smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1Cl	ZINC000001185947	203894585	/nfs/dbraw/zinc/89/45/85/203894585.db2.gz	DEKJSIGDSVCDLM-UHFFFAOYSA-N	-2	1	376.777	2.213	50	10		GECAML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000002736178	570296991	/nfs/dbraw/zinc/29/69/91/570296991.db2.gz	GOTRRVUGDGBRKG-UHFFFAOYSA-N	-2	1	383.429	2.015	50	10		GECAML
O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000002590957	531502328	/nfs/dbraw/zinc/50/23/28/531502328.db2.gz	OCUBQNATRSMHHF-UHFFFAOYSA-N	-2	1	375.189	2.211	50	10		GECAML
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000002590957	531502333	/nfs/dbraw/zinc/50/23/33/531502333.db2.gz	OCUBQNATRSMHHF-UHFFFAOYSA-N	-2	1	375.189	2.211	50	10		GECAML
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000002590957	531502337	/nfs/dbraw/zinc/50/23/37/531502337.db2.gz	OCUBQNATRSMHHF-UHFFFAOYSA-N	-2	1	375.189	2.211	50	10		GECAML
CCc1ccc(N2[N-]C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])C2=O)cc1	ZINC000016156181	570915543	/nfs/dbraw/zinc/91/55/43/570915543.db2.gz	RKYODDFKNSSQLL-DHDCSXOGSA-N	-2	1	383.360	2.333	50	10		GECAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1F	ZINC000055679248	601325504	/nfs/dbraw/zinc/32/55/04/601325504.db2.gz	JDJAIZZHQFGOBG-UHFFFAOYSA-N	-2	1	380.397	2.161	50	10		GECAML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000004711756	570857983	/nfs/dbraw/zinc/85/79/83/570857983.db2.gz	ZQYKOOCNVGCRPK-UHFFFAOYSA-N	-2	1	383.429	2.015	50	10		GECAML
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000004703310	570854183	/nfs/dbraw/zinc/85/41/83/570854183.db2.gz	PFPHTZUQXVGUFH-VZUCSPMQSA-N	-2	1	386.747	2.441	50	10		GECAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1C(=O)[O-]	ZINC000055679226	600811410	/nfs/dbraw/zinc/81/14/10/600811410.db2.gz	FVWGIVYZRHIVBM-UHFFFAOYSA-N	-2	1	376.434	2.331	50	10		GECAML
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc([O-])c(Cl)c1	ZINC000015013023	210143244	/nfs/dbraw/zinc/14/32/44/210143244.db2.gz	PFPHTZUQXVGUFH-WZUFQYTHSA-N	-2	1	386.747	2.441	50	10		GECAML
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000170594356	570852323	/nfs/dbraw/zinc/85/23/23/570852323.db2.gz	LCFATDAVVDZLMU-UHFFFAOYSA-N	-2	1	384.341	2.417	50	10		GECAML
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000006276562	570240905	/nfs/dbraw/zinc/24/09/05/570240905.db2.gz	MDNZROCOAKNSHW-OQLLNIDSSA-N	-2	1	399.403	2.263	50	10		GECAML
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1[O-]	ZINC000013892675	210095916	/nfs/dbraw/zinc/09/59/16/210095916.db2.gz	UURQDOCRRKLJNP-NVNXTCNLSA-N	-2	1	383.360	2.387	50	10		GECAML
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000004672745	570392223	/nfs/dbraw/zinc/39/22/23/570392223.db2.gz	MLFRSUDADPLIRU-XNTDXEJSSA-N	-2	1	396.424	2.220	50	10		GECAML
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000006267760	531523034	/nfs/dbraw/zinc/52/30/34/531523034.db2.gz	TZXFZUFEWIBFFR-UHFFFAOYSA-N	-2	1	378.435	2.471	50	10		GECAML
Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000004704213	570395766	/nfs/dbraw/zinc/39/57/66/570395766.db2.gz	RMMPIRGNYXPNQL-UHFFFAOYSA-N	-2	1	387.779	2.195	50	10		GECAML
Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000004704213	570395769	/nfs/dbraw/zinc/39/57/69/570395769.db2.gz	RMMPIRGNYXPNQL-UHFFFAOYSA-N	-2	1	387.779	2.195	50	10		GECAML
CN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000004682211	531516784	/nfs/dbraw/zinc/51/67/84/531516784.db2.gz	QIZLAXFSVHYZMG-KXFIGUGUSA-N	-2	1	375.631	2.065	50	10		GECAML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000002246192	570280516	/nfs/dbraw/zinc/28/05/16/570280516.db2.gz	ORJMIJJVYBEJQQ-OQLLNIDSSA-N	-2	1	397.456	2.357	50	10		GECAML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000000980526	212201845	/nfs/dbraw/zinc/20/18/45/212201845.db2.gz	MLMYFMPQZHJXTK-OQLLNIDSSA-N	-2	1	383.429	2.049	50	10		GECAML
O=C([O-])c1cc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)ccc1Cl	ZINC000000809291	212184181	/nfs/dbraw/zinc/18/41/81/212184181.db2.gz	SYFNAFOYNDUJIV-UHFFFAOYSA-N	-2	1	376.777	2.213	50	10		GECAML