smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2/N=C/c2ccccc2O)c(=O)n(-c2ccccc2)n1C	ZINC000013659570	555555748	/nfs/dbraw/zinc/55/57/48/555555748.db2.gz	SYXBBSLURNGYLC-DJJDEUIVSA-N	-1	2	479.518	2.630	50	30		JFEALM
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)c(C(=O)[O-])c1OC	ZINC000001889532	554000663	/nfs/dbraw/zinc/00/06/63/554000663.db2.gz	JYSLTCGRZLVMEU-IMQYADFFSA-N	-1	2	470.507	2.661	50	30		JFEALM
COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)c(C(=O)[O-])c1OC	ZINC000001889532	554000670	/nfs/dbraw/zinc/00/06/70/554000670.db2.gz	JYSLTCGRZLVMEU-IMQYADFFSA-N	-1	2	470.507	2.661	50	30		JFEALM
O=C([O-])CCNC(=O)C[C@@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000012080351	527590050	/nfs/dbraw/zinc/59/00/50/527590050.db2.gz	KGSPRMMHUDJCSY-PYGAFPFSSA-N	-1	2	463.519	2.737	50	30		JFEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000012080351	527590061	/nfs/dbraw/zinc/59/00/61/527590061.db2.gz	KGSPRMMHUDJCSY-PYGAFPFSSA-N	-1	2	463.519	2.737	50	30		JFEALM
C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002987996	518315725	/nfs/dbraw/zinc/31/57/25/518315725.db2.gz	OKCXOJINLJCMKU-OQLLNIDSSA-N	-1	2	499.273	2.834	50	30		JFEALM
O=C([O-])CCNC(=O)C[C@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000012080352	527591457	/nfs/dbraw/zinc/59/14/57/527591457.db2.gz	KGSPRMMHUDJCSY-YBNTXHARSA-N	-1	2	463.519	2.737	50	30		JFEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000012080352	527591463	/nfs/dbraw/zinc/59/14/63/527591463.db2.gz	KGSPRMMHUDJCSY-YBNTXHARSA-N	-1	2	463.519	2.737	50	30		JFEALM
O=C1C(N=Nc2cccc3c(=O)[nH][n-]c(=O)c23)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000009057157	526949210	/nfs/dbraw/zinc/94/92/10/526949210.db2.gz	HULKQHGXFZHRLJ-QQTULTPQSA-N	-1	2	469.417	2.756	50	30		JFEALM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)c(C(=O)[O-])c1OC	ZINC000008741907	554644557	/nfs/dbraw/zinc/64/45/57/554644557.db2.gz	JYSLTCGRZLVMEU-BRUSPLQXSA-N	-1	2	470.507	2.661	50	30		JFEALM
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)S2)c(C(=O)[O-])c1OC	ZINC000008741907	554644561	/nfs/dbraw/zinc/64/45/61/554644561.db2.gz	JYSLTCGRZLVMEU-BRUSPLQXSA-N	-1	2	470.507	2.661	50	30		JFEALM
COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CCC#N)CC1	ZINC000032961968	569602690	/nfs/dbraw/zinc/60/26/90/569602690.db2.gz	AEGQHWBXYDDUMJ-UHFFFAOYSA-N	-1	2	478.958	2.883	50	30		JFEALM
O=C1C(N=Nc2cccc3c(=O)[nH][n-]c(=O)c23)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	ZINC000013893673	555641455	/nfs/dbraw/zinc/64/14/55/555641455.db2.gz	GNDIBJJWEHRJEV-QQTULTPQSA-N	-1	2	469.417	2.756	50	30		JFEALM
O=c1c(N=Nc2cccc3c(=O)[nH][nH]c(=O)c23)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000013893673	555641458	/nfs/dbraw/zinc/64/14/58/555641458.db2.gz	GNDIBJJWEHRJEV-QQTULTPQSA-N	-1	2	469.417	2.756	50	30		JFEALM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002945974	194176070	/nfs/dbraw/zinc/17/60/70/194176070.db2.gz	VROSQMIBBWTURR-WOJGMQOQSA-N	-1	2	450.447	2.862	50	30		JFEALM
COC(=O)C[C@H](c1ccc(O)cc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc(O)cc2)C(=O)C1=O	ZINC000218116531	569882883	/nfs/dbraw/zinc/88/28/83/569882883.db2.gz	JJTGGNKHLSFIOK-HDICACEKSA-N	-1	2	496.468	2.867	50	30	biogenic	JFEALM
COC(=O)C[C@@H](c1ccc(O)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(O)cc2)C(=O)C1=O	ZINC000218116531	569882884	/nfs/dbraw/zinc/88/28/84/569882884.db2.gz	JJTGGNKHLSFIOK-HDICACEKSA-N	-1	2	496.468	2.867	50	30	biogenic	JFEALM
Cc1c(/N=C2\S[C@H](CC(=O)[O-])C(=O)N2/N=C/c2ccccc2O)c(=O)n(-c2ccccc2)n1C	ZINC000013659573	555555859	/nfs/dbraw/zinc/55/58/59/555555859.db2.gz	SYXBBSLURNGYLC-PTFHFGIGSA-N	-1	2	479.518	2.630	50	30		JFEALM
N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])CC1	ZINC000085593026	569710955	/nfs/dbraw/zinc/71/09/55/569710955.db2.gz	ZGTIUJCSMRGIQK-UHFFFAOYSA-N	-1	2	454.961	2.936	50	30		JFEALM
COC(=O)C[C@H](c1cccc(O)c1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2cccc(O)c2)C(=O)C1=O	ZINC000218039481	569882608	/nfs/dbraw/zinc/88/26/08/569882608.db2.gz	XTPRZEIHWSLCNG-HDICACEKSA-N	-1	2	496.468	2.867	50	30	biogenic	JFEALM
COC(=O)C[C@@H](c1cccc(O)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2cccc(O)c2)C(=O)C1=O	ZINC000218039481	569882609	/nfs/dbraw/zinc/88/26/09/569882609.db2.gz	XTPRZEIHWSLCNG-HDICACEKSA-N	-1	2	496.468	2.867	50	30	biogenic	JFEALM