smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(CNc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000002575017	484288909	/nfs/dbraw/zinc/28/89/09/484288909.db2.gz	PMUVNAUPWLXPSA-MJFSBKNWSA-N	0	0	372.385	-0.368	10	10		FBCERN
Nc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000005161863	484312005	/nfs/dbraw/zinc/31/20/05/484312005.db2.gz	PMUVNAUPWLXPSA-LSCFUAHRSA-N	0	0	372.385	-0.368	10	10		FBCERN
CN1C(=O)C(=C/C=C/CC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O	ZINC000005965944	206800552	/nfs/dbraw/zinc/80/05/52/206800552.db2.gz	VUKLGXZGBALJRY-AATRIKPKSA-N	0	0	374.353	-0.114	10	10		FBCERN
CCCOC(=O)C[C@@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O	ZINC000010213433	219894818	/nfs/dbraw/zinc/89/48/18/219894818.db2.gz	ZTPLTNDPEWJEEG-LLVKDONJSA-N	0	0	354.359	-0.150	10	10		FBCERN
COCCOC(=O)C[C@@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O	ZINC000010213628	204392328	/nfs/dbraw/zinc/39/23/28/204392328.db2.gz	DKUNDMKECDHYGS-LLVKDONJSA-N	0	0	370.358	-0.914	10	10		FBCERN
NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccc(S(N)(=O)=O)cc1C2=O	ZINC000034104086	484065885	/nfs/dbraw/zinc/06/58/85/484065885.db2.gz	KMUCUPHKWSBGKA-UHFFFAOYSA-N	0	0	366.376	-0.243	10	10		FBCERN
CC(=O)OC[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=S)OC(C)=O	ZINC000038611771	205041463	/nfs/dbraw/zinc/04/14/63/205041463.db2.gz	BMNAUAADIGESPF-XJFOESAGSA-N	0	0	364.372	-0.295	10	10		FBCERN
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1	ZINC000103127474	206233322	/nfs/dbraw/zinc/23/33/22/206233322.db2.gz	SMFKCIHIAHWGGL-AWOKGZDASA-N	0	0	368.338	-0.558	10	10		FBCERN