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@@]1(S(=O)(=O)[O-])C=C(N=N)C=C[C@H]1N	ZINC000205449613	368404998	/nfs/dbraw/zinc/40/49/98/368404998.db2.gz	WZINZEIKRLGZDK-RNFRBKRXSA-N	-1	3	233.249	0.029	2	10		BCCFHM
CN(C)c1ccc(C=C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000073161386	188306754	/nfs/dbraw/zinc/30/67/54/188306754.db2.gz	KSEJKEPJABULPR-BWNDKRECSA-N	-1	3	245.282	0.974	1	10		BCCFHM
CO[C@@]1(S(=O)(=O)[O-])C=C(N=N)C=C[C@@H]1N	ZINC000205449636	348519542	/nfs/dbraw/zinc/51/95/42/348519542.db2.gz	WZINZEIKRLGZDK-NKWVEPMBSA-N	-1	3	233.249	0.029	2	10		BCCFHM
CO[C@]1(S(=O)(=O)[O-])C=C(N=N)C=C[C@H]1N	ZINC000205449623	368404872	/nfs/dbraw/zinc/40/48/72/368404872.db2.gz	WZINZEIKRLGZDK-RQJHMYQMSA-N	-1	3	233.249	0.029	2	10		BCCFHM
CC1(C)[NH2+][C@H](C(=O)[O-])Cc2ccc(O)c([O-])c21	ZINC000014722986	290753823	/nfs/dbraw/zinc/75/38/23/290753823.db2.gz	YSTJZXIGARTMCG-ZETCQYMHSA-N	-1	3	237.255	0.932	1	10	biogenic,in-vitro	BCCFHM
[NH3+][C@@H](Cc1cc(O)c([O-])cc1[18F])C(=O)[O-]	ZINC000100079068	181553596	/nfs/dbraw/zinc/55/35/96/181553596.db2.gz	PAXWQORCRCBOCU-RPDRGXCHSA-N	-1	3	214.183	0.191	1	10	in-man	BCCFHM
CO[C@]1(S(=O)(=O)[O-])C=C(N=N)C=C[C@@H]1N	ZINC000205449650	368405070	/nfs/dbraw/zinc/40/50/70/368405070.db2.gz	WZINZEIKRLGZDK-BQBZGAKWSA-N	-1	3	233.249	0.029	2	10		BCCFHM
O=c1oc(-c2cc(O)c([O-])c(O)c2)ns1	ZINC000169334466	183011923	/nfs/dbraw/zinc/01/19/23/183011923.db2.gz	HNZMOJFDTPPLBY-UHFFFAOYSA-N	-1	3	227.197	0.880	1	10		BCCFHM