smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(CNC(=O)Cc1n[n-]c(=NC)s1)CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000620747637	1074703542	/nfs/dbraw/zinc/70/35/42/1074703542.db2.gz	DGZIIYONQXHFRR-UHFFFAOYSA-N	-2	0	396.502	-1.109	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(OCC(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000771890404	978743765	/nfs/dbraw/zinc/74/37/65/978743765.db2.gz	QCPVUBWMXQVIOJ-UHFFFAOYSA-N	-2	0	396.381	-1.140	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccccc2OCC(=O)[O-])c(=O)n(C)c1=O	ZINC000771891000	1075006395	/nfs/dbraw/zinc/00/63/95/1075006395.db2.gz	QNAOZBZRHHPEKG-UHFFFAOYSA-N	-2	0	396.381	-1.140	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2cccc(OCC(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000771897315	1075006374	/nfs/dbraw/zinc/00/63/74/1075006374.db2.gz	LDXQJKHJTAIUDY-UHFFFAOYSA-N	-2	0	396.381	-1.140	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(O)c(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000777444166	1075526845	/nfs/dbraw/zinc/52/68/45/1075526845.db2.gz	RXWFXGCKBQUTKL-UHFFFAOYSA-N	-2	0	382.354	-1.200	20	30		GAEDRL
N#CCNC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CC(=O)NCC#N	ZINC000804819713	1075022204	/nfs/dbraw/zinc/02/22/04/1075022204.db2.gz	GSSPVWBBMQQOCG-UHFFFAOYSA-N	-2	0	380.258	-2.231	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(NC(=O)[O-])nc2)c(=O)n(C)c1=O	ZINC000831019207	605470434	/nfs/dbraw/zinc/47/04/34/605470434.db2.gz	ZAXIZBJAXMWKJO-UHFFFAOYSA-N	-2	0	382.358	-1.119	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2cc(C(=O)[O-])ccc2O)c(=O)n(C)c1=O	ZINC000833053937	604986531	/nfs/dbraw/zinc/98/65/31/604986531.db2.gz	HRUMIKSIGJEAJN-UHFFFAOYSA-N	-2	0	382.354	-1.200	20	30		GAEDRL
C[C@H](C(=O)[O-])n1cccc1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000833405069	605040705	/nfs/dbraw/zinc/04/07/05/605040705.db2.gz	BWEVVWCKUNXFBX-SECBINFHSA-N	-2	0	383.386	-1.157	20	30		GAEDRL
C[C@@H](C(=O)[O-])n1cccc1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000833405070	605040822	/nfs/dbraw/zinc/04/08/22/605040822.db2.gz	BWEVVWCKUNXFBX-VIFPVBQESA-N	-2	0	383.386	-1.157	20	30		GAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2cccnc2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833949777	605955457	/nfs/dbraw/zinc/95/54/57/605955457.db2.gz	BAJGUJFKKLZBKB-UHFFFAOYSA-N	-2	0	382.358	-1.119	20	30		GAEDRL
C[C@@H](C#N)S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001193185338	1075390886	/nfs/dbraw/zinc/39/08/86/1075390886.db2.gz	IFARJWYBSGMPFS-IXTJBZSOSA-N	-2	0	376.365	-3.555	20	30		GAEDRL
C[C@H](C#N)S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001193185339	1075390949	/nfs/dbraw/zinc/39/09/49/1075390949.db2.gz	IFARJWYBSGMPFS-MVEQLIQHSA-N	-2	0	376.365	-3.555	20	30		GAEDRL
C[C@H](C#N)S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001193185340	1075390805	/nfs/dbraw/zinc/39/08/05/1075390805.db2.gz	IFARJWYBSGMPFS-OJEIPOMOSA-N	-2	0	376.365	-3.555	20	30		GAEDRL
C[C@@H](C#N)S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001193185342	1075390912	/nfs/dbraw/zinc/39/09/12/1075390912.db2.gz	IFARJWYBSGMPFS-ZLFMKPOPSA-N	-2	0	376.365	-3.555	20	30		GAEDRL
C#CCNC(=O)CN1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1	ZINC001588354371	1076061401	/nfs/dbraw/zinc/06/14/01/1076061401.db2.gz	LMIAJTWYOLPTPR-UHFFFAOYSA-N	-2	0	396.415	-1.518	20	30		GAEDRL
Cc1c(C(=O)[O-])cc(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C	ZINC001599984088	986205847	/nfs/dbraw/zinc/20/58/47/986205847.db2.gz	ABZIIVOFKVBQSG-UHFFFAOYSA-N	-2	0	383.386	-1.258	20	30		GAEDRL