smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c([O-])[n+]2c3ccc(OC)cc3sc2n(CC2CC2)c1=O	ZINC000100979449	219112727	/nfs/dbraw/zinc/11/27/27/219112727.db2.gz	PHGRQFXTRNKODV-LBPRGKRZSA-N	0	1	331.417	2.620	1	10		EFCFMN
CCC1(CC)C[C@@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O	ZINC000103202962	219269496	/nfs/dbraw/zinc/26/94/96/219269496.db2.gz	ZHZXQDPAOGEJRD-SFHVURJKSA-N	0	1	346.471	2.939	1	10		EFCFMN
COc1cccc(-c2ccc([O-])c(C[NH2+][C@H]3CN4CCC3CC4)c2)n1	ZINC000020541661	202049409	/nfs/dbraw/zinc/04/94/09/202049409.db2.gz	WPZFRLQXQORDGY-SFHVURJKSA-N	0	1	339.439	2.647	1	10		EFCFMN
CCc1c([O-])[n+]2c3ccc(OC)cc3sc2n(CC2CC2)c1=O	ZINC000100979453	204000485	/nfs/dbraw/zinc/00/04/85/204000485.db2.gz	PHGRQFXTRNKODV-GFCCVEGCSA-N	0	1	331.417	2.620	1	10		EFCFMN
COc1ccc(-c2oc3cc(OC)c(O)c([O-])c3c(=O)c2O)cc1	ZINC000006018461	560204453	/nfs/dbraw/zinc/20/44/53/560204453.db2.gz	JLFOFYBNCNKHOL-UHFFFAOYSA-N	0	1	330.292	2.594	1	10	biogenic,in-vitro	EFCFMN
COc1ccc2c(c1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4	ZINC000014612791	560223017	/nfs/dbraw/zinc/22/30/17/560223017.db2.gz	TWCBVLWZBWYIRW-KBPBESRZSA-N	0	1	325.364	2.956	1	10	biogenic,in-vitro	EFCFMN
CCC1(CC)C[C@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O	ZINC000103202960	219269407	/nfs/dbraw/zinc/26/94/07/219269407.db2.gz	ZHZXQDPAOGEJRD-GOSISDBHSA-N	0	1	346.471	2.939	1	10		EFCFMN
COc1c(O)ccc2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc21	ZINC000014644621	560223608	/nfs/dbraw/zinc/22/36/08/560223608.db2.gz	LLXQONIKJLTKCF-UHFFFAOYSA-N	0	1	330.292	2.594	1	10	in-vitro	EFCFMN
C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000028392727	202170252	/nfs/dbraw/zinc/17/02/52/202170252.db2.gz	AGDCSEZEBUOTSS-UHFFFAOYSA-N	0	1	331.328	2.883	1	10		EFCFMN
O=c1cc(N2CCN(Cc3ccccc3O)CC2)c2ccccc2o1	ZINC000103271661	204070359	/nfs/dbraw/zinc/07/03/59/204070359.db2.gz	ALSTUUYSHWUFGM-UHFFFAOYSA-N	0	1	336.391	2.821	1	10		EFCFMN
O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1cc(-c2ccccc2)[nH]n1	ZINC000072175027	216065419	/nfs/dbraw/zinc/06/54/19/216065419.db2.gz	UWQQOSNATRNJRP-QINSGFPZSA-N	0	1	329.363	2.907	1	10		EFCFMN
COc1cccc(-c2ccc([O-])c(C[NH2+][C@@H]3CN4CCC3CC4)c2)n1	ZINC000020541658	212145222	/nfs/dbraw/zinc/14/52/22/212145222.db2.gz	WPZFRLQXQORDGY-GOSISDBHSA-N	0	1	339.439	2.647	1	10		EFCFMN