smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)C(=Cc2ccc(-c3nn[nH]n3)cc2)S1	ZINC000095556512	185009706	/nfs/dbraw/zinc/00/97/06/185009706.db2.gz	DAENRNPHDSQFOC-YVMONPNESA-N	-1	1	289.345	1.991	1	10		CDCFMM
COC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000040425299	174258670	/nfs/dbraw/zinc/25/86/70/174258670.db2.gz	SGDMEGYCHABPCQ-UHFFFAOYSA-N	-1	1	298.250	1.660	1	10		CDCFMM
O=C1[N-]C(=S)C(=Cc2ccccc2-c2nn[nH]n2)S1	ZINC000095557593	185009745	/nfs/dbraw/zinc/00/97/45/185009745.db2.gz	YQOWFIMMAPHWBS-YVMONPNESA-N	-1	1	289.345	1.991	1	10		CDCFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1CCc1ccccc1	ZINC000045252913	175336682	/nfs/dbraw/zinc/33/66/82/175336682.db2.gz	WAKSZKRJMYPBPF-UHFFFAOYSA-N	-1	1	283.283	1.937	1	10		CDCFMM
COc1cc2c(=O)c3c(O)cc([O-])cc3oc2c(O)c1O	ZINC000014649012	560223873	/nfs/dbraw/zinc/22/38/73/560223873.db2.gz	LOJMAPGMVDHGEL-UHFFFAOYSA-N	-1	1	290.227	1.777	1	10	biogenic,in-vitro	CDCFMM
O=C1c2cc(-c3nn[n-]n3)oc2C(=O)c2ccccc21	ZINC000095556619	185009759	/nfs/dbraw/zinc/00/97/59/185009759.db2.gz	MYSMTTQIJOHKOE-UHFFFAOYSA-N	-1	1	266.216	1.235	1	10		CDCFMM
CC(C)(C)c1cc(Cl)c([O-])c(CNS(N)(=O)=O)c1	ZINC000027860060	171534175	/nfs/dbraw/zinc/53/41/75/171534175.db2.gz	IBQJYRPCYRRADH-UHFFFAOYSA-N	-1	1	292.788	1.636	1	10		CDCFMM
Cc1ccc2c(c1O)C(=O)c1cc(O)c([O-])cc1C2=O	ZINC000014814391	560226557	/nfs/dbraw/zinc/22/65/57/560226557.db2.gz	ZRTICYFZXFUPAO-UHFFFAOYSA-N	-1	1	270.240	1.887	1	10	in-vitro	CDCFMM
O=C1c2c(O)cccc2C([O-])=C2CC(CO)=CC(O)=C12	ZINC000034050903	290834791	/nfs/dbraw/zinc/83/47/91/290834791.db2.gz	WUIUMIHLPDAGQF-ZANVPECISA-N	-1	1	272.256	1.378	1	10	biogenic,in-vitro	CDCFMM
O=C([O-])CCCCc1cc(O)c(O)c([N+](=O)[O-])c1	ZINC000027897037	581096407	/nfs/dbraw/zinc/09/64/07/581096407.db2.gz	MJUWWBJMGJMFRR-UHFFFAOYSA-N	-1	1	255.226	1.803	1	10		CDCFMM
O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)NC1CCCC1	ZINC000040753334	174395788	/nfs/dbraw/zinc/39/57/88/174395788.db2.gz	OPRCQQGUKWWKJM-UHFFFAOYSA-N	-1	1	286.335	1.979	1	10		CDCFMM
CCOC(=O)c1n[n-]c2c1C(=O)c1ccccc1C2=O	ZINC000005479602	170103595	/nfs/dbraw/zinc/10/35/95/170103595.db2.gz	JHYNFTZWBJKHSN-UHFFFAOYSA-N	-1	1	270.244	1.362	1	10		CDCFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1C1Cc2ccccc2C1	ZINC000045300085	175355079	/nfs/dbraw/zinc/35/50/79/175355079.db2.gz	PHBLGVUHSYEHPB-UHFFFAOYSA-N	-1	1	295.294	1.861	1	10		CDCFMM
COC(=O)c1cc([O-])c2c(c1)C(=O)c1c(O)cccc1C2=O	ZINC000013481239	560217354	/nfs/dbraw/zinc/21/73/54/560217354.db2.gz	OIMALAMXEFMMOW-UHFFFAOYSA-N	-1	1	298.250	1.660	1	10	biogenic,in-vitro	CDCFMM
Cc1[nH]c2ccccc2c1/C=C1/NC(=S)[N-]C1=O	ZINC000014945516	170649008	/nfs/dbraw/zinc/64/90/08/170649008.db2.gz	SNLLEQAPNVMOOT-IZZDOVSWSA-N	-1	1	257.318	1.822	1	10		CDCFMM
COc1c([O-])ccc2c1C(=O)c1cccc(O)c1C2=O	ZINC000033831657	290827598	/nfs/dbraw/zinc/82/75/98/290827598.db2.gz	PIYPSEKICNYSKT-UHFFFAOYSA-N	-1	1	270.240	1.882	1	10	biogenic,in-vitro	CDCFMM
O=C(Cn1cnc(Br)c1)c1ccc([O-])c(O)c1	ZINC000045364902	175362446	/nfs/dbraw/zinc/36/24/46/175362446.db2.gz	SIKHMRZZDLWBKR-UHFFFAOYSA-N	-1	1	297.108	1.940	1	10		CDCFMM
COc1cc(C=C2SC(=S)[N-]C2=O)c(OC)cc1O	ZINC000072106032	176316385	/nfs/dbraw/zinc/31/63/85/176316385.db2.gz	UFTHKGPBVJJXLR-ONNFQVAWSA-N	-1	1	297.357	1.898	1	10		CDCFMM