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](c1ccc(O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218086394	536313477	/nfs/dbraw/zinc/31/34/77/536313477.db2.gz	ZMENOSBMOVAOFU-NSHDSACASA-N	-1	0	334.324	2.063	50	70	biogenic	EEIARM
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c([O-])cc(C)oc1=O	ZINC000218029992	241291498	/nfs/dbraw/zinc/29/14/98/241291498.db2.gz	SZBYGNNHLYMQKY-GFCCVEGCSA-N	-1	0	346.335	2.120	50	70	biogenic	EEIARM
Cc1nccn1CC[C@H](NC(=O)c1cc(=O)[n-]o1)c1ccccc1	ZINC000217626403	241262933	/nfs/dbraw/zinc/26/29/33/241262933.db2.gz	KKDSWZTZMYZTKN-AWEZNQCLSA-N	-1	0	326.356	2.447	50	70		EEIARM
O=S(=O)([N-]CC[C@@H](O)c1ccsc1)c1c(F)cccc1F	ZINC000217536251	241257000	/nfs/dbraw/zinc/25/70/00/241257000.db2.gz	XCUMXKRBKMCXGJ-GFCCVEGCSA-N	-1	0	333.381	2.428	50	70		EEIARM
Cc1nccn1CC[C@@H](NC(=O)c1cc(=O)[n-]o1)c1ccccc1	ZINC000217626320	241263335	/nfs/dbraw/zinc/26/33/35/241263335.db2.gz	KKDSWZTZMYZTKN-CQSZACIVSA-N	-1	0	326.356	2.447	50	70		EEIARM
O=S(=O)([N-]CCSC1CCOCC1)c1c(F)cccc1F	ZINC000217710017	241270594	/nfs/dbraw/zinc/27/05/94/241270594.db2.gz	GNWYVPBAZPTUNN-UHFFFAOYSA-N	-1	0	337.413	2.155	50	70		EEIARM
O=C(NCCc1n[nH]c(=O)[n-]1)C1(c2ccc(Cl)cc2)CCCCC1	ZINC000218338595	241315238	/nfs/dbraw/zinc/31/52/38/241315238.db2.gz	VGHAPSSGZXGWBE-UHFFFAOYSA-N	-1	0	348.834	2.312	50	70		EEIARM
Cc1nc2sc([C@H](c3ccsc3)N3CCOCC3)c([O-])n2n1	ZINC000218436989	464109280	/nfs/dbraw/zinc/10/92/80/464109280.db2.gz	NJBPFGQYYKSHOY-NSHDSACASA-N	-1	0	336.442	2.288	50	70		EEIARM
O=S(=O)([N-]CC[C@H](O)c1ccsc1)c1c(F)cccc1F	ZINC000217536168	241257818	/nfs/dbraw/zinc/25/78/18/241257818.db2.gz	XCUMXKRBKMCXGJ-LBPRGKRZSA-N	-1	0	333.381	2.428	50	70		EEIARM
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218086327	241296500	/nfs/dbraw/zinc/29/65/00/241296500.db2.gz	ZMENOSBMOVAOFU-LLVKDONJSA-N	-1	0	334.324	2.063	50	70	biogenic	EEIARM
O=S(=O)([N-]c1cnn(CC2CCOCC2)c1)c1cccc(F)c1	ZINC000218242871	464109321	/nfs/dbraw/zinc/10/93/21/464109321.db2.gz	PNZICDBVFBICPG-UHFFFAOYSA-N	-1	0	339.392	2.250	50	70		EEIARM
Cc1nc2sc([C@@H](c3ccsc3)N3CCOCC3)c([O-])n2n1	ZINC000218436919	241321191	/nfs/dbraw/zinc/32/11/91/241321191.db2.gz	NJBPFGQYYKSHOY-LLVKDONJSA-N	-1	0	336.442	2.288	50	70		EEIARM
Cc1noc(C)c1CCCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000218780087	241346031	/nfs/dbraw/zinc/34/60/31/241346031.db2.gz	CXZIAOYJRWHVRO-UHFFFAOYSA-N	-1	0	340.383	2.133	50	70		EEIARM
Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CCOCC3)c2)s1	ZINC000218242553	464108446	/nfs/dbraw/zinc/10/84/46/464108446.db2.gz	DBTPCBSYJKPPDK-UHFFFAOYSA-N	-1	0	341.458	2.480	50	70		EEIARM
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c([O-])cc(C)oc1=O	ZINC000218030094	536313469	/nfs/dbraw/zinc/31/34/69/536313469.db2.gz	SZBYGNNHLYMQKY-LBPRGKRZSA-N	-1	0	346.335	2.120	50	70	biogenic	EEIARM
Cc1nc2sc([C@H](c3ccsc3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218501809	302685693	/nfs/dbraw/zinc/68/56/93/302685693.db2.gz	VSBYNKPUQBJFIS-LBPRGKRZSA-N	-1	0	349.485	2.203	50	70		EEIARM
Cc1nc2sc([C@@H](c3ccsc3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218501706	241326857	/nfs/dbraw/zinc/32/68/57/241326857.db2.gz	VSBYNKPUQBJFIS-GFCCVEGCSA-N	-1	0	349.485	2.203	50	70		EEIARM
C[C@H](NC(=O)CCc1ccc(-c2cccs2)o1)c1n[nH]c(=O)[n-]1	ZINC000217783432	241274006	/nfs/dbraw/zinc/27/40/06/241274006.db2.gz	DKGDYTADSVQJMX-VIFPVBQESA-N	-1	0	332.385	2.230	50	70		EEIARM
C[C@@H](NC(=O)CCc1ccc(-c2cccs2)o1)c1n[nH]c(=O)[n-]1	ZINC000217783351	241275461	/nfs/dbraw/zinc/27/54/61/241275461.db2.gz	DKGDYTADSVQJMX-SECBINFHSA-N	-1	0	332.385	2.230	50	70		EEIARM