smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[N-]=[N+]=N[C@H]1[C@@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@H]1CO	ZINC000004159250	373490305	/nfs/dbraw/zinc/49/03/05/373490305.db2.gz	AWEWMNDSGXRWGS-FJDLHZNMSA-N	-1	3	287.207	-1.395	50	10		CACAHM
O=C([C@H](O)C1NNC([S-])NN1)[C@@H](O)[C@@H](O)CO	ZINC000239173748	373671225	/nfs/dbraw/zinc/67/12/25/373671225.db2.gz	OOOJWEASRKBWBV-KLVWXMOXSA-N	-1	3	268.295	-4.765	50	10		CACAHM
[N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@H]1O	ZINC000004159252	374144769	/nfs/dbraw/zinc/14/47/69/374144769.db2.gz	AWEWMNDSGXRWGS-GCJQMDKQSA-N	-1	3	287.207	-1.395	50	10		CACAHM
O=C([C@@H](O)[C@@H](O)CO)[C@@H](O)C1NNC([S-])NN1	ZINC000016102385	372793133	/nfs/dbraw/zinc/79/31/33/372793133.db2.gz	OOOJWEASRKBWBV-QMKXCQHVSA-N	-1	3	268.295	-4.765	50	10		CACAHM
O=C1[N-]C(=O)C(=CNCCCN2CCOCC2)C(=O)N1	ZINC000019867670	372798420	/nfs/dbraw/zinc/79/84/20/372798420.db2.gz	VVLBNJWYWBDWTB-UHFFFAOYSA-N	-1	3	282.300	-1.452	50	10		CACAHM
O=C1[N-]C(=S)NC(=O)C1=CNCCCN1CCOCC1	ZINC000020438545	171203304	/nfs/dbraw/zinc/20/33/04/171203304.db2.gz	XFKFUFUNPRBTSZ-UHFFFAOYSA-N	-1	3	298.368	-1.287	50	10		CACAHM
O=C1[N-]C(=S)NC(=O)C1=CNCCc1c[nH]cn1	ZINC000019899370	372798302	/nfs/dbraw/zinc/79/83/02/372798302.db2.gz	OZWPBKWKXUCIEH-UHFFFAOYSA-N	-1	3	265.298	-1.043	50	10		CACAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000019994883	372800493	/nfs/dbraw/zinc/80/04/93/372800493.db2.gz	LYVYQYUAYHGLNA-VOTSOKGWSA-N	-1	3	256.331	-1.105	50	10		CACAHM
CC(C)(CNC=C1C(=O)[N-]C(=O)NC1=O)N1CCOCC1	ZINC000025436554	372803283	/nfs/dbraw/zinc/80/32/83/372803283.db2.gz	KIOGWDWQDUJEET-UHFFFAOYSA-N	-1	3	296.327	-1.063	50	10		CACAHM
O=C1[N-]C(=S)NC(=O)C1=CNCCN1CCOCC1	ZINC000100796511	372814492	/nfs/dbraw/zinc/81/44/92/372814492.db2.gz	FXXQKUPITHSJQU-UHFFFAOYSA-N	-1	3	284.341	-1.677	50	10		CACAHM
O=C([C@@H](O)[C@@H](O)CO)[C@@H](O)C1NNC([S-])NN1	ZINC000239173749	373671663	/nfs/dbraw/zinc/67/16/63/373671663.db2.gz	OOOJWEASRKBWBV-NEEWWZBLSA-N	-1	3	268.295	-4.765	50	10		CACAHM
O=C([C@H](O)C1NNC([S-])NN1)[C@@H](O)[C@@H](O)CO	ZINC000004018032	374144503	/nfs/dbraw/zinc/14/45/03/374144503.db2.gz	OOOJWEASRKBWBV-FCAWWPLPSA-N	-1	3	268.295	-4.765	50	10		CACAHM
[N-]=[N+]=N[C@H]1[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000004023374	374145160	/nfs/dbraw/zinc/14/51/60/374145160.db2.gz	AWEWMNDSGXRWGS-UAKXSSHOSA-N	-1	3	287.207	-1.395	50	10	biogenic	CACAHM
[N-]=[N+]=N[C@H]1[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@H]1CO	ZINC000004159251	374145170	/nfs/dbraw/zinc/14/51/70/374145170.db2.gz	AWEWMNDSGXRWGS-LENIQADQSA-N	-1	3	287.207	-1.395	50	10		CACAHM
[N-]=[N+]=N[C@@H]1[C@H](CO)O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@H]1O	ZINC000004159253	374145200	/nfs/dbraw/zinc/14/52/00/374145200.db2.gz	AWEWMNDSGXRWGS-SKHQTKALSA-N	-1	3	287.207	-1.395	50	10		CACAHM