smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)[O-])c(O)cc4[C@@]23C1	ZINC000015203729	571735301	/nfs/dbraw/zinc/73/53/01/571735301.db2.gz	HNDYDGVKLJMGCM-AUUYWEPGSA-N	-1	3	407.444	1.154	1	0	endogenous,in-man	HDAFHM
CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000003874235	560191118	/nfs/dbraw/zinc/19/11/18/560191118.db2.gz	CHDYFPCQVUOJEB-IKGGRYGDSA-N	-1	3	409.552	1.410	1	0	in-vitro	HDAFHM
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)C1CC1	ZINC000027736353	581097592	/nfs/dbraw/zinc/09/75/92/581097592.db2.gz	RVJGZMJRZCICFV-QXAKKESOSA-N	-1	3	415.490	1.057	1	0		HDAFHM
CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000003874237	560191171	/nfs/dbraw/zinc/19/11/71/560191171.db2.gz	CHDYFPCQVUOJEB-IXDOHACOSA-N	-1	3	409.552	1.410	1	0	in-vitro	HDAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@H](C(=O)N1CCC(C(C)=O)CC1)C(C)(C)C	ZINC000013537124	581092749	/nfs/dbraw/zinc/09/27/49/581092749.db2.gz	NIQSBYDEZPZESQ-QZTJIDSGSA-N	-1	3	411.543	1.999	1	0		HDAFHM
CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000003874236	560191189	/nfs/dbraw/zinc/19/11/89/560191189.db2.gz	CHDYFPCQVUOJEB-ZACQAIPSSA-N	-1	3	409.552	1.410	1	0	in-vitro	HDAFHM
CO[C@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)[O-])c(O)cc4[C@]23C1	ZINC000015203724	571735040	/nfs/dbraw/zinc/73/50/40/571735040.db2.gz	HNDYDGVKLJMGCM-LIRRHRJNSA-N	-1	3	407.444	1.154	1	0	endogenous,in-man	HDAFHM
CO[C@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)[O-])c(O)cc4[C@@]23C1	ZINC000015203727	571735173	/nfs/dbraw/zinc/73/51/73/571735173.db2.gz	HNDYDGVKLJMGCM-IFXJQAMLSA-N	-1	3	407.444	1.154	1	0	endogenous,in-man	HDAFHM
CO[C@@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)[O-])c(O)cc4[C@]23C1	ZINC000015203726	571735217	/nfs/dbraw/zinc/73/52/17/571735217.db2.gz	HNDYDGVKLJMGCM-KUHUBIRLSA-N	-1	3	407.444	1.154	1	0	endogenous,in-man	HDAFHM
O=C([O-])c1cn(-c2ccc(F)cc2F)c2nc(N3CCNCC3)c(F)cc2c1=O	ZINC000029571518	132227589	/nfs/dbraw/zinc/22/75/89/132227589.db2.gz	CVAQZAKLVQJAQT-UHFFFAOYSA-N	-1	3	404.348	1.911	1	0		HDAFHM
CC(=O)c1c([O-])cc(C)c2c1Oc1c3c(c(O)c(CO)c1OC2=O)C(=O)O[C@@H]3O	ZINC000033833586	291191182	/nfs/dbraw/zinc/19/11/82/291191182.db2.gz	PMPKIGYXRIISEB-IBGZPJMESA-N	-1	3	402.311	1.587	1	0	biogenic,in-vitro	HDAFHM
CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000003874238	560191149	/nfs/dbraw/zinc/19/11/49/560191149.db2.gz	CHDYFPCQVUOJEB-BRWVUGGUSA-N	-1	3	409.552	1.410	1	0	in-vitro	HDAFHM
CN1Cc2cc(C(=O)N3CCN(c4ccncc4)CC3)ccc2N[C@H](CC(=O)[O-])C1=O	ZINC000003812600	132268857	/nfs/dbraw/zinc/26/88/57/132268857.db2.gz	XBGMACJUNQNMBD-LJQANCHMSA-N	-1	3	423.473	1.271	1	0		HDAFHM
CCCN(CCCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(C)=O	ZINC000013778754	581097759	/nfs/dbraw/zinc/09/77/59/581097759.db2.gz	FBLQUOKDTNPZPO-QXAKKESOSA-N	-1	3	403.479	1.057	1	0		HDAFHM
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)CC	ZINC000003933033	581097504	/nfs/dbraw/zinc/09/75/04/581097504.db2.gz	QONGHRWGVXIVSE-KFKAGJAMSA-N	-1	3	403.479	1.057	1	0		HDAFHM
Nc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCNCC4)cc32)c(F)c1	ZINC000005933018	132308644	/nfs/dbraw/zinc/30/86/44/132308644.db2.gz	MZRFLZHSPOOCJV-UHFFFAOYSA-N	-1	3	400.385	1.959	1	0		HDAFHM
CO[C@H]1C=CC2=CCN3CCc4cc(O)c(OS(=O)(=O)CC(=O)[O-])cc4[C@]23C1	ZINC000033831071	291195891	/nfs/dbraw/zinc/19/58/91/291195891.db2.gz	FESQVDOEHMLQJE-LIRRHRJNSA-N	-1	3	407.444	1.154	1	0	biogenic,in-vitro	HDAFHM