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@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005344356	204204247	/nfs/dbraw/zinc/20/42/47/204204247.db2.gz	YCSOWQWBMCGNJO-QFQXNISHSA-N	-2	0	353.377	1.521	10	10		FDCERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000015034871	518706965	/nfs/dbraw/zinc/70/69/65/518706965.db2.gz	RHKZZKCUQQQIID-PAKSIRSJSA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000005344306	207094299	/nfs/dbraw/zinc/09/42/99/207094299.db2.gz	LWMCHNCXVIPFDJ-JRZFIGEHSA-N	-2	0	353.377	1.521	10	10		FDCERL
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000003589968	518276717	/nfs/dbraw/zinc/27/67/17/518276717.db2.gz	HEWZPXBMFIXHJK-VXGBXAGGSA-N	-2	0	362.334	1.696	10	10		FDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S	ZINC000015034692	211115190	/nfs/dbraw/zinc/11/51/90/211115190.db2.gz	FTXVZDHIAVXLEA-CZRQKWQQSA-N	-2	0	369.376	1.227	10	10		FDCERL
O=C([O-])CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000016937884	211173621	/nfs/dbraw/zinc/17/36/21/211173621.db2.gz	WNJWAOGZAUOYCT-XFFZJAGNSA-N	-2	0	367.404	1.826	10	10		FDCERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000015034749	211115368	/nfs/dbraw/zinc/11/53/68/211115368.db2.gz	NYJVPHROPIAMBH-MKVDPYIPSA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000015034753	220142276	/nfs/dbraw/zinc/14/22/76/220142276.db2.gz	NYJVPHROPIAMBH-MDXIRLPMSA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S	ZINC000016934470	220197569	/nfs/dbraw/zinc/19/75/69/220197569.db2.gz	HPALZTMSGRCNPL-GDRUQYFBSA-N	-2	0	369.376	1.227	10	10		FDCERL
Nc1ccc(NN=C2C=C(S(=O)(=O)[O-])C=C(C(=O)[O-])C2=O)c(N)c1	ZINC000111905104	524374431	/nfs/dbraw/zinc/37/44/31/524374431.db2.gz	NIBIQWLKEOSZCH-WUKNDPDISA-N	-2	0	352.328	1.917	10	10		FDCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000005344305	219672330	/nfs/dbraw/zinc/67/23/30/219672330.db2.gz	LWMCHNCXVIPFDJ-QFQXNISHSA-N	-2	0	353.377	1.521	10	10		FDCERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000005344341	204204731	/nfs/dbraw/zinc/20/47/31/204204731.db2.gz	BWZMUFGLOBNIOT-VUBLIPMDSA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000015034598	518705393	/nfs/dbraw/zinc/70/53/93/518705393.db2.gz	VCUDUTXLXSXXMN-AMAGOZFHSA-N	-2	0	353.377	1.521	10	10		FDCERL
O=C1c2cccc(S(=O)(=O)[O-])c2C(=O)c2cccc([S@](=O)[O-])c21	ZINC000616582838	555319783	/nfs/dbraw/zinc/31/97/83/555319783.db2.gz	VEZSVIXXOVZDOZ-UHFFFAOYSA-N	-2	0	352.345	1.289	10	10		FDCERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000015034868	518706703	/nfs/dbraw/zinc/70/67/03/518706703.db2.gz	RHKZZKCUQQQIID-QBQSQJOESA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000015034600	211115661	/nfs/dbraw/zinc/11/56/61/211115661.db2.gz	VCUDUTXLXSXXMN-VUMIPSPVSA-N	-2	0	353.377	1.521	10	10		FDCERL
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013587795	220076984	/nfs/dbraw/zinc/07/69/84/220076984.db2.gz	HEWZPXBMFIXHJK-TXEJJXNPSA-N	-2	0	362.334	1.696	10	10		FDCERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000005344342	518340778	/nfs/dbraw/zinc/34/07/78/518340778.db2.gz	BWZMUFGLOBNIOT-UEUZTHOGSA-N	-2	0	367.404	1.911	10	10		FDCERL
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000003589970	518276869	/nfs/dbraw/zinc/27/68/69/518276869.db2.gz	HEWZPXBMFIXHJK-RYUDHWBXSA-N	-2	0	362.334	1.696	10	10		FDCERL
O=C([O-])CCN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S	ZINC000016937689	220196530	/nfs/dbraw/zinc/19/65/30/220196530.db2.gz	AIYNBJYDQYGGDG-XFFZJAGNSA-N	-2	0	367.404	1.826	10	10		FDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005344357	518341339	/nfs/dbraw/zinc/34/13/39/518341339.db2.gz	YCSOWQWBMCGNJO-JRZFIGEHSA-N	-2	0	353.377	1.521	10	10		FDCERL