smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(CC3CCOCC3)c2)c(C)c1	ZINC000218247919	568836995	/nfs/dbraw/zinc/83/69/95/568836995.db2.gz	OHZBSJHFMMDNES-UHFFFAOYSA-N	-1	0	406.508	2.767	50	70		HFIARM
COC(=O)C[C@H](c1ccc(Cl)cc1Cl)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218568263	568481897	/nfs/dbraw/zinc/48/18/97/568481897.db2.gz	RUBUMNZTJZVXGU-SNVBAGLBSA-N	-1	0	400.214	2.869	50	70		HFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2cccs2)cn1	ZINC000217974225	568921794	/nfs/dbraw/zinc/92/17/94/568921794.db2.gz	DAUSHMJBZIEAFA-UHFFFAOYSA-N	-1	0	400.489	2.838	50	70		HFIARM
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c([O-])c2ccccc2oc1=O	ZINC000217601922	568897866	/nfs/dbraw/zinc/89/78/66/568897866.db2.gz	FDWCKZGIAWVZGI-AWEZNQCLSA-N	-1	0	412.394	2.973	50	70	biogenic	HFIARM
COC(=O)COc1ccccc1[C@H](CC(=O)OC)c1c([O-])c2ccccc2oc1=O	ZINC000217881600	568917423	/nfs/dbraw/zinc/91/74/23/568917423.db2.gz	CYSRFJKGSTTXDE-HNNXBMFYSA-N	-1	0	412.394	2.745	50	70	biogenic	HFIARM
COC(=O)C[C@@H](c1ccc(Cl)cc1Cl)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218568340	568481877	/nfs/dbraw/zinc/48/18/77/568481877.db2.gz	RUBUMNZTJZVXGU-JTQLQIEISA-N	-1	0	400.214	2.869	50	70		HFIARM
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c([O-])c2ccccc2oc1=O	ZINC000217601843	568897851	/nfs/dbraw/zinc/89/78/51/568897851.db2.gz	FDWCKZGIAWVZGI-CQSZACIVSA-N	-1	0	412.394	2.973	50	70	biogenic	HFIARM
COC(=O)COc1ccccc1[C@@H](CC(=O)OC)c1c([O-])c2ccccc2oc1=O	ZINC000217881522	568917542	/nfs/dbraw/zinc/91/75/42/568917542.db2.gz	CYSRFJKGSTTXDE-OAHLLOKOSA-N	-1	0	412.394	2.745	50	70	biogenic	HFIARM
Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3ccsc3-c3nc(C4CC4)no3)cc21	ZINC000217286960	568868503	/nfs/dbraw/zinc/86/85/03/568868503.db2.gz	YOYOJHKAUIYUHJ-UHFFFAOYSA-N	-1	0	418.456	2.921	50	70		HFIARM
Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218437292	568480329	/nfs/dbraw/zinc/48/03/29/568480329.db2.gz	XGXZXHAKKZRWAA-AWEZNQCLSA-N	-1	0	409.462	2.743	50	70		HFIARM
CC(=O)c1ccc2c(c1O)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000217619049	568899097	/nfs/dbraw/zinc/89/90/97/568899097.db2.gz	OIKFUBTYHUTFGM-CYBMUJFWSA-N	-1	0	407.378	2.649	50	70	biogenic	HFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCc3ccccc3C2)cn1	ZINC000217973672	568921848	/nfs/dbraw/zinc/92/18/48/568921848.db2.gz	SHLSXUNLVPWTEQ-UHFFFAOYSA-N	-1	0	420.498	2.727	50	70		HFIARM
Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000218437218	568480305	/nfs/dbraw/zinc/48/03/05/568480305.db2.gz	XGXZXHAKKZRWAA-CQSZACIVSA-N	-1	0	409.462	2.743	50	70		HFIARM
CCOc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)cc1	ZINC000216930735	568842771	/nfs/dbraw/zinc/84/27/71/568842771.db2.gz	ZDAFTMWBZYIAAB-YVMONPNESA-N	-1	0	411.277	2.761	50	70		HFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2cccs2)cn1	ZINC000217976304	568921766	/nfs/dbraw/zinc/92/17/66/568921766.db2.gz	LWOLZXZOODNPPW-UHFFFAOYSA-N	-1	0	414.516	2.880	50	70		HFIARM
CC(=O)c1ccc2c(c1O)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000217618974	568899060	/nfs/dbraw/zinc/89/90/60/568899060.db2.gz	OIKFUBTYHUTFGM-ZDUSSCGKSA-N	-1	0	407.378	2.649	50	70	biogenic	HFIARM