smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000001856866	206393621	/nfs/dbraw/zinc/39/36/21/206393621.db2.gz	MCZOQAVTLSACNL-KRWDZBQOSA-N	-1	0	399.468	3.462	1	10		GGCFRM
Cc1cccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)c1	ZINC000013680679	206989500	/nfs/dbraw/zinc/98/95/00/206989500.db2.gz	SCAMZZLGFBVBKM-PTNGSMBKSA-N	-1	0	390.511	3.090	1	10		GGCFRM
CSCC[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000017257070	207088013	/nfs/dbraw/zinc/08/80/13/207088013.db2.gz	MCZOQAVTLSACNL-QGZVFWFLSA-N	-1	0	399.468	3.462	1	10		GGCFRM
C/C=C(/CC)Cc1cc2c(c(O)c1C(=O)[O-])C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005761759	209188981	/nfs/dbraw/zinc/18/89/81/209188981.db2.gz	SYTAMFWHVQWAKV-OQFOIZHKSA-N	-1	0	382.368	3.176	1	10		GGCFRM
C/C=C/c1cc2c(c(=O)o1)-c1c([O-])c(O)c(OC)c(C=O)c1[C@@H](OC(C)C)O2	ZINC000028652543	210530080	/nfs/dbraw/zinc/53/00/80/210530080.db2.gz	BNFPYGWOFGPTQR-XJDXJNMNSA-N	-1	0	388.372	3.388	1	10	in-vitro	GGCFRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004201043	570362996	/nfs/dbraw/zinc/36/29/96/570362996.db2.gz	RREYRSQFRXAEIL-BVIHXZOGSA-N	-1	0	389.473	3.265	1	10		GGCFRM
CCc1cc([O-])c2c(O)c3c(cc2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000013369107	212116439	/nfs/dbraw/zinc/11/64/39/212116439.db2.gz	SNPUAXHAZYUTDJ-UHFFFAOYSA-N	-1	0	392.363	3.081	1	10		GGCFRM
O=C([O-])c1cc2cc(O)c(O)cc2c([C@H](O)c2ccc(C(F)(F)F)cc2)n1	ZINC000013490163	221270362	/nfs/dbraw/zinc/27/03/62/221270362.db2.gz	LVSILPXOGLUNCT-MRXNPFEDSA-N	-1	0	379.290	3.445	1	10		GGCFRM
CC(C)C(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049068036	221996268	/nfs/dbraw/zinc/99/62/68/221996268.db2.gz	NUZAARCKGCFLIV-UHFFFAOYSA-N	-1	0	389.769	3.188	1	10		GGCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@H]1c1ccccc1O	ZINC000084704645	222321254	/nfs/dbraw/zinc/32/12/54/222321254.db2.gz	FZGQCKZLWZZMAW-INIZCTEOSA-N	-1	0	378.384	3.210	1	10		GGCFRM
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cc(Cl)ccc1O)N(C)C2=O	ZINC000004563690	204053673	/nfs/dbraw/zinc/05/36/73/204053673.db2.gz	LMJLPWMWAXDCHO-IAGOWNOFSA-N	-1	0	391.807	3.058	1	10		GGCFRM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1	ZINC000040894874	205073619	/nfs/dbraw/zinc/07/36/19/205073619.db2.gz	KDDXZFUQNCRZCD-VGOFMYFVSA-N	-1	0	393.226	3.472	1	10		GGCFRM
COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c([O-])c1CN1CCOCC1	ZINC000049112295	205126557	/nfs/dbraw/zinc/12/65/57/205126557.db2.gz	KLFRQQKLDHGYOA-UHFFFAOYSA-N	-1	0	391.851	3.126	1	10		GGCFRM
CSCC[C@H](NC=C1C(=O)N(c2ccccc2)N=C1c1ccccc1)C(=O)[O-]	ZINC000072176498	205317601	/nfs/dbraw/zinc/31/76/01/205317601.db2.gz	CNJOAHSUBKLLBC-DNKLCNGGSA-N	-1	0	395.484	3.117	1	10		GGCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@@H]1c1ccccc1O	ZINC000084704648	205399650	/nfs/dbraw/zinc/39/96/50/205399650.db2.gz	FZGQCKZLWZZMAW-MRXNPFEDSA-N	-1	0	378.384	3.210	1	10		GGCFRM
C[NH+](C)Cc1cc(C(=O)c2ccc(OCC(=O)[O-])c(Cl)c2Cl)ccc1[O-]	ZINC000029342803	207360900	/nfs/dbraw/zinc/36/09/00/207360900.db2.gz	YNVJVHHYTUTYNU-UHFFFAOYSA-N	-1	0	398.242	3.455	1	10		GGCFRM
O=C([O-])CCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2	ZINC000095582964	208235890	/nfs/dbraw/zinc/23/58/90/208235890.db2.gz	UWWOHWATJYHZPP-UHFFFAOYSA-N	-1	0	398.212	3.450	1	10		GGCFRM
O=C([O-])CN1C(=O)/C(=C/c2ncc(-c3ccc(F)cc3)s2)SC1=S	ZINC000013678254	210078773	/nfs/dbraw/zinc/07/87/73/210078773.db2.gz	XTQVCYLEIWYCNF-YHYXMXQVSA-N	-1	0	380.447	3.235	1	10		GGCFRM
Cc1ccc(O)c(Cn2c(=O)c3cc(O)c([O-])c(O)c3nc2-c2ccccc2)c1	ZINC000096285599	211331390	/nfs/dbraw/zinc/33/13/90/211331390.db2.gz	SYEGIOUDEHFYQT-UHFFFAOYSA-N	-1	0	390.395	3.243	1	10		GGCFRM
CCCC(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049114066	210861980	/nfs/dbraw/zinc/86/19/80/210861980.db2.gz	NNPPCROKHWSYCR-UHFFFAOYSA-N	-1	0	389.769	3.332	1	10		GGCFRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000013154149	221263080	/nfs/dbraw/zinc/26/30/80/221263080.db2.gz	RREYRSQFRXAEIL-DRABBMOASA-N	-1	0	389.473	3.265	1	10		GGCFRM
COc1ccc(C2=NC(=S)N[C@@H](c3ccccc3O)C2CCC(=O)[O-])cc1	ZINC000058502191	222053843	/nfs/dbraw/zinc/05/38/43/222053843.db2.gz	ISXHAXIEYYTNQH-IBGZPJMESA-N	-1	0	384.457	3.196	1	10		GGCFRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004201044	570362949	/nfs/dbraw/zinc/36/29/49/570362949.db2.gz	RREYRSQFRXAEIL-PKIAMQTDSA-N	-1	0	389.473	3.265	1	10		GGCFRM
CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000028951418	1400215679	/nfs/dbraw/zinc/21/56/79/1400215679.db2.gz	KIGNBTZKQBUDRY-UHFFFAOYSA-N	-1	0	389.260	3.483	1	10		GGCFRM