smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028539035	202172772	/nfs/dbraw/zinc/17/27/72/202172772.db2.gz	AVBJHQDHVYGQLS-AWEZNQCLSA-N	-2	0	329.437	3.342	50	30		EGEARL
CCCCCCCCCC[C@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	ZINC000067957232	258011519	/nfs/dbraw/zinc/01/15/19/258011519.db2.gz	TUXHHVJPGQUPCF-CXAGYDPISA-N	-2	0	328.405	3.378	50	30	biogenic,in-vitro	EGEARL
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cc3c2OCOC3)c([O-])c1	ZINC000004026739	210102690	/nfs/dbraw/zinc/10/26/90/210102690.db2.gz	OZOKEJHZINVWBM-HWKANZROSA-N	-2	0	340.331	3.161	50	30	biogenic	EGEARL
C=C(OC(=O)c1ccccc1/C(C)=N\[O-])c1ccccc1C(=O)[O-]	ZINC000071415978	454206322	/nfs/dbraw/zinc/20/63/22/454206322.db2.gz	FOSPFEZMVKPOGC-ODLFYWEKSA-N	-2	0	325.320	3.411	50	30		EGEARL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000006055689	452917333	/nfs/dbraw/zinc/91/73/33/452917333.db2.gz	ANWPKKBVWULHRK-VCHYOVAHSA-N	-2	0	338.392	3.497	50	30		EGEARL
CCCCCCCCCC[C@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	ZINC000038139796	453940024	/nfs/dbraw/zinc/94/00/24/453940024.db2.gz	TUXHHVJPGQUPCF-DYVFJYSZSA-N	-2	0	328.405	3.378	50	30	biogenic,in-vitro	EGEARL
C=CCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2c[nH]c3ccccc23)C1=O	ZINC000101234300	219119437	/nfs/dbraw/zinc/11/94/37/219119437.db2.gz	UZSRTDQAMUBOPW-KAAZQUNHSA-N	-2	0	337.335	3.098	50	30		EGEARL
CCCCCCCCCC[C@@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	ZINC000067957228	258011222	/nfs/dbraw/zinc/01/12/22/258011222.db2.gz	TUXHHVJPGQUPCF-GUYCJALGSA-N	-2	0	328.405	3.378	50	30	biogenic,in-vitro	EGEARL
O=C([O-])c1ccccc1C=Nn1c(-c2ccc(F)cc2)n[n-]c1=S	ZINC000001235378	452649272	/nfs/dbraw/zinc/64/92/72/452649272.db2.gz	LEDPKKZZJLJKMK-GIJQJNRQSA-N	-2	0	342.355	3.327	50	30		EGEARL
O=C([O-])c1ccc(C=Nn2c(-c3ccc(F)cc3)n[n-]c2=S)cc1	ZINC000001283136	209722397	/nfs/dbraw/zinc/72/23/97/209722397.db2.gz	RFEPNBQYUDXYIE-GIJQJNRQSA-N	-2	0	342.355	3.327	50	30		EGEARL
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)c([O-])cc1[O-]	ZINC000036579800	304798594	/nfs/dbraw/zinc/79/85/94/304798594.db2.gz	ZDQLTRMHGPJMSX-VIZOYTHASA-N	-2	0	330.325	3.062	50	30		EGEARL
O=C([O-])c1ccccc1C=Nn1c(-c2ccccc2F)n[n-]c1=S	ZINC000001277624	452651334	/nfs/dbraw/zinc/65/13/34/452651334.db2.gz	KVUQTAZUWNTWGC-GIJQJNRQSA-N	-2	0	342.355	3.327	50	30		EGEARL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(=O)[O-])c1	ZINC000006055713	452917261	/nfs/dbraw/zinc/91/72/61/452917261.db2.gz	LJGSPWCEIPASPI-VCHYOVAHSA-N	-2	0	338.392	3.497	50	30		EGEARL
O=C([O-])c1ccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)cc1	ZINC000001267752	452651220	/nfs/dbraw/zinc/65/12/20/452651220.db2.gz	YJCLSGSVEMUCPZ-GIJQJNRQSA-N	-2	0	342.355	3.327	50	30		EGEARL
CCCCCCCCCC[C@@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	ZINC000067957230	258011100	/nfs/dbraw/zinc/01/11/00/258011100.db2.gz	TUXHHVJPGQUPCF-SUMWQHHRSA-N	-2	0	328.405	3.378	50	30	biogenic,in-vitro	EGEARL