smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629486	939155259	/nfs/dbraw/zinc/15/52/59/939155259.db2.gz	OFKKEEMVGODXAM-SFHVURJKSA-N	-1	0	425.463	1.309	20	30		IDEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000762250826	939073650	/nfs/dbraw/zinc/07/36/50/939073650.db2.gz	ZWEUZUGOSCISCS-KDOFPFPSSA-N	-1	0	437.518	1.282	20	30		IDEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(C(=O)[O-])CCSC1	ZINC000776665530	939102946	/nfs/dbraw/zinc/10/29/46/939102946.db2.gz	SRYXNSWPUPCJGG-GOSISDBHSA-N	-1	0	425.532	1.362	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000790629409	939155216	/nfs/dbraw/zinc/15/52/16/939155216.db2.gz	LEVDSAUWQBJEFY-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CCO[C@@H]1C[C@](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)[O-])C1(C)C	ZINC000799250552	939213934	/nfs/dbraw/zinc/21/39/34/939213934.db2.gz	KUSFEYZXHANYAK-QRWLVFNGSA-N	-1	0	437.518	1.280	20	30		IDEDRM
C=CCc1cc(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc(OC)c1OC	ZINC000566599119	939355369	/nfs/dbraw/zinc/35/53/69/939355369.db2.gz	LVWSZLRQLDMVIB-UHFFFAOYSA-N	-1	0	426.491	1.264	20	30		IDEDRM
O=C([O-])[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCc2ccccc21	ZINC000776621929	939089825	/nfs/dbraw/zinc/08/98/25/939089825.db2.gz	XEFYREDJFMBSDR-NRFANRHFSA-N	-1	0	427.482	1.548	20	30		IDEDRM
COc1ccc([C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000776650641	939096646	/nfs/dbraw/zinc/09/66/46/939096646.db2.gz	MCKFOQVNKYSLRN-SFHVURJKSA-N	-1	0	431.470	1.456	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000790627610	939152860	/nfs/dbraw/zinc/15/28/60/939152860.db2.gz	JWMDOOKLZFQIJJ-GOSISDBHSA-N	-1	0	427.454	1.581	20	30		IDEDRM
O=C([O-])[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCc2ccccc21	ZINC000776621931	939089629	/nfs/dbraw/zinc/08/96/29/939089629.db2.gz	XEFYREDJFMBSDR-OAQYLSRUSA-N	-1	0	427.482	1.548	20	30		IDEDRM
COc1ccc([C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000776650639	939096558	/nfs/dbraw/zinc/09/65/58/939096558.db2.gz	MCKFOQVNKYSLRN-GOSISDBHSA-N	-1	0	431.470	1.456	20	30		IDEDRM
O=C([O-])[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(F)c1	ZINC000776688528	939105599	/nfs/dbraw/zinc/10/55/99/939105599.db2.gz	QLJLISFFXRQLAK-OAHLLOKOSA-N	-1	0	425.825	1.460	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000790627200	939152374	/nfs/dbraw/zinc/15/23/74/939152374.db2.gz	GSPCICKGDMGYGT-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC[C@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000795540783	939157415	/nfs/dbraw/zinc/15/74/15/939157415.db2.gz	ZZVJGUVNQVEUQG-LJQANCHMSA-N	-1	0	435.889	1.885	20	30		IDEDRM
CC[C@@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000795540782	939157231	/nfs/dbraw/zinc/15/72/31/939157231.db2.gz	ZZVJGUVNQVEUQG-IBGZPJMESA-N	-1	0	435.889	1.885	20	30		IDEDRM
O=C([O-])[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000776617518	939088224	/nfs/dbraw/zinc/08/82/24/939088224.db2.gz	PPWNPYMHWDRZEK-KRWDZBQOSA-N	-1	0	437.424	1.726	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000790627332	939152503	/nfs/dbraw/zinc/15/25/03/939152503.db2.gz	IESXIIZZKDSGJS-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000790627616	939152832	/nfs/dbraw/zinc/15/28/32/939152832.db2.gz	JYQXHEVKGJLOHI-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1	ZINC000790631088	939156019	