smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]5O4	ZINC000008035999	561704974	/nfs/dbraw/zinc/70/49/74/561704974.db2.gz	APSUXPSYBJVPPS-FICVEDQLSA-N	2	1	661.799	3.824	10	0	in-vitro	KHAEMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@@H]5O4	ZINC000008035999	561704972	/nfs/dbraw/zinc/70/49/72/561704972.db2.gz	APSUXPSYBJVPPS-FICVEDQLSA-N	2	1	661.799	3.824	10	0	in-vitro	KHAEMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C[C@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@@H]5O4	ZINC000008035999	561704970	/nfs/dbraw/zinc/70/49/70/561704970.db2.gz	APSUXPSYBJVPPS-FICVEDQLSA-N	2	1	661.799	3.824	10	0	in-vitro	KHAEMP
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)[nH]c1=O	ZINC000012281138	553356365	/nfs/dbraw/zinc/35/63/65/553356365.db2.gz	QBZXSMVHZAYYIU-RUZDIDTESA-N	2	1	506.691	3.910	10	0		KHAEMP
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)[nH]c1=O	ZINC000012281139	553356248	/nfs/dbraw/zinc/35/62/48/553356248.db2.gz	QBZXSMVHZAYYIU-VWLOTQADSA-N	2	1	506.691	3.910	10	0		KHAEMP
C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)C[N@H+]3Cc3cccc(F)c3)CC2)CC1	ZINC000015003561	553525147	/nfs/dbraw/zinc/52/51/47/553525147.db2.gz	DRWXYEVSZOOCLD-SXOMAYOGSA-N	2	1	514.686	3.938	10	0		KHAEMP
C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)C[N@@H+]3Cc3cccc(F)c3)CC2)CC1	ZINC000015003561	553525145	/nfs/dbraw/zinc/52/51/45/553525145.db2.gz	DRWXYEVSZOOCLD-SXOMAYOGSA-N	2	1	514.686	3.938	10	0		KHAEMP
CC[C@H]1C[NH+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@H+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@@H]1O	ZINC000085537106	562753180	/nfs/dbraw/zinc/75/31/80/562753180.db2.gz	WZESQBIPMBSRTJ-RDTUBTDSSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CC[C@H]1C[NH+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@@H+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@@H]1O	ZINC000085537106	562753179	/nfs/dbraw/zinc/75/31/79/562753179.db2.gz	WZESQBIPMBSRTJ-RDTUBTDSSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CC[C@H]1C[N@H+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[NH+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@@H]1O	ZINC000085537106	562753178	/nfs/dbraw/zinc/75/31/78/562753178.db2.gz	WZESQBIPMBSRTJ-RDTUBTDSSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CC[C@H]1C[NH+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@H+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@H]1O	ZINC000085537107	562753175	/nfs/dbraw/zinc/75/31/75/562753175.db2.gz	WZESQBIPMBSRTJ-LKNSBVEGSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CC[C@H]1C[NH+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@@H+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@H]1O	ZINC000085537107	562753174	/nfs/dbraw/zinc/75/31/74/562753174.db2.gz	WZESQBIPMBSRTJ-LKNSBVEGSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CC[C@H]1C[N@H+]2C[C@H](C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[NH+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)c3[nH]c4ccccc4c3CC2)[C@H]1O	ZINC000085537107	562753173	/nfs/dbraw/zinc/75/31/73/562753173.db2.gz	WZESQBIPMBSRTJ-LKNSBVEGSA-N	2	1	810.989	3.847	10	0	in-man	KHAEMP
CCC(=O)C[C@H]1C[NH2+]CCc2c3ccccc3[nH]c2[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@@H]2[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C1	ZINC000094313265	553697508	/nfs/dbraw/zinc/69/75/08/553697508.db2.gz	GHCGXAFOOQYBDC-QPSORRKESA-N	2	1	810.945	3.630	10	0	in-vitro	KHAEMP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@H+]1[C@H]42	ZINC000095543572	553703087	/nfs/dbraw/zinc/70/30/87/553703087.db2.gz	QZRIMAMDGWAHPQ-ATPAGDLWSA-N	2	1	794.902	3.997	10	0	biogenic	KHAEMP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@@H+]1[C@H]42	ZINC000095543572	553703085	/nfs/dbraw/zinc/70/30/85/553703085.db2.gz	QZRIMAMDGWAHPQ-ATPAGDLWSA-N	2	1	794.902	3.997	10	0	biogenic	KHAEMP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[NH+]1[C@H]42	ZINC000095543572	553703084	/nfs/dbraw/zinc/70/30/84/553703084.db2.gz	QZRIMAMDGWAHPQ-ATPAGDLWSA-N	2	1	794.902	3.997	10	0	biogenic	KHAEMP
CC[C@@]1(O)C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000095628230	562788060	/nfs/dbraw/zinc/78/80/60/562788060.db2.gz	JXLYSJRDGCGARV-DVOOFMKJSA-N	2	1	810.989	3.991	10	0	in-man	KHAEMP
CC[C@@]1(O)C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000095628230	562788059	/nfs/dbraw/zinc/78/80/59/562788059.db2.gz	JXLYSJRDGCGARV-DVOOFMKJSA-N	2	1	810.989	3.991	10	0	in-man	KHAEMP
CC[C@@]1(O)C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000095628230	562788058	/nfs/dbraw/zinc/78/80/58/562788058.db2.gz	JXLYSJRDGCGARV-DVOOFMKJSA-N	2	1	810.989	3.991	10	0	in-man	KHAEMP