smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/C(=O)N[C@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-]	ZINC000002576358	557733596	/nfs/dbraw/zinc/73/35/96/557733596.db2.gz	BGSFJBNFERXMTD-SIFUEBAJSA-N	-2	0	410.382	0.858	10	0	in-vitro	HCAERL
CC1(C)S[C@@H]2[C@H](NC(=O)c3nc4ccccc4nc3C(=O)[O-])C(=O)N2[C@H]1C(=O)[O-]	ZINC000004217386	557529675	/nfs/dbraw/zinc/52/96/75/557529675.db2.gz	GPMSLJIYNWBYEL-TYNCELHUSA-N	-2	0	416.415	0.573	10	0	in-man	HCAERL
O=C([O-])/C=C/C(=O)N[C@@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-]	ZINC000006884948	560206493	/nfs/dbraw/zinc/20/64/93/560206493.db2.gz	BGSFJBNFERXMTD-OFAQMXQXSA-N	-2	0	410.382	0.858	10	0	in-vitro	HCAERL
O=c1c(O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12	ZINC000034356282	565109395	/nfs/dbraw/zinc/10/93/95/565109395.db2.gz	RNVUDWOQYYWXBJ-KRLKJCFRSA-N	-2	0	418.354	0.395	10	0	biogenic,in-vitro	HCAERL
O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12	ZINC000038175153	574048830	/nfs/dbraw/zinc/04/88/30/574048830.db2.gz	POQICXMTUPVZMX-WNJKXWAASA-N	-2	0	418.354	0.395	10	0	endogenous,in-man	HCAERL
O=C([O-])c1ccc(OCc2ccccc2)c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000077272770	558885398	/nfs/dbraw/zinc/88/53/98/558885398.db2.gz	KIEDVJCLIRZVRU-SAGLZJIZSA-N	-2	0	420.370	0.235	10	0	in-vitro	HCAERL
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])C2)c(=O)[nH]1	ZINC000077285279	559000279	/nfs/dbraw/zinc/00/02/79/559000279.db2.gz	LBDJPXUIKREEKI-RQJHMYQMSA-N	-3	0	407.216	0.045	10	0	in-vitro	HCAERL
C[C@@H](O)[C@@H](C(=O)[O-])[C@@H]1NC(C(=O)[O-])=C(SC2CN(C3=NCCS3)C2)[C@@H]1C	ZINC000103596139	569048742	/nfs/dbraw/zinc/04/87/42/569048742.db2.gz	PLLIEDVYOCYIJX-YJFSRANCSA-N	-2	0	401.510	0.492	10	0	in-vitro	HCAERL
O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12	ZINC000255995024	571856566	/nfs/dbraw/zinc/85/65/66/571856566.db2.gz	POQICXMTUPVZMX-JJUQKUTHSA-N	-2	0	418.354	0.395	10	0	endogenous,in-man	HCAERL
C[C@@H]1C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])CC(C)(C)[C@@]1(O)/C=C/[C@@H](O)C(=O)[O-]	ZINC000514288203	560035434	/nfs/dbraw/zinc/03/54/34/560035434.db2.gz	WHVZEUYNILQCND-HIMMGEDASA-N	-2	0	402.440	0.703	10	0		HCAERL
C[C@@H]1C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])CC(C)(C)[C@@]1(O)/C=C/[C@H](O)C(=O)[O-]	ZINC000514288204	560035423	/nfs/dbraw/zinc/03/54/23/560035423.db2.gz	WHVZEUYNILQCND-IXLFPZPMSA-N	-2	0	402.440	0.703	10	0		HCAERL
C[C@@H]1C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])CC(C)(C)[C@]1(O)/C=C/[C@@H](O)C(=O)[O-]	ZINC000514288205	560035432	/nfs/dbraw/zinc/03/54/32/560035432.db2.gz	WHVZEUYNILQCND-KVVGBOOGSA-N	-2	0	402.440	0.703	10	0		HCAERL
C[C@@H]1C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])CC(C)(C)[C@]1(O)/C=C/[C@H](O)C(=O)[O-]	ZINC000514288206	560035421	/nfs/dbraw/zinc/03/54/21/560035421.db2.gz	WHVZEUYNILQCND-ORVPDKOZSA-N	-2	0	402.440	0.703	10	0		HCAERL