smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccc([O-])cc2)oc2ccc3ccccc3c12	ZINC000000039305	567901646	/nfs/dbraw/zinc/90/16/46/567901646.db2.gz	AUDZFDILQOXUBT-UHFFFAOYSA-N	-1	3	288.302	4.319	50	5		CIBAHM
O=c1cc(-c2ccc([O-])cc2)oc2c1ccc1ccccc12	ZINC000000039304	567901745	/nfs/dbraw/zinc/90/17/45/567901745.db2.gz	LLWMARJKCJATFA-UHFFFAOYSA-N	-1	3	288.302	4.319	50	5		CIBAHM
O=[N+]([O-])c1cccc2nc(/C=C/c3ccc([O-])cc3)ccc21	ZINC000005156047	170071933	/nfs/dbraw/zinc/07/19/33/170071933.db2.gz	YKESGQGETLDVDQ-QPJJXVBHSA-N	-1	3	292.294	4.019	50	5		CIBAHM
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3[O-])cs2)c1	ZINC000219039682	566884832	/nfs/dbraw/zinc/88/48/32/566884832.db2.gz	DJOOMBSKMAMCNH-UHFFFAOYSA-N	-1	3	298.323	4.091	50	5		CIBAHM
O=[N+]([O-])c1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1	ZINC000004009096	567182333	/nfs/dbraw/zinc/18/23/33/567182333.db2.gz	SNDKJCNAMXPNBX-VQHVLOKHSA-N	-1	3	292.294	4.019	50	5		CIBAHM
O=[N+]([O-])c1cccc2nc(/C=C/c3cccc([O-])c3)ccc21	ZINC000006598522	170217772	/nfs/dbraw/zinc/21/77/72/170217772.db2.gz	RHESWBIAJJQSAU-BQYQJAHWSA-N	-1	3	292.294	4.019	50	5		CIBAHM
O=[N+]([O-])c1ccc2sc(/C=C/c3cccc([O-])c3)nc2c1	ZINC000006647668	170221977	/nfs/dbraw/zinc/22/19/77/170221977.db2.gz	PKQLNCAHTJPMTK-QPJJXVBHSA-N	-1	3	298.323	4.081	50	5		CIBAHM
O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1	ZINC000004162451	567189590	/nfs/dbraw/zinc/18/95/90/567189590.db2.gz	IYNSTUJMKUTNSD-XBXARRHUSA-N	-1	3	292.294	4.019	50	5		CIBAHM
O=c1cc(-c2ccccc2[O-])oc2ccc3ccccc3c12	ZINC000000039309	567817015	/nfs/dbraw/zinc/81/70/15/567817015.db2.gz	QEXQTLSRHJGDRC-UHFFFAOYSA-N	-1	3	288.302	4.319	50	5	aggregator	CIBAHM
O=c1cc(-c2ccccc2[O-])oc2c1ccc1ccccc12	ZINC000000039307	567816853	/nfs/dbraw/zinc/81/68/53/567816853.db2.gz	ZKMLQDNHMSFULN-UHFFFAOYSA-N	-1	3	288.302	4.319	50	5		CIBAHM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc([O-])c1	ZINC000001695345	566945811	/nfs/dbraw/zinc/94/58/11/566945811.db2.gz	GRQREMUJQBFPQY-UHFFFAOYSA-N	-1	3	299.204	4.112	50	5		CIBAHM
CC(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(Cl)cc2)s1	ZINC000004363230	567863880	/nfs/dbraw/zinc/86/38/80/567863880.db2.gz	FNSOPJVKDHURKK-UHFFFAOYSA-N	-1	3	296.735	4.256	50	5		CIBAHM
O=[N+]([O-])c1ccccc1/C=C/c1ccc2cccc([O-])c2n1	ZINC000004754638	170012076	/nfs/dbraw/zinc/01/20/76/170012076.db2.gz	WNBSMQUQEBQBSR-CSKARUKUSA-N	-1	3	292.294	4.019	50	5		CIBAHM
O=[N+]([O-])c1ccc2nc(/C=C/c3cccc([O-])c3)sc2c1	ZINC000007784904	170302605	/nfs/dbraw/zinc/30/26/05/170302605.db2.gz	NWOALUGVNPYEAS-QPJJXVBHSA-N	-1	3	298.323	4.081	50	5		CIBAHM
O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc([O-])c3)nc21	ZINC000007007338	170261710	/nfs/dbraw/zinc/26/17/10/170261710.db2.gz	PHYVMZBVVWBIPN-VQHVLOKHSA-N	-1	3	292.294	4.019	50	5		CIBAHM
[O-]N=c1c2ccccc2c2ccccc2c2ccccc21	ZINC000001711540	566911726	/nfs/dbraw/zinc/91/17/26/566911726.db2.gz	LKPMWJNBOOMEDZ-UHFFFAOYSA-N	-1	3	271.319	4.436	50	5		CIBAHM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1[O-]	ZINC000000152800	567923863	/nfs/dbraw/zinc/92/38/63/567923863.db2.gz	QSRAHHNCLOLHMK-UHFFFAOYSA-N	-1	3	299.204	4.112	50	5		CIBAHM