570364003.db2.gz	QORJGHNTOQAXAJ-NHTJXEOOSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C([O-])=C(C(C)=O)C(=O)[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]12	ZINC000004262791	570364008	/nfs/dbraw/zinc/36/40/08/570364008.db2.gz	QORJGHNTOQAXAJ-NHTJXEOOSA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262789	570364238	/nfs/dbraw/zinc/36/42/38/570364238.db2.gz	QORJGHNTOQAXAJ-NKTYFGPESA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C(=O)C(=C(C)[O-])C(=O)[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262789	570364239	/nfs/dbraw/zinc/36/42/39/570364239.db2.gz	QORJGHNTOQAXAJ-NKTYFGPESA-N	-1	2	398.367	1.336	40	30		GDEBLM
CO[C@@H]1C([O-])=C(C(C)=O)C(=O)[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12	ZINC000004262789	570364241	/nfs/dbraw/zinc/36/42/41/570364241.db2.gz	QORJGHNTOQAXAJ-NKTYFGPESA-N	-1	2	398.367	1.336	40	30		GDEBLM
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009323919	524391703	/nfs/dbraw/zinc/39/17/03/524391703.db2.gz	JBLUIHDNDPAXIK-IXJMWADBSA-N	-1	2	381.344	1.995	40	30		GDEBLM