smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2nc3nc(=O)[nH]c(=O)c3nc2c(N)[nH]1	ZINC000001628370	342706340	/nfs/dbraw/zinc/70/63/40/342706340.db2.gz	OSMDMYJRPDXLDJ-UHFFFAOYSA-N	0	2	246.190	-1.474	40	5		BABBLN
CC(=O)O[C@@H]1CS(=O)(=O)CC1[N+](=O)[O-]	ZINC000005378767	385053779	/nfs/dbraw/zinc/05/37/79/385053779.db2.gz	WMGJCCGXTDFFKU-NTSWFWBYSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	ZINC000005378767	385053768	/nfs/dbraw/zinc/05/37/68/385053768.db2.gz	WMGJCCGXTDFFKU-NTSWFWBYSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@@H]1CS(=O)(=O)CC1[N+](=O)[O-]	ZINC000005378768	187248206	/nfs/dbraw/zinc/24/82/06/187248206.db2.gz	WMGJCCGXTDFFKU-PHDIDXHHSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000005378768	187248204	/nfs/dbraw/zinc/24/82/04/187248204.db2.gz	WMGJCCGXTDFFKU-PHDIDXHHSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@H]1CS(=O)(=O)CC1[N+](=O)[O-]	ZINC000005378785	385055340	/nfs/dbraw/zinc/05/53/40/385055340.db2.gz	WMGJCCGXTDFFKU-WDSKDSINSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	ZINC000005378785	385055330	/nfs/dbraw/zinc/05/53/30/385055330.db2.gz	WMGJCCGXTDFFKU-WDSKDSINSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@H]1CS(=O)(=O)CC1[N+](=O)[O-]	ZINC000005378788	385054600	/nfs/dbraw/zinc/05/46/00/385054600.db2.gz	WMGJCCGXTDFFKU-RITPCOANSA-N	0	2	223.206	-1.008	40	5		BABBLN
CC(=O)O[C@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000005378788	385054590	/nfs/dbraw/zinc/05/45/90/385054590.db2.gz	WMGJCCGXTDFFKU-RITPCOANSA-N	0	2	223.206	-1.008	40	5		BABBLN
O=[N+]([O-])CS(=O)(=O)N1CCOCC1	ZINC000104130324	384802293	/nfs/dbraw/zinc/80/22/93/384802293.db2.gz	BONYJLSUCJTVGL-UHFFFAOYSA-N	0	2	210.211	-1.117	40	5		BABBLN