smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1	ZINC001234751243	1037166455	/nfs/dbraw/zinc/16/64/55/1037166455.db2.gz	VNNRHUQQKVZLLS-NSHDSACASA-N	-2	2	357.362	2.536	20	5		FFBDLL
O=[N+]([O-])c1ccccc1N1CCC(Oc2nc3nc[nH]c3c(=S)[nH]2)CC1	ZINC001226786872	1034840878	/nfs/dbraw/zinc/84/08/78/1034840878.db2.gz	SXAUOFUSAABRRA-UHFFFAOYSA-N	-2	2	372.410	2.598	20	5		FFBDLL
CCN1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1	ZINC001234750725	1037166124	/nfs/dbraw/zinc/16/61/24/1037166124.db2.gz	NNLIUDYLLYSBBN-GFCCVEGCSA-N	-2	2	371.389	2.926	20	5		FFBDLL
CN1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1	ZINC001234749893	1037167294	/nfs/dbraw/zinc/16/72/94/1037167294.db2.gz	GFHCPRLHFCDMFZ-NSHDSACASA-N	-2	2	357.362	2.536	20	5		FFBDLL
COc1cc2c(O)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc2cc1F	ZINC000537287668	517127301	/nfs/dbraw/zinc/12/73/01/517127301.db2.gz	HTVPUQYLWMVUFE-UHFFFAOYSA-N	-2	2	373.296	2.542	20	5		FFBDLL
O=c1c2ccc(O)c(O[C@H]3CN4CCC3CC4)c2oc2cc(O)cc(O)c21	ZINC001234750471	1037167574	/nfs/dbraw/zinc/16/75/74/1037167574.db2.gz	JZNKSZVTYFQPLL-INIZCTEOSA-N	-2	2	369.373	2.536	20	5		FFBDLL
O=c1c2ccc(O)c(O[C@@H]3CN4CCC3CC4)c2oc2cc(O)cc(O)c21	ZINC001234750472	1037165850	/nfs/dbraw/zinc/16/58/50/1037165850.db2.gz	JZNKSZVTYFQPLL-MRXNPFEDSA-N	-2	2	369.373	2.536	20	5		FFBDLL
CC[N@@H+]1CC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1	ZINC001234751242	1037167182	/nfs/dbraw/zinc/16/71/82/1037167182.db2.gz	VNNRHUQQKVZLLS-LLVKDONJSA-N	-2	2	357.362	2.536	20	5		FFBDLL
CCN1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1	ZINC001234750727	1037167138	/nfs/dbraw/zinc/16/71/38/1037167138.db2.gz	NNLIUDYLLYSBBN-LBPRGKRZSA-N	-2	2	371.389	2.926	20	5		FFBDLL