smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc2c(cc1O)[C@@H]1Cc3cccc(O)c3C[N@@H+]1CC2	ZINC000096930031	185132521	/nfs/dbraw/zinc/13/25/21/185132521.db2.gz	SJCUJBCYBXGZOY-AWEZNQCLSA-N	1	2	283.327	2.459	1	10		CECFLO
Oc1cc2c(cc1O)[C@@H]1Cc3cccc(O)c3C[N@H+]1CC2	ZINC000096930031	185132522	/nfs/dbraw/zinc/13/25/22/185132522.db2.gz	SJCUJBCYBXGZOY-AWEZNQCLSA-N	1	2	283.327	2.459	1	10		CECFLO
O=c1cc(C[NH2+]Cc2ccccc2)oc2ccc(O)c(O)c12	ZINC000071341145	176130510	/nfs/dbraw/zinc/13/05/10/176130510.db2.gz	XPKUNHMCCOXFDZ-UHFFFAOYSA-N	1	2	297.310	2.494	1	10		CECFLO
O=c1c(O)ccc2oc(C[NH2+]Cc3ccccc3)cc(O)c1-2	ZINC000071341145	176130512	/nfs/dbraw/zinc/13/05/12/176130512.db2.gz	XPKUNHMCCOXFDZ-UHFFFAOYSA-N	1	2	297.310	2.494	1	10		CECFLO
C[NH+](C)/C=C/c1cncc2c1C(=O)c1ccccc1C2=O	ZINC000096934750	185132813	/nfs/dbraw/zinc/13/28/13/185132813.db2.gz	FZYBWFVWDLGSHI-BQYQJAHWSA-N	1	2	278.311	2.389	1	10		CECFLO
Oc1cc2c(cc1O)[C@H]1Cc3cccc(O)c3C[N@@H+]1CC2	ZINC000096930032	185132203	/nfs/dbraw/zinc/13/22/03/185132203.db2.gz	SJCUJBCYBXGZOY-CQSZACIVSA-N	1	2	283.327	2.459	1	10		CECFLO
Oc1cc2c(cc1O)[C@H]1Cc3cccc(O)c3C[N@H+]1CC2	ZINC000096930032	185132204	/nfs/dbraw/zinc/13/22/04/185132204.db2.gz	SJCUJBCYBXGZOY-CQSZACIVSA-N	1	2	283.327	2.459	1	10		CECFLO