smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000004643893	487480826	/nfs/dbraw/zinc/48/08/26/487480826.db2.gz	RXLUERSUMJJSBK-UHFFFAOYSA-N	-2	0	360.322	0.637	50	30		FCEARL
O=C([O-])CCNC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000013863965	487567076	/nfs/dbraw/zinc/56/70/76/487567076.db2.gz	KONZVQJABTUMFX-NDENLUEZSA-N	-2	0	357.322	0.809	50	30	in-vitro	FCEARL
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000005201211	487486739	/nfs/dbraw/zinc/48/67/39/487486739.db2.gz	AXHKKSCIPXKGHG-XFFZJAGNSA-N	-2	0	360.322	0.806	50	30		FCEARL
O=C1O[C@@]2(C(=C([O-])c3ccc(Cl)cc3)C1=O)C(=O)[N-]C(=O)NC2=O	ZINC000004646023	204151973	/nfs/dbraw/zinc/15/19/73/204151973.db2.gz	KXDWMFGVCYLVKQ-UHFFFAOYSA-N	-2	0	350.670	0.837	50	30		FCEARL
O=C([O-])COc1cccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)c1	ZINC000006241234	207134018	/nfs/dbraw/zinc/13/40/18/207134018.db2.gz	IOPFSCUJXIQNEY-JFEKIERCSA-N	-2	0	351.340	0.546	50	30		FCEARL
O=C([O-])COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000004802052	207050049	/nfs/dbraw/zinc/05/00/49/207050049.db2.gz	JCCGPQKVJVFHJL-JFEKIERCSA-N	-2	0	351.340	0.546	50	30		FCEARL
O=C([O-])COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000004802055	207049580	/nfs/dbraw/zinc/04/95/80/207049580.db2.gz	JCCGPQKVJVFHJL-UWJMNNEMSA-N	-2	0	351.340	0.546	50	30		FCEARL
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1	ZINC000067690701	488355072	/nfs/dbraw/zinc/35/50/72/488355072.db2.gz	HJHQQYGSYVCLCQ-LLVKDONJSA-N	-2	0	370.369	0.809	50	30		FCEARL
C#CCOc1cc(C(=O)N2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)ccc1OC	ZINC001704312575	1286222207	/nfs/dbraw/zinc/22/22/07/1286222207.db2.gz	FXSDIKCMIXJSBJ-HDICACEKSA-N	-2	0	359.334	0.709	50	30		FCEARL
O=S(=O)([O-])c1ccc2c(c1)[C@@H](S(=O)(=O)[O-])CC(=N\O)/C2=N/[O-]	ZINC000100299950	222240734	/nfs/dbraw/zinc/24/07/34/222240734.db2.gz	KATUVLJHHVKHOG-ICCGXOTQSA-N	-3	0	350.330	0.274	50	30		FCEARL
C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000012343740	487552439	/nfs/dbraw/zinc/55/24/39/487552439.db2.gz	UPNSWBHJXLRQLB-YBEGLDIGSA-N	-2	0	368.396	0.131	50	30		FCEARL
CC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS	ZINC000012495122	220000989	/nfs/dbraw/zinc/00/09/89/220000989.db2.gz	JDMUPRLRUUMCTL-VIFPVBQESA-N	-2	0	358.353	0.716	50	30	endogenous,in-man	FCEARL
C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002334250	487470273	/nfs/dbraw/zinc/47/02/73/487470273.db2.gz	UPNSWBHJXLRQLB-MHWRWJLKSA-N	-2	0	368.396	0.131	50	30		FCEARL
CC(C)(O)C#Cc1cccc(C(=O)N2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1	ZINC001704302793	1286219176	/nfs/dbraw/zinc/21/91/76/1286219176.db2.gz	CTXOUJGQNJLJIJ-KDURUIRLSA-N	-2	0	357.362	0.811	50	30		FCEARL
C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000252629882	488519152	/nfs/dbraw/zinc/51/91/52/488519152.db2.gz	UPNSWBHJXLRQLB-UHFFFAOYSA-N	-2	0	368.396	0.131	50	30		FCEARL
O=S(=O)([O-])c1ccc2c(c1)[C@H](S(=O)(=O)[O-])CC(=N\O)/C2=N/[O-]	ZINC000100299945	222240158	/nfs/dbraw/zinc/24/01/58/222240158.db2.gz	KATUVLJHHVKHOG-UDNOONFDSA-N	-3	0	350.330	0.274	50	30		FCEARL
COc1ccc(Cc2nnc(NN=C3C(=O)[N-]C(=O)NC3=O)[n-]c2=O)cc1	ZINC000027548624	524168322	/nfs/dbraw/zinc/16/83/22/524168322.db2.gz	ZYFQYYOJKPAXME-UHFFFAOYSA-N	-2	0	371.313	0.151	50	30		FCEARL
O=C([O-])COc1cccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)c1	ZINC000006241237	487494093	/nfs/dbraw/zinc/49/40/93/487494093.db2.gz	IOPFSCUJXIQNEY-UWJMNNEMSA-N	-2	0	351.340	0.546	50	30		FCEARL
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1	ZINC000067690699	221272168	/nfs/dbraw/zinc/27/21/68/221272168.db2.gz	HJHQQYGSYVCLCQ-NSHDSACASA-N	-2	0	370.369	0.809	50	30		FCEARL