smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@H](O)[C@@H]2C1	ZINC000068267599	205272218	/nfs/dbraw/zinc/27/22/18/205272218.db2.gz	ZLNAXGITCVOBLN-VXKWHMMOSA-N	1	1	393.483	3.900	1	5		GHBFMO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC[N@H+]1C	ZINC000095589849	136182310	/nfs/dbraw/zinc/18/23/10/136182310.db2.gz	FPXFGQWJDCLQGG-ZDUSSCGKSA-N	1	1	388.855	3.641	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@H+]2CCC[C@H]2[C@H]1N	ZINC000073296355	222269602	/nfs/dbraw/zinc/26/96/02/222269602.db2.gz	ZGCLYFORSLOCKB-WMZHIEFXSA-N	1	1	378.472	3.997	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@H]2[C@H]1N	ZINC000073296355	222269605	/nfs/dbraw/zinc/26/96/05/222269605.db2.gz	ZGCLYFORSLOCKB-WMZHIEFXSA-N	1	1	378.472	3.997	1	5		GHBFMO
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c1Cl	ZINC000095589405	136182367	/nfs/dbraw/zinc/18/23/67/136182367.db2.gz	CAKDOAZUWFITOS-UHFFFAOYSA-N	1	1	388.855	3.561	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2C[C@H](O)C[C@@H]2C1	ZINC000068267593	205272168	/nfs/dbraw/zinc/27/21/68/205272168.db2.gz	PYOOBNNMRMMLBP-ZIAGYGMSSA-N	1	1	379.456	3.510	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CC[C@@H](O)[C@@H]2C1	ZINC000095552485	208231762	/nfs/dbraw/zinc/23/17/62/208231762.db2.gz	SEZONGIKROPSNH-LEWJYISDSA-N	1	1	379.456	3.510	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2C[C@@H](O)CC[C@@H]2C1	ZINC000095555754	208232155	/nfs/dbraw/zinc/23/21/55/208232155.db2.gz	RHTBCPPXWPNYSU-CABCVRRESA-N	1	1	393.483	3.900	1	5		GHBFMO
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	ZINC000096929584	208329450	/nfs/dbraw/zinc/32/94/50/208329450.db2.gz	OOJZICCVLMYSBQ-PWRODBHTSA-N	1	1	379.460	3.969	1	5		GHBFMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc3ccccc32)CC1	ZINC000095589189	136182308	/nfs/dbraw/zinc/18/23/08/136182308.db2.gz	COUROXWHMHIUCJ-UHFFFAOYSA-N	1	1	390.443	3.752	1	5		GHBFMO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC[N@H+]1C	ZINC000095589848	136182329	/nfs/dbraw/zinc/18/23/29/136182329.db2.gz	FPXFGQWJDCLQGG-CYBMUJFWSA-N	1	1	388.855	3.641	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CC[C@H](O)[C@@H]2C1	ZINC000095554337	208232858	/nfs/dbraw/zinc/23/28/58/208232858.db2.gz	SEZONGIKROPSNH-SFTDATJTSA-N	1	1	379.456	3.510	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CC[C@H](O)C[C@@H]2C1	ZINC000068267590	211032870	/nfs/dbraw/zinc/03/28/70/211032870.db2.gz	CNGIXIUEFVKHFX-CABCVRRESA-N	1	1	393.483	3.900	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CC[N@@H+](C)C[C@@H]2C1	ZINC000072112781	211069398	/nfs/dbraw/zinc/06/93/98/211069398.db2.gz	OUJVDVPAHVAOMW-HNNXBMFYSA-N	1	1	392.499	3.691	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CC[N@H+](C)C[C@@H]2C1	ZINC000072112781	211069402	/nfs/dbraw/zinc/06/94/02/211069402.db2.gz	OUJVDVPAHVAOMW-HNNXBMFYSA-N	1	1	392.499	3.691	1	5		GHBFMO
C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1	ZINC000095586369	211280883	/nfs/dbraw/zinc/28/08/83/211280883.db2.gz	KGNCUTSDWNMVFL-UHFFFAOYSA-N	1	1	388.855	3.642	1	5		GHBFMO
CC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2[C@@H](O)C1	ZINC000072317690	211089955	/nfs/dbraw/zinc/08/99/55/211089955.db2.gz	VDFINHSTQIXJDD-SFHVURJKSA-N	1	1	397.471	3.896	1	5		GHBFMO
CC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2[C@@H](O)C1	ZINC000072317690	211089951	/nfs/dbraw/zinc/08/99/51/211089951.db2.gz	VDFINHSTQIXJDD-SFHVURJKSA-N	1	1	397.471	3.896	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@@H](O)[C@@H]2C1	ZINC000095554448	211277638	/nfs/dbraw/zinc/27/76/38/211277638.db2.gz	ZLNAXGITCVOBLN-FCHUYYIVSA-N	1	1	393.483	3.900	1	5		GHBFMO
COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=[NH+]CCCN2)cc1	ZINC000001629433	209334420	/nfs/dbraw/zinc/33/44/20/209334420.db2.gz	LHIYUSZRTHAPHT-UHFFFAOYSA-N	1	1	378.388	3.665	1	5		GHBFMO
C[NH+](C)CCCN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095575652	535833726	/nfs/dbraw/zinc/83/37/26/535833726.db2.gz	ABVLNNAUTIXSKR-UHFFFAOYSA-N	1	1	387.531	3.943	1	5		GHBFMO
CC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2[C@H](O)C1	ZINC000072317689	222226012	/nfs/dbraw/zinc/22/60/12/222226012.db2.gz	VDFINHSTQIXJDD-GOSISDBHSA-N	1	1	397.471	3.896	1	5		GHBFMO
CC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2[C@H](O)C1	ZINC000072317689	222226015	/nfs/dbraw/zinc/22/60/15/222226015.db2.gz	VDFINHSTQIXJDD-GOSISDBHSA-N	1	1	397.471	3.896	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@@]2(CO)C1	ZINC000095603205	222359420	/nfs/dbraw/zinc/35/94/20/222359420.db2.gz	KSSDYLDWAFPPIT-DEOSSOPVSA-N	1	1	393.483	3.902	1	5		GHBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CC[C@@H](O)C[C@@H]2C1	ZINC000068267589	222171063	/nfs/dbraw/zinc/17/10/63/222171063.db2.gz	CNGIXIUEFVKHFX-HUUCEWRRSA-N	1	1	393.483	3.900	1	5		GHBFMO