smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c([O-])c2ccccc2oc1=O	ZINC000217648293	205940074	/nfs/dbraw/zinc/94/00/74/205940074.db2.gz	VWVSGAODKQJKRQ-AWEZNQCLSA-N	-1	0	382.368	2.965	50	70		GFIARM
Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCOCC3)c([O-])n2n1	ZINC000218435671	534714559	/nfs/dbraw/zinc/71/45/59/534714559.db2.gz	IQBWIWQYMZIVHD-ZDUSSCGKSA-N	-1	0	396.419	2.828	50	70		GFIARM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])cc(C)oc1=O	ZINC000217998871	209184311	/nfs/dbraw/zinc/18/43/11/209184311.db2.gz	CLQLJOHXQPMBEU-HNNXBMFYSA-N	-1	0	395.411	2.610	50	70		GFIARM
CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC3CCOCC3)c2)cc1F	ZINC000218246252	570818547	/nfs/dbraw/zinc/81/85/47/570818547.db2.gz	VODYZMNRMMAQDH-UHFFFAOYSA-N	-1	0	383.445	2.648	50	70		GFIARM
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000160496592	551581153	/nfs/dbraw/zinc/58/11/53/551581153.db2.gz	XCIHSOGIJVTCKK-UHFFFAOYSA-N	-1	0	378.479	2.515	50	70		GFIARM
Cc1nc2sc([C@@H](c3ccc(F)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218531882	570336385	/nfs/dbraw/zinc/33/63/85/570336385.db2.gz	IRPUIUIWXBYCNK-CQSZACIVSA-N	-1	0	395.891	2.934	50	70		GFIARM
[O-]c1c([C@@H](c2cccc(OC(F)F)c2)N2CCOCC2)sc2ncnn12	ZINC000218455130	570890620	/nfs/dbraw/zinc/89/06/20/570890620.db2.gz	AWBHRWIWINOWML-GFCCVEGCSA-N	-1	0	382.392	2.519	50	70		GFIARM
Cc1nc2sc([C@H](c3ccc(F)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218531948	222589055	/nfs/dbraw/zinc/58/90/55/222589055.db2.gz	IRPUIUIWXBYCNK-AWEZNQCLSA-N	-1	0	395.891	2.934	50	70		GFIARM
CN1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(Cl)c2F)CC1	ZINC000218468332	553053836	/nfs/dbraw/zinc/05/38/36/553053836.db2.gz	FEFOTZYNTJUFGT-ZDUSSCGKSA-N	-1	0	381.864	2.626	50	70		GFIARM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCCC2)c(OC)c1OC	ZINC000218528757	570336441	/nfs/dbraw/zinc/33/64/41/570336441.db2.gz	XFHAPSRIBQMEHB-CYBMUJFWSA-N	-1	0	390.465	2.707	50	70		GFIARM
COc1cc(OC)c(OC)c([C@@H](c2sc3ncnn3c2[O-])N2CCCC2)c1	ZINC000218598299	570337426	/nfs/dbraw/zinc/33/74/26/570337426.db2.gz	PTFPOAAKDNJCOH-AWEZNQCLSA-N	-1	0	390.465	2.707	50	70		GFIARM
[O-]c1c([C@H](c2cccc(OC(F)F)c2)N2CCOCC2)sc2ncnn12	ZINC000218455053	570890497	/nfs/dbraw/zinc/89/04/97/570890497.db2.gz	AWBHRWIWINOWML-LBPRGKRZSA-N	-1	0	382.392	2.519	50	70		GFIARM
CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC3CCOCC3)c2)cc1C	ZINC000218246152	570818351	/nfs/dbraw/zinc/81/83/51/570818351.db2.gz	ANIIGMFQYSVQDJ-UHFFFAOYSA-N	-1	0	379.482	2.818	50	70		GFIARM
Cc1nc2sc([C@@H](c3cccc(Cl)c3F)N3CCN(C)CC3)c([O-])n2n1	ZINC000218555277	208837877	/nfs/dbraw/zinc/83/78/77/208837877.db2.gz	FHKHTRDWADCQGQ-CQSZACIVSA-N	-1	0	395.891	2.934	50	70		GFIARM
COc1nccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1	ZINC000217461656	211749555	/nfs/dbraw/zinc/74/95/55/211749555.db2.gz	NSUUELSMOYWSPK-UHFFFAOYSA-N	-1	0	390.465	2.805	50	70		GFIARM
CN1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(Cl)c2F)CC1	ZINC000218468253	553053846	/nfs/dbraw/zinc/05/38/46/553053846.db2.gz	FEFOTZYNTJUFGT-CYBMUJFWSA-N	-1	0	381.864	2.626	50	70		GFIARM
Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCOCC3)c([O-])n2n1	ZINC000218544044	570336703	/nfs/dbraw/zinc/33/67/03/570336703.db2.gz	XJFPUJVALBHOKC-CYBMUJFWSA-N	-1	0	384.383	2.644	50	70		GFIARM
Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCOCC3)c([O-])n2n1	ZINC000218544137	570336781	/nfs/dbraw/zinc/33/67/81/570336781.db2.gz	XJFPUJVALBHOKC-ZDUSSCGKSA-N	-1	0	384.383	2.644	50	70		GFIARM
COc1cc(OC)c(OC)c([C@H](c2sc3ncnn3c2[O-])N2CCCC2)c1	ZINC000218598372	570337503	/nfs/dbraw/zinc/33/75/03/570337503.db2.gz	PTFPOAAKDNJCOH-CQSZACIVSA-N	-1	0	390.465	2.707	50	70		GFIARM
Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCOCC3)c([O-])n2n1	ZINC000218435759	534715645	/nfs/dbraw/zinc/71/56/45/534715645.db2.gz	IQBWIWQYMZIVHD-CYBMUJFWSA-N	-1	0	396.419	2.828	50	70		GFIARM
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCCC2)c(OC)c1OC	ZINC000218528675	570336362	/nfs/dbraw/zinc/33/63/62/570336362.db2.gz	XFHAPSRIBQMEHB-ZDUSSCGKSA-N	-1	0	390.465	2.707	50	70		GFIARM