smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([O-])c(C=O)c2oc(-c3ccccc3)cc(=O)c2c1[O-]	ZINC000095610002	185016238	/nfs/dbraw/zinc/01/62/38/185016238.db2.gz	TXZFBUWNWNHMCS-UHFFFAOYSA-N	-2	1	296.278	2.992	40	0	biogenic,in-vitro	CFABML
O=C(C=C([O-])c1cccnc1)c1cc(Cl)ccc1[O-]	ZINC000100353076	185713434	/nfs/dbraw/zinc/71/34/34/185713434.db2.gz	BDLFYKPFMZISJW-UHFFFAOYSA-N	-2	1	275.691	2.896	40	0		CFABML
O=C([O-])/C=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000002524638	371731999	/nfs/dbraw/zinc/73/19/99/371731999.db2.gz	SIPWAJWDTLCJRL-OWOJBTEDSA-N	-2	1	277.501	2.906	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2cc(Cl)ccc2Cl)[n-]1	ZINC000076416266	177022075	/nfs/dbraw/zinc/02/20/75/177022075.db2.gz	SFRNRYJYBDRZPB-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2cc(Cl)cc(Cl)c2)[n-]1	ZINC000049470289	304226363	/nfs/dbraw/zinc/22/63/63/304226363.db2.gz	RZKDZTYMTSIFRD-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
O=C([O-])c1cc([O-])c(Br)cc1Br	ZINC000077028301	374559466	/nfs/dbraw/zinc/55/94/66/374559466.db2.gz	ZWIBWIKYYVVCLB-UHFFFAOYSA-N	-2	1	295.914	2.615	40	0		CFABML
Cc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000015424139	372083083	/nfs/dbraw/zinc/08/30/83/372083083.db2.gz	VTDDNXWSULKKPK-UHFFFAOYSA-N	-2	1	297.357	2.556	40	0		CFABML
Cc1cc(=O)[n-]c(SC(=S)[N-]c2ccccc2)n1	ZINC000018036316	372138849	/nfs/dbraw/zinc/13/88/49/372138849.db2.gz	NILZDAFQVBRPQC-UHFFFAOYSA-N	-2	1	277.374	2.980	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[n-]1	ZINC000042411233	304226532	/nfs/dbraw/zinc/22/65/32/304226532.db2.gz	SGBKDYBXRSUTIU-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2cccc(Cl)c2Cl)[n-]1	ZINC000076416269	177021790	/nfs/dbraw/zinc/02/17/90/177021790.db2.gz	DWBNRYIYPDENCV-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2ccc(Cl)cc2Cl)[n-]1	ZINC000042411236	372920041	/nfs/dbraw/zinc/92/00/41/372920041.db2.gz	FBCIXIGHKPLUOW-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
Cc1nc(-c2cccc3ccccc32)[n-]c(=O)c1CC(=O)[O-]	ZINC000217394126	382786414	/nfs/dbraw/zinc/78/64/14/382786414.db2.gz	LKXUYGUIJWVNHV-UHFFFAOYSA-N	-2	1	294.310	2.526	40	0		CFABML
Cc1c([O-])c(C=O)c2c(c1O)C(=O)C[C@H](c1ccccc1)O2	ZINC000003581770	393455461	/nfs/dbraw/zinc/45/54/61/393455461.db2.gz	ONESXBRHUWVWFD-CYBMUJFWSA-N	-2	1	298.294	2.925	40	0	biogenic,in-vitro	CFABML
Cc1c2ccccc2c2n[n-]c(=S)n2c1C(=O)[O-]	ZINC000003588683	301018287	/nfs/dbraw/zinc/01/82/87/301018287.db2.gz	JWKOZFYVXQWTDS-UHFFFAOYSA-N	-2	1	259.290	2.552	40	0		CFABML
O=C([O-])CCSc1[n-]c(=O)c(Cl)cc1Cl	ZINC000215849122	382780945	/nfs/dbraw/zinc/78/09/45/382780945.db2.gz	OPCIXVNBLBTILX-UHFFFAOYSA-N	-2	1	268.121	2.661	40	0		CFABML
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1C(=O)[O-]	ZINC000033460114	346311532	/nfs/dbraw/zinc/31/15/32/346311532.db2.gz	RNGYHGOXTCVATD-UITAMQMPSA-N	-2	1	295.341	2.723	40	0		CFABML
O=C([O-])c1cc(=O)n(-c2c(Cl)cccc2Cl)[n-]1	ZINC000217701905	304226318	/nfs/dbraw/zinc/22/63/18/304226318.db2.gz	OZTSDGDJAQAUCF-UHFFFAOYSA-N	-2	1	273.075	2.583	40	0		CFABML
O=C([O-])c1cc(Br)c([O-])cc1Br	ZINC000014982587	304220768	/nfs/dbraw/zinc/22/07/68/304220768.db2.gz	NDEWEMOLYCSDSE-UHFFFAOYSA-N	-2	1	295.914	2.615	40	0		CFABML
O=C([O-])c1ccc(NC=C2SC(=S)[N-]C2=O)cc1	ZINC000016401103	304245639	/nfs/dbraw/zinc/24/56/39/304245639.db2.gz	CFRUAGZNVVRLCS-YVMONPNESA-N	-2	1	280.330	2.626	40	0		CFABML