smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(/C=N/[O-])o3)cc2)cc1	ZINC000226306476	206120255	/nfs/dbraw/zinc/12/02/55/206120255.db2.gz	CANSMBZQURAWOT-XDHOZWIPSA-N	-1	1	356.403	3.864	10	30		FHEEMM
N#Cc1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1[O-]	ZINC000040176996	205062236	/nfs/dbraw/zinc/06/22/36/205062236.db2.gz	CGXQXFOHDCJAHW-UHFFFAOYSA-N	-1	1	357.291	3.671	10	30		FHEEMM
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000096336083	209152401	/nfs/dbraw/zinc/15/24/01/209152401.db2.gz	DVFLMSHGSFWQHL-HNNXBMFYSA-N	-1	1	366.398	3.827	10	30		FHEEMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(C2CCCCC2)cc1	ZINC000004601602	207031905	/nfs/dbraw/zinc/03/19/05/207031905.db2.gz	KYQDZXGCFSPFJL-SVZNOHIVSA-N	-1	1	373.478	3.521	10	30		FHEEMM
CCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000004865464	207056504	/nfs/dbraw/zinc/05/65/04/207056504.db2.gz	NXWKVIFNVJYMOE-SFQUDFHCSA-N	-1	1	362.411	3.593	10	30		FHEEMM
CCCCCCCCc1ccc2nc([C@@H]([NH3+])COP(=O)([O-])[O-])[nH]c2c1	ZINC000038149376	208200159	/nfs/dbraw/zinc/20/01/59/208200159.db2.gz	FZEKCWYSFVMPDZ-AWEZNQCLSA-N	-1	1	369.402	3.575	10	30		FHEEMM
CCCCCOc1ccc(S(=O)(=O)[N-]C(=O)NCCCC)c(C)c1	ZINC000033857571	208100955	/nfs/dbraw/zinc/10/09/55/208100955.db2.gz	SEPFYTSHYBRPNY-UHFFFAOYSA-N	-1	1	356.488	3.556	10	30		FHEEMM
CCCCCOc1ccc(S(=O)(=O)N=C([O-])NCCCC)c(C)c1	ZINC000033857571	208100960	/nfs/dbraw/zinc/10/09/60/208100960.db2.gz	SEPFYTSHYBRPNY-UHFFFAOYSA-N	-1	1	356.488	3.556	10	30		FHEEMM
COC(=O)c1sc([N-]C(=O)c2nc3ccccc3s2)c(C#N)c1C	ZINC000009472656	207271910	/nfs/dbraw/zinc/27/19/10/207271910.db2.gz	DVWATXHPHUTFOU-UHFFFAOYSA-N	-1	1	357.416	3.577	10	30		FHEEMM
O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccc(/C=N/[O-])o2)cc1	ZINC000226306466	527248866	/nfs/dbraw/zinc/24/88/66/527248866.db2.gz	VHVQVRLONHELAH-YBFXNURJSA-N	-1	1	360.366	3.695	10	30		FHEEMM
Cc1ccc(/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2C)c([O-])c1	ZINC000016936139	211173404	/nfs/dbraw/zinc/17/34/04/211173404.db2.gz	QNJAGWMUJCQWOG-OHBWFZAWSA-N	-1	1	369.402	3.843	10	30		FHEEMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccccc1	ZINC000015987959	522011109	/nfs/dbraw/zinc/01/11/09/522011109.db2.gz	GXMQVHBXYDODHC-ODLFYWEKSA-N	-1	1	354.435	3.719	10	30		FHEEMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F	ZINC000096336096	222115986	/nfs/dbraw/zinc/11/59/86/222115986.db2.gz	UXHZISFAOJENSZ-CQSZACIVSA-N	-1	1	370.361	3.658	10	30		FHEEMM
O=C(c1ccc(Cl)cc1)c1c([O-])cc(-c2ccc(Cl)cc2)oc1=O	ZINC000100296949	222240220	/nfs/dbraw/zinc/24/02/20/222240220.db2.gz	TVCPDZIBJJBUMV-INIZCTEOSA-N	-1	1	361.180	3.959	10	30		FHEEMM
COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(/C=N/[O-])o3)cc2)cc1	ZINC000226306487	524689506	/nfs/dbraw/zinc/68/95/06/524689506.db2.gz	ZRLHMTLNFIMNLM-XDHOZWIPSA-N	-1	1	372.402	3.564	10	30		FHEEMM
COc1sc(SC)cc1C=N[N-]c1nnc2c3ccccc3[nH]c2n1	ZINC000006380386	570646338	/nfs/dbraw/zinc/64/63/38/570646338.db2.gz	RQYFNTILUXSXQV-CAOOACKPSA-N	-1	1	370.463	3.744	10	30		FHEEMM
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000096336082	222116211	/nfs/dbraw/zinc/11/62/11/222116211.db2.gz	DVFLMSHGSFWQHL-OAHLLOKOSA-N	-1	1	366.398	3.827	10	30		FHEEMM
O=C(c1ccc(Cl)cc1)c1c([O-])cc(-c2ccc(Cl)cc2)oc1=O	ZINC000100296945	222240849	/nfs/dbraw/zinc/24/08/49/222240849.db2.gz	TVCPDZIBJJBUMV-MRXNPFEDSA-N	-1	1	361.180	3.959	10	30		FHEEMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000102906043	222313413	/nfs/dbraw/zinc/31/34/13/222313413.db2.gz	UOJKPWUROUAEFY-LAFOYAEKSA-N	-1	1	374.371	3.847	10	30		FHEEMM