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	ZINC000011582470	373020352	/nfs/dbraw/zinc/02/03/52/373020352.db2.gz	AWEWMNDSGXRWGS-NRFSWKIWSA-N	-1	3	287.207	-1.395	40	10		CACBHM
C[C@H](O)[C@H](O)C(=O)[C@H](O)C1NNC([S-])NN1	ZINC000248240063	334297411	/nfs/dbraw/zinc/29/74/11/334297411.db2.gz	AWXNSOFCXAIZMQ-KLVWXMOXSA-N	-1	3	252.296	-3.737	40	10		CACBHM
C[C@@H](O)[C@@H](O)C(=O)[C@H](O)C1NNC([S-])NN1	ZINC000005357734	533793487	/nfs/dbraw/zinc/79/34/87/533793487.db2.gz	AWXNSOFCXAIZMQ-MBMOQRBOSA-N	-1	3	252.296	-3.737	40	10		CACBHM
C[C@@H](O)[C@H](O)C(=O)[C@H](O)C1NNC([S-])NN1	ZINC000005357624	533830987	/nfs/dbraw/zinc/83/09/87/533830987.db2.gz	AWXNSOFCXAIZMQ-STGXQOJASA-N	-1	3	252.296	-3.737	40	10		CACBHM
[N-]=[N+]=N[C@H]1[C@@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000170591406	570281709	/nfs/dbraw/zinc/28/17/09/570281709.db2.gz	AWEWMNDSGXRWGS-UNGCPHIMSA-N	-1	3	287.207	-1.395	40	10		CACBHM
C[C@H](O)[C@H](O)C(=O)[C@@H](O)C1NNC([S-])NN1	ZINC000016322555	373028487	/nfs/dbraw/zinc/02/84/87/373028487.db2.gz	AWXNSOFCXAIZMQ-QMKXCQHVSA-N	-1	3	252.296	-3.737	40	10		CACBHM
O=C([C@H](O)[C@@H](O)CO)[C@H](O)C1NNC([S-])NN1	ZINC000004018034	373053928	/nfs/dbraw/zinc/05/39/28/373053928.db2.gz	OOOJWEASRKBWBV-QTBDOELSSA-N	-1	3	268.295	-4.765	40	10		CACBHM
C[C@H](O)[C@H](O)C(=O)[C@H](O)C1NNC([S-])NN1	ZINC000005354706	230369428	/nfs/dbraw/zinc/36/94/28/230369428.db2.gz	AWXNSOFCXAIZMQ-FCAWWPLPSA-N	-1	3	252.296	-3.737	40	10		CACBHM
O=C([C@H](O)[C@H](O)CO)[C@H](O)C1NNC([S-])NN1	ZINC000004018035	373053881	/nfs/dbraw/zinc/05/38/81/373053881.db2.gz	OOOJWEASRKBWBV-MBMOQRBOSA-N	-1	3	268.295	-4.765	40	10		CACBHM
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000170591408	545513911	/nfs/dbraw/zinc/51/39/11/545513911.db2.gz	AWEWMNDSGXRWGS-LKXGYXEUSA-N	-1	3	287.207	-1.395	40	10		CACBHM
C[C@H](O)[C@@H](O)C(=O)[C@H](O)C1NNC([S-])NN1	ZINC000005354844	230369477	/nfs/dbraw/zinc/36/94/77/230369477.db2.gz	AWXNSOFCXAIZMQ-QTBDOELSSA-N	-1	3	252.296	-3.737	40	10		CACBHM
O=C([C@H](O)C1NNC([S-])NN1)[C@@H](O)[C@H](O)CO	ZINC000004018033	373055651	/nfs/dbraw/zinc/05/56/51/373055651.db2.gz	OOOJWEASRKBWBV-STGXQOJASA-N	-1	3	268.295	-4.765	40	10		CACBHM
C[C@H](O)[C@H](O)C(=O)[C@@H](O)C1NNC([S-])NN1	ZINC000248240066	334297348	/nfs/dbraw/zinc/29/73/48/334297348.db2.gz	AWXNSOFCXAIZMQ-NEEWWZBLSA-N	-1	3	252.296	-3.737	40	10		CACBHM
[N-]=[N+]=N[C@@H]1[C@@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000170591404	570281634	/nfs/dbraw/zinc/28/16/34/570281634.db2.gz	AWEWMNDSGXRWGS-FUYZFFOTSA-N	-1	3	287.207	-1.395	40	10		CACBHM