smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000614325709	567103882	/nfs/dbraw/zinc/10/38/82/567103882.db2.gz	FUFDDQIWLAAYPT-UHFFFAOYSA-N	-2	0	386.763	3.297	10	30		GGEERL
C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1)C(=O)[O-]	ZINC000504701656	567544404	/nfs/dbraw/zinc/54/44/04/567544404.db2.gz	AWOLKAZFBQHNNV-JTQLQIEISA-N	-2	0	380.422	3.063	10	30		GGEERL
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1)C(=O)[O-]	ZINC000504701657	567544681	/nfs/dbraw/zinc/54/46/81/567544681.db2.gz	AWOLKAZFBQHNNV-SNVBAGLBSA-N	-2	0	380.422	3.063	10	30		GGEERL
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1C(=O)[O-]	ZINC000016934111	221373184	/nfs/dbraw/zinc/37/31/84/221373184.db2.gz	UWSPHRFAZCQYFE-VGWMENCHSA-N	-2	0	382.397	3.317	10	30		GGEERL
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000016934286	221373362	/nfs/dbraw/zinc/37/33/62/221373362.db2.gz	SCAMAMXUXWXMKJ-FGLCSBSCSA-N	-2	0	399.384	3.232	10	30		GGEERL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)c1	ZINC000012375150	526344501	/nfs/dbraw/zinc/34/45/01/526344501.db2.gz	DCIAVNWWYHLBLA-NKVSQWTQSA-N	-2	0	391.339	3.263	10	30		GGEERL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-]	ZINC000540999821	566685775	/nfs/dbraw/zinc/68/57/75/566685775.db2.gz	JEYPLHFHHSWRRJ-UHFFFAOYSA-N	-2	0	378.837	3.420	10	30		GGEERL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1	ZINC000541003377	566686450	/nfs/dbraw/zinc/68/64/50/566686450.db2.gz	KGPFVYQALAOSRQ-UHFFFAOYSA-N	-2	0	378.837	3.420	10	30		GGEERL
COc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1	ZINC000581404488	566773779	/nfs/dbraw/zinc/77/37/79/566773779.db2.gz	PSBYFSXMOHASJI-UHFFFAOYSA-N	-2	0	380.809	3.028	10	30		GGEERL
COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1	ZINC000548595438	567336770	/nfs/dbraw/zinc/33/67/70/567336770.db2.gz	QMBKYDBUOXNCLZ-UHFFFAOYSA-N	-2	0	380.809	3.028	10	30		GGEERL
CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000252642969	1433863699	/nfs/dbraw/zinc/86/36/99/1433863699.db2.gz	ZSECGHCATMNBLV-UGZFEIRXSA-N	-2	0	399.384	3.232	10	30		GGEERL
Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C#N	ZINC000427243401	566759209	/nfs/dbraw/zinc/75/92/09/566759209.db2.gz	PKKJTEFOARSPNR-UHFFFAOYSA-N	-2	0	386.216	3.068	10	30		GGEERL
C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-]	ZINC000548263253	567300516	/nfs/dbraw/zinc/30/05/16/567300516.db2.gz	VDNVNXWCQJIKKY-LLVKDONJSA-N	-2	0	378.837	3.276	10	30		GGEERL
Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000548554652	567328661	/nfs/dbraw/zinc/32/86/61/567328661.db2.gz	BALGJXXBTWQQTI-UHFFFAOYSA-N	-2	0	395.234	3.128	10	30		GGEERL
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(O)cc1C(=O)[O-]	ZINC000016930789	207079681	/nfs/dbraw/zinc/07/96/81/207079681.db2.gz	CTSQHUXWRGZWCR-YIRGRPEUSA-N	-2	0	398.396	3.022	10	30		GGEERL
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000016934388	207079730	/nfs/dbraw/zinc/07/97/30/207079730.db2.gz	JHFYJCLNVVOWFM-VGWMENCHSA-N	-2	0	382.397	3.317	10	30		GGEERL
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1	ZINC000016931061	207080272	/nfs/dbraw/zinc/08/02/72/207080272.db2.gz	RTZXVNSJHHFPQE-YIRGRPEUSA-N	-2	0	398.396	3.022	10	30		GGEERL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000614326190	567104099	/nfs/dbraw/zinc/10/40/99/567104099.db2.gz	XWSIKAOZGZVOIG-UHFFFAOYSA-N	-2	0	380.809	3.028	10	30		GGEERL
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-]	ZINC000548263254	567300864	/nfs/dbraw/zinc/30/08/64/567300864.db2.gz	VDNVNXWCQJIKKY-NSHDSACASA-N	-2	0	378.837	3.276	10	30		GGEERL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1	ZINC000435490639	567372788	/nfs/dbraw/zinc/37/27/88/567372788.db2.gz	ILMZFENKJFAXNQ-UHFFFAOYSA-N	-2	0	377.230	3.426	10	30		GGEERL
O=C([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000004587046	209499747	/nfs/dbraw/zinc/49/97/47/209499747.db2.gz	AOSJLCAGRCQOAX-APSNUPSMSA-N	-2	0	380.154	3.207	10	30		GGEERL
O=C([O-])c1ccc(NN=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000038182395	526372113	/nfs/dbraw/zinc/37/21/13/526372113.db2.gz	BNNSGENBZNPLMS-FRKPEAEDSA-N	-2	0	380.154	3.207	10	30		GGEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(Cl)c1	ZINC000542859122	566832119	/nfs/dbraw/zinc/83/21/19/566832119.db2.gz	QRRLRYWVPXQWEE-UHFFFAOYSA-N	-2	0	378.837	3.420	10	30		GGEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1	ZINC000435488845	567373068	/nfs/dbraw/zinc/37/30/68/567373068.db2.gz	GIYPVSMFZJMCGM-UHFFFAOYSA-N	-2	0	392.336	3.017	10	30		GGEERL
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000016934414	221373086	/nfs/dbraw/zinc/37/30/86/221373086.db2.gz	OUNLZHLANWASOC-FGLCSBSCSA-N	-2	0	399.384	3.232	10	30		GGEERL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000548528667	567323223	/nfs/dbraw/zinc/32/32/23/567323223.db2.gz	BVKCXHMOLYNXFM-UHFFFAOYSA-N	-2	0	375.793	3.192	10	30		GGEERL