smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccc(O)cc2C(=O)c2c(O)cc(CO)cc21	ZINC000013327822	560214415	/nfs/dbraw/zinc/21/44/15/560214415.db2.gz	NWPULPMOTUPXPI-UHFFFAOYSA-N	0	1	270.240	1.366	1	10	biogenic,in-vitro	CDCFMN
CCOC(=O)c1c[n-]nc1N[N+](=O)c1c[nH]ccc1=O	ZINC000040379023	174249644	/nfs/dbraw/zinc/24/96/44/174249644.db2.gz	FYTQQLJLTWAOOS-FOCLMDBBSA-N	0	1	277.240	1.200	1	10		CDCFMN
CC(=O)C(Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O	ZINC000040496514	174294994	/nfs/dbraw/zinc/29/49/94/174294994.db2.gz	PNLAJNRGHNFIDP-UHFFFAOYSA-N	0	1	267.237	1.343	1	10		CDCFMN
Cc1cc(CNCC(N)=O)c(C)n1-c1ccc(F)cc1	ZINC000095615557	185016062	/nfs/dbraw/zinc/01/60/62/185016062.db2.gz	WMIDAZMYWJQDQN-UHFFFAOYSA-N	0	1	275.327	1.808	1	10		CDCFMN
CC1(C)OC(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)O1	ZINC000102039183	185769157	/nfs/dbraw/zinc/76/91/57/185769157.db2.gz	VYLBWHXCOHFTRN-UHFFFAOYSA-N	0	1	287.275	1.695	1	10		CDCFMN
O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1cc[nH]n1	ZINC000072176501	176334326	/nfs/dbraw/zinc/33/43/26/176334326.db2.gz	OJQQQFXFPYDEPM-NTMALXAHSA-N	0	1	253.265	1.240	1	10		CDCFMN
CN(C)CCc1c[nH]c2c1C(=O)c1ccncc1C2=O	ZINC000071341288	176130183	/nfs/dbraw/zinc/13/01/83/176130183.db2.gz	UJXGEAZSCCHOID-UHFFFAOYSA-N	0	1	269.304	1.289	1	10		CDCFMN
CC1(C)C[C@H](O)[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2O1	ZINC000069482080	560078435	/nfs/dbraw/zinc/07/84/35/560078435.db2.gz	DUTLQMKQGQDTDO-COPLHBTASA-N	0	1	260.289	1.610	1	10	biogenic,in-vitro	CDCFMN
Cc1ccc2c(c1O)C(=O)c1c(O)c(O)c(O)cc1C2=O	ZINC000014760787	560225656	/nfs/dbraw/zinc/22/56/56/560225656.db2.gz	AQEJBANJFDNKHW-UHFFFAOYSA-N	0	1	286.239	1.593	1	10	in-vitro	CDCFMN
Cc1cc(N=Cc2c(=O)[nH][nH]c2-c2ccccc2)n[nH]1	ZINC000072179490	176334721	/nfs/dbraw/zinc/33/47/21/176334721.db2.gz	VNXVQWSQDNHRJC-FLIBITNWSA-N	0	1	267.292	1.548	1	10		CDCFMN
O=C1c2cc(-c3nn[nH]n3)oc2C(=O)c2ccccc21	ZINC000095556619	185009758	/nfs/dbraw/zinc/00/97/58/185009758.db2.gz	MYSMTTQIJOHKOE-UHFFFAOYSA-N	0	1	266.216	1.235	1	10		CDCFMN
COCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000045286791	175354066	/nfs/dbraw/zinc/35/40/66/175354066.db2.gz	FHBLGSDSYQCHSQ-UHFFFAOYSA-N	0	1	290.275	1.302	1	10		CDCFMN
NCC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	ZINC000072106097	176316406	/nfs/dbraw/zinc/31/64/06/176316406.db2.gz	PNVPVKLRSIIWAI-UHFFFAOYSA-N	0	1	286.312	1.421	1	10		CDCFMN
O=C1c2ccc(O)cc2C(=O)c2cc(O)c(CO)cc21	ZINC000013327868	290834428	/nfs/dbraw/zinc/83/44/28/290834428.db2.gz	VFILSEYHXFPERI-UHFFFAOYSA-N	0	1	270.240	1.366	1	10	biogenic,in-vitro	CDCFMN
Cc1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1	ZINC000014650565	560223895	/nfs/dbraw/zinc/22/38/95/560223895.db2.gz	AQXTXYPAJZSNIZ-UHFFFAOYSA-N	0	1	260.201	1.619	1	10	biogenic,in-vitro	CDCFMN