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-])c1NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000614325709	567103883	/nfs/dbraw/zinc/10/38/83/567103883.db2.gz	FUFDDQIWLAAYPT-UHFFFAOYSA-N	-1	2	386.763	3.297	10	30		GGEELM
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000016934286	221373364	/nfs/dbraw/zinc/37/33/64/221373364.db2.gz	SCAMAMXUXWXMKJ-FGLCSBSCSA-N	-1	2	399.384	3.232	10	30		GGEELM
CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000252642969	1433863700	/nfs/dbraw/zinc/86/37/00/1433863700.db2.gz	ZSECGHCATMNBLV-UGZFEIRXSA-N	-1	2	399.384	3.232	10	30		GGEELM
N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1	ZINC000435490639	567372793	/nfs/dbraw/zinc/37/27/93/567372793.db2.gz	ILMZFENKJFAXNQ-UHFFFAOYSA-N	-1	2	377.230	3.426	10	30		GGEELM
Cc1ccccc1N=C1SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000252610386	570479064	/nfs/dbraw/zinc/47/90/64/570479064.db2.gz	IBOXUXKSNZFTBD-INIZCTEOSA-N	-1	2	397.456	3.283	10	30		GGEELM
Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000252610386	570479070	/nfs/dbraw/zinc/47/90/70/570479070.db2.gz	IBOXUXKSNZFTBD-INIZCTEOSA-N	-1	2	397.456	3.283	10	30		GGEELM
Cc1ccccc1N=C1SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000252610387	571010111	/nfs/dbraw/zinc/01/01/11/571010111.db2.gz	IBOXUXKSNZFTBD-MRXNPFEDSA-N	-1	2	397.456	3.283	10	30		GGEELM
Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000252610387	571010116	/nfs/dbraw/zinc/01/01/16/571010116.db2.gz	IBOXUXKSNZFTBD-MRXNPFEDSA-N	-1	2	397.456	3.283	10	30		GGEELM
CCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000034803936	581096940	/nfs/dbraw/zinc/09/69/40/581096940.db2.gz	RKGOJPTZXHKAKX-QFIPXVFZSA-O	-1	2	377.400	3.057	10	30	in-vitro	GGEELM
CCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000034803936	581096941	/nfs/dbraw/zinc/09/69/41/581096941.db2.gz	RKGOJPTZXHKAKX-QFIPXVFZSA-O	-1	2	377.400	3.057	10	30	in-vitro	GGEELM
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000016934414	221373091	/nfs/dbraw/zinc/37/30/91/221373091.db2.gz	OUNLZHLANWASOC-FGLCSBSCSA-N	-1	2	399.384	3.232	10	30		GGEELM
CCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000034803938	581097004	/nfs/dbraw/zinc/09/70/04/581097004.db2.gz	RKGOJPTZXHKAKX-JOCHJYFZSA-O	-1	2	377.400	3.057	10	30	in-vitro	GGEELM
CCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000034803938	581097005	/nfs/dbraw/zinc/09/70/05/581097005.db2.gz	RKGOJPTZXHKAKX-JOCHJYFZSA-O	-1	2	377.400	3.057	10	30	in-vitro	GGEELM