smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1	ZINC000194475108	888367477	/nfs/dbraw/zinc/36/74/77/888367477.db2.gz	DXYWCYANLKUYLB-RDTXWAMCSA-N	2	2	390.465	3.737	10	5		GHBELP
C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1	ZINC000194475108	888367492	/nfs/dbraw/zinc/36/74/92/888367492.db2.gz	DXYWCYANLKUYLB-RDTXWAMCSA-N	2	2	390.465	3.737	10	5		GHBELP
CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000245502507	856904840	/nfs/dbraw/zinc/90/48/40/856904840.db2.gz	FZQUUFLNIQQBLY-UWVAXJGDSA-N	2	2	398.507	3.950	10	5		GHBELP
CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000245502507	856904847	/nfs/dbraw/zinc/90/48/47/856904847.db2.gz	FZQUUFLNIQQBLY-UWVAXJGDSA-N	2	2	398.507	3.950	10	5		GHBELP
CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000245502505	856905113	/nfs/dbraw/zinc/90/51/13/856905113.db2.gz	FZQUUFLNIQQBLY-FUHIMQAGSA-N	2	2	398.507	3.950	10	5		GHBELP
CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000245502505	856905118	/nfs/dbraw/zinc/90/51/18/856905118.db2.gz	FZQUUFLNIQQBLY-FUHIMQAGSA-N	2	2	398.507	3.950	10	5		GHBELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000126126523	860950004	/nfs/dbraw/zinc/95/00/04/860950004.db2.gz	IEZCWAOEUQRFFF-WTNAPCKOSA-N	2	2	394.519	3.811	10	5		GHBELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000126126523	860950009	/nfs/dbraw/zinc/95/00/09/860950009.db2.gz	IEZCWAOEUQRFFF-WTNAPCKOSA-N	2	2	394.519	3.811	10	5		GHBELP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1	ZINC000248763232	865930587	/nfs/dbraw/zinc/93/05/87/865930587.db2.gz	DXYWCYANLKUYLB-KSSFIOAISA-N	2	2	390.465	3.737	10	5		GHBELP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1	ZINC000248763232	865930589	/nfs/dbraw/zinc/93/05/89/865930589.db2.gz	DXYWCYANLKUYLB-KSSFIOAISA-N	2	2	390.465	3.737	10	5		GHBELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979385	849101593	/nfs/dbraw/zinc/10/15/93/849101593.db2.gz	IEZCWAOEUQRFFF-YHYVQYDKSA-N	2	2	394.519	3.811	10	5		GHBELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979385	849101602	/nfs/dbraw/zinc/10/16/02/849101602.db2.gz	IEZCWAOEUQRFFF-YHYVQYDKSA-N	2	2	394.519	3.811	10	5		GHBELP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1	ZINC000248763226	865930646	/nfs/dbraw/zinc/93/06/46/865930646.db2.gz	DXYWCYANLKUYLB-KDOFPFPSSA-N	2	2	390.465	3.737	10	5		GHBELP
C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1	ZINC000248763226	865930650	/nfs/dbraw/zinc/93/06/50/865930650.db2.gz	DXYWCYANLKUYLB-KDOFPFPSSA-N	2	2	390.465	3.737	10	5		GHBELP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1	ZINC000194475125	888368100	/nfs/dbraw/zinc/36/81/00/888368100.db2.gz	DXYWCYANLKUYLB-KBXCAEBGSA-N	2	2	390.465	3.737	10	5		GHBELP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1	ZINC000194475125	888368114	/nfs/dbraw/zinc/36/81/14/888368114.db2.gz	DXYWCYANLKUYLB-KBXCAEBGSA-N	2	2	390.465	3.737	10	5		GHBELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979381	849101817	/nfs/dbraw/zinc/10/18/17/849101817.db2.gz	IEZCWAOEUQRFFF-VOQZNFBZSA-N	2	2	394.519	3.811	10	5		GHBELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979381	849101824	/nfs/dbraw/zinc/10/18/24/849101824.db2.gz	IEZCWAOEUQRFFF-VOQZNFBZSA-N	2	2	394.519	3.811	10	5		GHBELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979390	849101892	/nfs/dbraw/zinc/10/18/92/849101892.db2.gz	IEZCWAOEUQRFFF-ZPMCFJSWSA-N	2	2	394.519	3.811	10	5		GHBELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000247979390	849101895	/nfs/dbraw/zinc/10/18/95/849101895.db2.gz	IEZCWAOEUQRFFF-ZPMCFJSWSA-N	2	2	394.519	3.811	10	5		GHBELP