smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000034717651	581097122	/nfs/dbraw/zinc/09/71/22/581097122.db2.gz	QXFDWRCPFASXFH-IBGZPJMESA-N	-1	0	420.575	4.169	1	30		HIEFRM
COc1cccc(C(=O)Oc2ccc(C=NNc3ccc(C(=O)[O-])cc3)cc2OC)c1	ZINC000033408757	525840174	/nfs/dbraw/zinc/84/01/74/525840174.db2.gz	DHVQIHOMKVDYMY-OYKKKHCWSA-N	-1	0	420.421	4.067	1	30		HIEFRM
COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C)c4c1n2CCC#N)C(=O)NC3=O	ZINC000014944030	581097346	/nfs/dbraw/zinc/09/73/46/581097346.db2.gz	ZVNYZPSVRMHUSE-UHFFFAOYSA-N	-1	0	422.444	4.245	1	30		HIEFRM
Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c([O-])c(Br)c1)C2	ZINC000026494600	581098373	/nfs/dbraw/zinc/09/83/73/581098373.db2.gz	ULBLWWKORPZDSL-XCVCLJGOSA-N	-1	0	409.077	4.322	1	30		HIEFRM
O=C1/C(=N\[O-])c2ccc(-c3ccccc3)cc2N1Cc1cc(F)cc2c1OCOC2	ZINC000043015101	581099505	/nfs/dbraw/zinc/09/95/05/581099505.db2.gz	GXRUPSWWOKZASF-DAFNUICNSA-N	-1	0	404.397	4.084	1	30		HIEFRM
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@H]2CCCO2)cc1Cl	ZINC000058576268	581098545	/nfs/dbraw/zinc/09/85/45/581098545.db2.gz	VCUGEIFFNXMUDX-CZTZKLFOSA-N	-1	0	421.884	4.244	1	30		HIEFRM
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(=O)c1ccco1	ZINC000033643096	522008262	/nfs/dbraw/zinc/00/82/62/522008262.db2.gz	CEFFPPKYDGVONT-JJFYIABZSA-N	-1	0	414.801	4.305	1	30		HIEFRM
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2C2CCCC2)ccc1C#N	ZINC000058569344	581092902	/nfs/dbraw/zinc/09/29/02/581092902.db2.gz	SSZMAARPGXYFMA-GOTSBHOMSA-N	-1	0	401.466	4.247	1	30		HIEFRM
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@H]3[C@H]2C2CCCC2)ccc1C#N	ZINC000058580986	581092826	/nfs/dbraw/zinc/09/28/26/581092826.db2.gz	SSZMAARPGXYFMA-DHIUTWEWSA-N	-1	0	401.466	4.247	1	30		HIEFRM
CC(C)(O)[C@H]1Cc2cc(C(=O)/C=C/c3ccc4c(c3)CCC(C)(C)O4)c([O-])cc2O1	ZINC000013375652	291261905	/nfs/dbraw/zinc/26/19/05/291261905.db2.gz	YSOHJTIJBIMQNH-NKOINVLESA-N	-1	0	408.494	4.466	1	30	biogenic,in-vitro	HIEFRM
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@@H]2CCCO2)cc1Cl	ZINC000062224766	581098511	/nfs/dbraw/zinc/09/85/11/581098511.db2.gz	VCUGEIFFNXMUDX-RCZSKKKRSA-N	-1	0	421.884	4.244	1	30		HIEFRM
COc1cc2c(c(OC)c1C([O-])=CC(=O)c1ccc3c(c1)OCO3)C=CC(C)(C)O2	ZINC000100077236	291265018	/nfs/dbraw/zinc/26/50/18/291265018.db2.gz	CHMQLCYFVBURMW-GDNBJRDFSA-N	-1	0	410.422	4.399	1	30	biogenic,in-vitro	HIEFRM
CCCCCCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000034717650	581095035	/nfs/dbraw/zinc/09/50/35/581095035.db2.gz	QXFDWRCPFASXFH-LJQANCHMSA-N	-1	0	420.575	4.169	1	30		HIEFRM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000027551539	526020619	/nfs/dbraw/zinc/02/06/19/526020619.db2.gz	UPCOMFCEUSBSML-NRFANRHFSA-N	-1	0	407.466	4.171	1	30		HIEFRM
C=C(C)[C@H](O)Cc1c(O)c(C(=O)C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000014589304	291260787	/nfs/dbraw/zinc/26/07/87/291260787.db2.gz	HUJQDILIRUAUFY-QGZVFWFLSA-N	-1	0	408.450	4.189	1	30	biogenic,in-vitro	HIEFRM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000027551543	526022472	/nfs/dbraw/zinc/02/24/72/526022472.db2.gz	UPCOMFCEUSBSML-OAQYLSRUSA-N	-1	0	407.466	4.171	1	30		HIEFRM