smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(-c2noc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)n2)c1	ZINC000218399143	568479717	/nfs/dbraw/zinc/47/97/17/568479717.db2.gz	DDRJYKPUPCNMBC-UHFFFAOYSA-N	-1	0	402.432	2.047	40	70		HEIBRM
CC[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	ZINC000218398661	568479752	/nfs/dbraw/zinc/47/97/52/568479752.db2.gz	MFZJJXZJZHGAFF-MRXNPFEDSA-N	-1	0	410.517	2.343	40	70		HEIBRM
COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3[N-]S(C)(=O)=O)n2)cc1	ZINC000218400156	568479781	/nfs/dbraw/zinc/47/97/81/568479781.db2.gz	HMRANUHKARLZPW-UHFFFAOYSA-N	-1	0	416.459	2.389	40	70		HEIBRM
CC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	ZINC000218398745	568479787	/nfs/dbraw/zinc/47/97/87/568479787.db2.gz	MFZJJXZJZHGAFF-INIZCTEOSA-N	-1	0	410.517	2.343	40	70		HEIBRM
COc1ccc(-c2noc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)n2)cc1	ZINC000218399257	568479779	/nfs/dbraw/zinc/47/97/79/568479779.db2.gz	KZDKPDKUYFCOCY-UHFFFAOYSA-N	-1	0	402.432	2.047	40	70		HEIBRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216843157	568468037	/nfs/dbraw/zinc/46/80/37/568468037.db2.gz	RBMLXZGSXCJBIM-UHFFFAOYSA-N	-1	0	407.467	2.023	40	70		HEIBRM
COc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000216844651	568468246	/nfs/dbraw/zinc/46/82/46/568468246.db2.gz	XJGRPAPKVCJMNG-UHFFFAOYSA-N	-1	0	407.467	2.023	40	70		HEIBRM
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000218394919	568479713	/nfs/dbraw/zinc/47/97/13/568479713.db2.gz	SLDQPSNRWLJLLT-UHFFFAOYSA-N	-1	0	408.432	2.114	40	70		HEIBRM
COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3[N-]S(C)(=O)=O)n2)c1	ZINC000218400067	568479755	/nfs/dbraw/zinc/47/97/55/568479755.db2.gz	OMWTYNSPWSIYOY-UHFFFAOYSA-N	-1	0	416.459	2.389	40	70		HEIBRM
COc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000216844551	568468343	/nfs/dbraw/zinc/46/83/43/568468343.db2.gz	FNGNJANEIIKHQZ-UHFFFAOYSA-N	-1	0	403.504	2.192	40	70		HEIBRM