smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2cc(Cl)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000003804364	181046022	/nfs/dbraw/zinc/04/60/22/181046022.db2.gz	HOSVVXRRMIIWHJ-CCGCGBOQSA-N	0	0	303.662	-0.531	1	10		DBCFRN
[NH3+][C@H](Cc1cc(O)c(O)c(SC[C@@H]([NH3+])C(=O)[O-])c1)C(=O)[O-]	ZINC000005783977	181283512	/nfs/dbraw/zinc/28/35/12/181283512.db2.gz	SXISMOAILJWTID-RNFRBKRXSA-N	0	0	316.335	-0.444	1	10		DBCFRN
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc3c2nc[nH]c3=O)[C@@H](F)[C@@H]1O	ZINC000073161176	191286481	/nfs/dbraw/zinc/28/64/81/191286481.db2.gz	OGBVLDBUIBYRKU-JRPBRRGXSA-N	0	0	310.245	-0.049	1	10		DBCFRN
COC(=O)[C@H](O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)OC	ZINC000015219238	571736598	/nfs/dbraw/zinc/73/65/98/571736598.db2.gz	QHQANDJGWIVAAC-GXFFZTMASA-N	0	0	300.263	-0.922	1	10	endogenous,in-man	DBCFRN
Cn1c2[nH]c(N=Nc3c(N)n[nH]c3N)nc2c(=O)n(C)c1=O	ZINC000005500375	181250803	/nfs/dbraw/zinc/25/08/03/181250803.db2.gz	XELPCPXHVIAGCG-OBGWFSINSA-N	0	0	304.274	-0.737	1	10		DBCFRN
[NH3+][C@@H](CSc1c(C[C@H]([NH3+])C(=O)[O-])ccc(O)c1O)C(=O)[O-]	ZINC000006091742	181312059	/nfs/dbraw/zinc/31/20/59/181312059.db2.gz	IAGPESOLVJAEAG-BQBZGAKWSA-N	0	0	316.335	-0.444	1	10	in-vitro	DBCFRN
[N-]=[N+]=NCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O	ZINC000043919925	183389279	/nfs/dbraw/zinc/38/92/79/183389279.db2.gz	OBRNFMMUYDCWNR-UHFFFAOYSA-N	0	0	308.258	-0.471	1	10		DBCFRN
COC(=O)[C@H](O)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)OC	ZINC000015219232	571736695	/nfs/dbraw/zinc/73/66/95/571736695.db2.gz	QHQANDJGWIVAAC-GWCFXTLKSA-N	0	0	300.263	-0.922	1	10	endogenous,in-man	DBCFRN
[NH3+][C@H](CSc1cc(C[C@H]([NH3+])C(=O)[O-])cc(O)c1O)C(=O)[O-]	ZINC000005783976	181283803	/nfs/dbraw/zinc/28/38/03/181283803.db2.gz	SXISMOAILJWTID-NKWVEPMBSA-N	0	0	316.335	-0.444	1	10		DBCFRN
CN(C)/N=N\c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H]1CO1	ZINC000013137089	181832839	/nfs/dbraw/zinc/83/28/39/181832839.db2.gz	ZAGBBAZLBVIKEV-DZARACRASA-N	0	0	307.314	-0.607	1	10		DBCFRN
COC(=O)[C@@H](O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)OC	ZINC000015219235	571736514	/nfs/dbraw/zinc/73/65/14/571736514.db2.gz	QHQANDJGWIVAAC-ZWNOBZJWSA-N	0	0	300.263	-0.922	1	10	endogenous,in-man	DBCFRN
COC(=O)[C@@H](O)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)OC	ZINC000015219230	571736499	/nfs/dbraw/zinc/73/64/99/571736499.db2.gz	QHQANDJGWIVAAC-MFKMUULPSA-N	0	0	300.263	-0.922	1	10	endogenous,in-man	DBCFRN
[NH3+][C@@H](CSc1cc(C[C@@H]([NH3+])C(=O)[O-])cc(O)c1O)C(=O)[O-]	ZINC000005783974	181283609	/nfs/dbraw/zinc/28/36/09/181283609.db2.gz	SXISMOAILJWTID-RQJHMYQMSA-N	0	0	316.335	-0.444	1	10		DBCFRN
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000095909978	560059257	/nfs/dbraw/zinc/05/92/57/560059257.db2.gz	PSYRONNZYLYIOG-RBBVTJSLSA-N	0	0	312.274	-0.907	1	10	biogenic,in-vitro	DBCFRN