smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(NC=CC(=O)c2ccccc2[O-])cc1	ZINC000071772505	539462483	/nfs/dbraw/zinc/46/24/83/539462483.db2.gz	CVCXVILFTAMXBE-MDZDMXLPSA-N	-2	0	283.283	2.899	50	30		CFEARL
O=C([O-])c1ccc(N=Cc2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000254395409	383467091	/nfs/dbraw/zinc/46/70/91/383467091.db2.gz	KLQIXNPZJXDJSQ-UHFFFAOYSA-N	-2	0	286.243	2.749	50	30		CFEARL
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012249735	371949730	/nfs/dbraw/zinc/94/97/30/371949730.db2.gz	MYDOGEFRHSZULB-JXMROGBWSA-N	-2	0	296.278	2.979	50	30		CFEARL
C/C(C#CC#C/C(C)=C(C)/C=C/C(=O)[O-])=C(C)\C=C\C(=O)[O-]	ZINC000022340817	171385680	/nfs/dbraw/zinc/38/56/80/171385680.db2.gz	WSIKQAKHFBXWID-UYFZKRQQSA-N	-2	0	298.338	2.948	50	30		CFEARL
O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1O	ZINC000002143663	371717161	/nfs/dbraw/zinc/71/71/61/371717161.db2.gz	WJMGDWNRDNTWPN-OVCLIPMQSA-N	-2	0	257.245	2.547	50	30		CFEARL
O=C([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000022205038	304232617	/nfs/dbraw/zinc/23/26/17/304232617.db2.gz	PCLXYUVGDHCRSF-OVCLIPMQSA-N	-2	0	286.243	2.749	50	30		CFEARL
Cc1ccc([O-])cc1/N=N/c1nc(C#N)c(C#N)[n-]1	ZINC000004817945	301654889	/nfs/dbraw/zinc/65/48/89/301654889.db2.gz	UWZIOWFLJWCGGE-ISLYRVAYSA-N	-2	0	252.237	2.582	50	30		CFEARL
O=C([O-])c1ccccc1SC1=C([O-])CCCC1=O	ZINC000000344134	304271516	/nfs/dbraw/zinc/27/15/16/304271516.db2.gz	HZZJQUMHRAFLPW-UHFFFAOYSA-N	-2	0	264.302	3.000	50	30		CFEARL
O=C([O-])c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000027467135	372340917	/nfs/dbraw/zinc/34/09/17/372340917.db2.gz	KLQIXNPZJXDJSQ-OVCLIPMQSA-N	-2	0	286.243	2.749	50	30		CFEARL
O=C([O-])c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004996201	304232599	/nfs/dbraw/zinc/23/25/99/304232599.db2.gz	ZEZSPQJBMSFQLH-CXUHLZMHSA-N	-2	0	269.256	2.834	50	30		CFEARL
O=C([O-])c1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000005125479	304255426	/nfs/dbraw/zinc/25/54/26/304255426.db2.gz	BRRJAUXHRZKSMY-OVCLIPMQSA-N	-2	0	286.243	2.749	50	30		CFEARL
O=C([O-])c1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000072370089	176384420	/nfs/dbraw/zinc/38/44/20/176384420.db2.gz	DBFOMZUFUIXAHK-CXUHLZMHSA-N	-2	0	281.271	2.972	50	30		CFEARL
O=C([O-])c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000954190430	623783306	/nfs/dbraw/zinc/78/33/06/623783306.db2.gz	PCLXYUVGDHCRSF-UHFFFAOYSA-N	-2	0	286.243	2.749	50	30		CFEARL
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c([O-])c1	ZINC000096341526	256792265	/nfs/dbraw/zinc/79/22/65/256792265.db2.gz	XDMXZBNIOIWILE-RUDMXATFSA-N	-2	0	298.294	2.995	50	30		CFEARL
O=C([O-])c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000012375393	371955045	/nfs/dbraw/zinc/95/50/45/371955045.db2.gz	VWCWFOWOKCGIHW-OVCLIPMQSA-N	-2	0	286.243	2.749	50	30		CFEARL
CCCCC1=C([O-])c2c([O-])n(C)c(=O)c3cccc(c32)C1=O	ZINC000252495673	393936123	/nfs/dbraw/zinc/93/61/23/393936123.db2.gz	OVKUSSBZSKDSQB-UHFFFAOYSA-N	-2	0	299.326	2.900	50	30		CFEARL