smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-]C(N)=O	26481651	168291234	/nfs/dbraw/zinc/29/12/34/168291234.db2.gz	BLPITTLHXKDNPJ-UHFFFAOYSA-N	-1	1	138.148	-1.181	50	30		AAEAMM
CS(=O)(=O)N=C(N)[O-]	26481651	168291237	/nfs/dbraw/zinc/29/12/37/168291237.db2.gz	BLPITTLHXKDNPJ-UHFFFAOYSA-N	-1	1	138.148	-1.181	50	30		AAEAMM
N/C(=N\[O-])c1nc[nH]n1	22146424	169132846	/nfs/dbraw/zinc/13/28/46/169132846.db2.gz	ALFFOBPDOUXMBA-UHFFFAOYSA-N	-1	1	127.107	-1.101	50	30		AAEAMM
O=C(C[P@](=O)([O-])O)NO	5828202	169321905	/nfs/dbraw/zinc/32/19/05/169321905.db2.gz	LDKRAXXVBWHMRH-UHFFFAOYSA-N	-1	1	155.046	-1.331	50	30	in-vivo	AAEAMM
O=C1C[C@@H](S(=O)(=O)[O-])C(=O)N1O	4521594	169380855	/nfs/dbraw/zinc/38/08/55/169380855.db2.gz	GVJXGCIPWAVXJP-UWTATZPHSA-N	-1	1	195.152	-1.609	50	30	in-vitro	AAEAMM
O=C1C[C@H](S(=O)(=O)[O-])C(=O)N1O	19850151	169382150	/nfs/dbraw/zinc/38/21/50/169382150.db2.gz	GVJXGCIPWAVXJP-REOHCLBHSA-N	-1	1	195.152	-1.609	50	30	in-vitro	AAEAMM
O=C1NC(=S)NC(=O)C1=N[O-]	100163930	169385009	/nfs/dbraw/zinc/38/50/09/169385009.db2.gz	HFRSQLJTGMVFDH-UHFFFAOYSA-N	-1	1	173.153	-1.653	50	30		AAEAMM
N/N=C(\N)c1nonc1-c1nnn[n-]1	4344225	1423366959	/nfs/dbraw/zinc/36/69/59/1423366959.db2.gz	XXAHCAHWKKDUOL-UHFFFAOYSA-N	-1	1	195.146	-2.171	50	30		AAEAMM