/nfs/dbraw/zinc/15/60/19/939156019.db2.gz	ZJIIKHNPDOMZOI-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000790630981	939156268	/nfs/dbraw/zinc/15/62/68/939156268.db2.gz	WHHCOCDYPDDUMC-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C#N	ZINC000095953003	569376677	/nfs/dbraw/zinc/37/66/77/569376677.db2.gz	YNOXLVZXUMLJBZ-UHFFFAOYSA-N	-1	0	437.525	1.316	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000790627330	939152541	/nfs/dbraw/zinc/15/25/41/939152541.db2.gz	IESXIIZZKDSGJS-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000790627614	939152811	/nfs/dbraw/zinc/15/28/11/939152811.db2.gz	JWMDOOKLZFQIJJ-SFHVURJKSA-N	-1	0	427.454	1.581	20	30		IDEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000790629483	939155105	/nfs/dbraw/zinc/15/51/05/939155105.db2.gz	OFKKEEMVGODXAM-GOSISDBHSA-N	-1	0	425.463	1.309	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000790629201	939155168	/nfs/dbraw/zinc/15/51/68/939155168.db2.gz	KZSUYNBHMMIUFP-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CCO[C@@H]1C[C@@](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)[O-])C1(C)C	ZINC000799250551	939213847	/nfs/dbraw/zinc/21/38/47/939213847.db2.gz	KUSFEYZXHANYAK-FOIQADDNSA-N	-1	0	437.518	1.280	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000790629410	939155098	/nfs/dbraw/zinc/15/50/98/939155098.db2.gz	LEVDSAUWQBJEFY-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000790627201	939152612	/nfs/dbraw/zinc/15/26/12/939152612.db2.gz	GSPCICKGDMGYGT-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000790627618	939152776	/nfs/dbraw/zinc/15/27/76/939152776.db2.gz	JYQXHEVKGJLOHI-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000790627581	939152974	/nfs/dbraw/zinc/15/29/74/939152974.db2.gz	JIUBWRJFWVDDPB-QGZVFWFLSA-N	-1	0	431.417	1.579	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000790630980	939156274	/nfs/dbraw/zinc/15/62/74/939156274.db2.gz	WHHCOCDYPDDUMC-KRWDZBQOSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000790629202	939155147	/nfs/dbraw/zinc/15/51/47/939155147.db2.gz	KZSUYNBHMMIUFP-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1	ZINC000790631090	939156139	/nfs/dbraw/zinc/15/61/39/939156139.db2.gz	ZJIIKHNPDOMZOI-QGZVFWFLSA-N	-1	0	429.882	1.954	20	30		IDEDRM
O=C([O-])[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000776617520	939088256	/nfs/dbraw/zinc/08/82/56/939088256.db2.gz	PPWNPYMHWDRZEK-QGZVFWFLSA-N	-1	0	437.424	1.726	20	30		IDEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)[O-])CCSC1	ZINC000776665531	939103357	/nfs/dbraw/zinc/10/33/57/939103357.db2.gz	SRYXNSWPUPCJGG-SFHVURJKSA-N	-1	0	425.532	1.362	20	30		IDEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)[O-])CCSCC1	ZINC000776663741	939102282	/nfs/dbraw/zinc/10/22/82/939102282.db2.gz	LFRJPAAHOPBVEK-UHFFFAOYSA-N	-1	0	439.559	1.752	20	30		IDEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000762250827	939073852	/nfs/dbraw/zinc/07/38/52/939073852.db2.gz	ZWEUZUGOSCISCS-KSSFIOAISA-N	-1	0	437.518	1.282	20	30		IDEDRM
O=C([O-])[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(F)c1	ZINC000776688527	939105605	/nfs/dbraw/zinc/10/56/05/939105605.db2.gz	QLJLISFFXRQLAK-HNNXBMFYSA-N	-1	0	425.825	1.460	20	30		IDEDRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000790627580	939152307	/nfs/dbraw/zinc/15/23/07/939152307.db2.gz	JIUBWRJFWVDDPB-KRWDZBQOSA-N	-1	0	431.417	1.579	20	30		IDEDRM