smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)n(-c4ccccc4)c(=S)[nH]c3=O)C2=O)cc1	ZINC000100137465	557111302	/nfs/dbraw/zinc/11/13/02/557111302.db2.gz	CKZASBIIUSLSHV-RBFDBLARSA-N	-3	1	448.460	1.568	40	10		IDCBML
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000036613190	556507443	/nfs/dbraw/zinc/50/74/43/556507443.db2.gz	SOHSRRKWYZLCAB-OITNDJBGSA-N	-2	1	442.427	1.828	40	10		IDCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408910012	556887503	/nfs/dbraw/zinc/88/75/03/556887503.db2.gz	INNOTNWCWDLACE-FPYGCLRLSA-N	-2	1	429.248	1.178	40	10		IDCBML
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408937087	556896862	/nfs/dbraw/zinc/89/68/62/556896862.db2.gz	MKTZUNSDIKIVHX-WUXMJOGZSA-N	-2	1	427.325	1.674	40	10		IDCBML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)n(-c4ccccc4)c(=S)[nH]c3=O)C2=O)cc1	ZINC000100137472	557111275	/nfs/dbraw/zinc/11/12/75/557111275.db2.gz	CKZASBIIUSLSHV-SFKKXYGYSA-N	-3	1	448.460	1.568	40	10		IDCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408909604	556887351	/nfs/dbraw/zinc/88/73/51/556887351.db2.gz	HKWPMIYRQAXHHD-FPYGCLRLSA-N	-2	1	429.248	1.178	40	10		IDCBML
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408916784	556890581	/nfs/dbraw/zinc/89/05/81/556890581.db2.gz	HJTZYWRZCDTMHB-RUDMXATFSA-N	-2	1	443.275	1.568	40	10		IDCBML
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000036613191	556507551	/nfs/dbraw/zinc/50/75/51/556507551.db2.gz	SOHSRRKWYZLCAB-QKNMJKLUSA-N	-2	1	442.427	1.828	40	10		IDCBML
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408916904	556888669	/nfs/dbraw/zinc/88/86/69/556888669.db2.gz	IKFRWHLWYGPMGE-RUDMXATFSA-N	-2	1	443.275	1.568	40	10		IDCBML
CN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408910048	556887497	/nfs/dbraw/zinc/88/74/97/556887497.db2.gz	IWZGSTUXCZSATQ-FARCUNLSSA-N	-2	1	433.667	1.822	40	10		IDCBML