smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(O)c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c(=O)n(C)c1=O	ZINC000001566724	289791464	/nfs/dbraw/zinc/79/14/64/289791464.db2.gz	XEWADLPKYNLKSB-UHFFFAOYSA-N	0	2	331.288	-1.081	40	0		EAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)[nH]1	ZINC000005544775	374243138	/nfs/dbraw/zinc/24/31/38/374243138.db2.gz	WSXCNSWFRVAPEM-JFEMGPMLSA-N	0	2	345.308	-2.807	40	0		EAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)[nH]1	ZINC000005544777	374243378	/nfs/dbraw/zinc/24/33/78/374243378.db2.gz	WSXCNSWFRVAPEM-YHZLNDEXSA-N	0	2	345.308	-2.807	40	0		EAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	ZINC000005544934	295454495	/nfs/dbraw/zinc/45/44/95/295454495.db2.gz	YTUQCKKNKXPLCM-DALOQIEPSA-N	0	2	337.716	-2.356	40	0		EAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	ZINC000005544936	295454295	/nfs/dbraw/zinc/45/42/95/295454295.db2.gz	YTUQCKKNKXPLCM-NUPWSADLSA-N	0	2	337.716	-2.356	40	0		EAABLN
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CS(C)(=O)=O)O[C@@H]2n1ncc(=O)[nH]c1=O	ZINC000006015235	374413711	/nfs/dbraw/zinc/41/37/11/374413711.db2.gz	WJOLFGCXPCLESC-QQRDMOCMSA-N	0	2	347.349	-1.606	40	0		EAABLN
CC1(C)O[C@H]2[C@H](CS(C)(=O)=O)O[C@H](n3ncc(=O)[nH]c3=O)[C@@H]2O1	ZINC000006015236	374414500	/nfs/dbraw/zinc/41/45/00/374414500.db2.gz	WJOLFGCXPCLESC-MCNGFCJOSA-N	0	2	347.349	-1.606	40	0		EAABLN
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](n1ncc(=O)[nH]c1=O)O[C@@H]2CS(C)(=O)=O	ZINC000006015237	374414081	/nfs/dbraw/zinc/41/40/81/374414081.db2.gz	WJOLFGCXPCLESC-NEPJDUFXSA-N	0	2	347.349	-1.606	40	0		EAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	ZINC000017175459	374260636	/nfs/dbraw/zinc/26/06/36/374260636.db2.gz	YTUQCKKNKXPLCM-IRPHGTLLSA-N	0	2	337.716	-1.944	40	0		EAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	ZINC000017175460	374260499	/nfs/dbraw/zinc/26/04/99/374260499.db2.gz	YTUQCKKNKXPLCM-AVIDFEGHSA-N	0	2	337.716	-1.944	40	0		EAABLN
O=C(N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O)C(F)(F)F	ZINC000034423398	374563065	/nfs/dbraw/zinc/56/30/65/374563065.db2.gz	LXCNOCVKVXQYCX-XVFCMESISA-N	0	2	339.226	-2.166	40	0		EAABLN
NC(=O)c1ccc[n+]([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000040762833	303345506	/nfs/dbraw/zinc/34/55/06/303345506.db2.gz	DAYLJWODMCOQEW-CDLYGTGVSA-O	0	2	335.229	-2.199	40	0		EAABLN
NC(=O)c1ccc[n+]([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000040762833	303345501	/nfs/dbraw/zinc/34/55/01/303345501.db2.gz	DAYLJWODMCOQEW-CDLYGTGVSA-O	0	2	335.229	-2.199	40	0		EAABLN
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1O)N1CCOCC1	ZINC000077265042	374824673	/nfs/dbraw/zinc/82/46/73/374824673.db2.gz	XFEGDLWGHSIZJC-UPJWGTAASA-N	0	2	325.369	-1.331	40	0	biogenic,in-vitro	EAABLN
Cn1c(O)c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c(=O)n(C)c1=O	ZINC000098175596	374345550	/nfs/dbraw/zinc/34/55/50/374345550.db2.gz	WPFZUDUPZCQODY-UHFFFAOYSA-N	0	2	331.288	-1.581	40	0		EAABLN
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C(F)(F)F)c(=O)n1	ZINC000168017352	303502087	/nfs/dbraw/zinc/50/20/87/303502087.db2.gz	GZFARVHZTGRMCQ-XVFCMESISA-N	0	2	338.242	-1.877	40	0		EAABLN
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCCN(C(=O)/C=C/C(=O)[O-])C1)O2	ZINC000257232744	375189929	/nfs/dbraw/zinc/18/99/29/375189929.db2.gz	GMEYOGCJRWNADB-VSZDKKFSSA-N	0	2	335.320	-1.186	40	0		EAABLN
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)COCCN(C(=O)/C=C/C(=O)[O-])C1	ZINC000257232744	375189921	/nfs/dbraw/zinc/18/99/21/375189921.db2.gz	GMEYOGCJRWNADB-VSZDKKFSSA-N	0	2	335.320	-1.186	40	0		EAABLN
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(C(=O)/C=C/C(=O)[O-])C1)O2	ZINC000257232745	375191055	/nfs/dbraw/zinc/19/10/55/375191055.db2.gz	GMEYOGCJRWNADB-YUKKFKLSSA-N	0	2	335.320	-1.186	40	0		EAABLN
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)COCCN(C(=O)/C=C/C(=O)[O-])C1	ZINC000257232745	375191048	/nfs/dbraw/zinc/19/10/48/375191048.db2.gz	GMEYOGCJRWNADB-YUKKFKLSSA-N	0	2	335.320	-1.186	40	0		EAABLN