smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](c1ccccc1O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1	ZINC000251234633	334358614	/nfs/dbraw/zinc/35/86/14/334358614.db2.gz	KZEVYPXGCVHLAO-UAGQMJEPSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000251234633	334358616	/nfs/dbraw/zinc/35/86/16/334358616.db2.gz	KZEVYPXGCVHLAO-UAGQMJEPSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000251234633	334358618	/nfs/dbraw/zinc/35/86/18/334358618.db2.gz	KZEVYPXGCVHLAO-UAGQMJEPSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O	ZINC000088164184	327016842	/nfs/dbraw/zinc/01/68/42/327016842.db2.gz	PIUJMTCHKZUFQX-BTFYYFJDSA-N	2	1	288.435	3.448	10	10		CGCEMP
C[N@H+](CCC[NH2+]Cc1cccc(F)c1O)C1CCCCC1	ZINC000165029832	622853965	/nfs/dbraw/zinc/85/39/65/622853965.db2.gz	UFKUILPRRUGLLF-UHFFFAOYSA-N	2	1	294.414	3.276	10	10		CGCEMP
C[N@@H+](CCC[NH2+]Cc1cccc(F)c1O)C1CCCCC1	ZINC000165029832	622853967	/nfs/dbraw/zinc/85/39/67/622853967.db2.gz	UFKUILPRRUGLLF-UHFFFAOYSA-N	2	1	294.414	3.276	10	10		CGCEMP
CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(F)c1O	ZINC000164929300	331305500	/nfs/dbraw/zinc/30/55/00/331305500.db2.gz	GYBOKSZYQHKYJX-ZDUSSCGKSA-N	2	1	282.403	3.131	10	10		CGCEMP
Cc1cc(O)c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C	ZINC000151663262	327221080	/nfs/dbraw/zinc/22/10/80/327221080.db2.gz	GUSWDSWOVFONAN-UHFFFAOYSA-N	2	1	288.435	3.069	10	10		CGCEMP
CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O	ZINC000088164185	327016797	/nfs/dbraw/zinc/01/67/97/327016797.db2.gz	PIUJMTCHKZUFQX-UCMJJCQDSA-N	2	1	288.435	3.448	10	10		CGCEMP
CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(F)c1O	ZINC000164929190	331305527	/nfs/dbraw/zinc/30/55/27/331305527.db2.gz	GYBOKSZYQHKYJX-CYBMUJFWSA-N	2	1	282.403	3.131	10	10		CGCEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458334	622835888	/nfs/dbraw/zinc/83/58/88/622835888.db2.gz	IXVDHMZFBUOCIC-KRWDZBQOSA-N	2	1	299.418	3.179	10	10		CGCEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458334	622835890	/nfs/dbraw/zinc/83/58/90/622835890.db2.gz	IXVDHMZFBUOCIC-KRWDZBQOSA-N	2	1	299.418	3.179	10	10		CGCEMP
Cc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1O	ZINC000179986686	373951236	/nfs/dbraw/zinc/95/12/36/373951236.db2.gz	ZGSFCWDVCOQWTA-HNNXBMFYSA-N	2	1	297.402	3.030	10	10		CGCEMP
CC[C@H](c1ccccc1O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1	ZINC000217915009	333125162	/nfs/dbraw/zinc/12/51/62/333125162.db2.gz	KZEVYPXGCVHLAO-USXIJHARSA-N	2	1	288.435	3.259	10	10		CGCEMP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3O)C2)[nH+]1	ZINC000179567700	392704606	/nfs/dbraw/zinc/70/46/06/392704606.db2.gz	XJIVBLCJRWEAGN-HNNXBMFYSA-N	2	1	297.402	3.030	10	10		CGCEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3O)C2)[nH+]1	ZINC000179567700	392704612	/nfs/dbraw/zinc/70/46/12/392704612.db2.gz	XJIVBLCJRWEAGN-HNNXBMFYSA-N	2	1	297.402	3.030	10	10		CGCEMP
CC[C@H](c1ccccc1O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1	ZINC000211272209	392985335	/nfs/dbraw/zinc/98/53/35/392985335.db2.gz	KZEVYPXGCVHLAO-DJIMGWMZSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000211272209	392985340	/nfs/dbraw/zinc/98/53/40/392985340.db2.gz	KZEVYPXGCVHLAO-DJIMGWMZSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000211272209	392985342	/nfs/dbraw/zinc/98/53/42/392985342.db2.gz	KZEVYPXGCVHLAO-DJIMGWMZSA-N	2	1	288.435	3.259	10	10		CGCEMP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3O)C2)[nH+]1	ZINC000179567712	392704992	/nfs/dbraw/zinc/70/49/92/392704992.db2.gz	XJIVBLCJRWEAGN-OAHLLOKOSA-N	2	1	297.402	3.030	10	10		CGCEMP
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3O)C2)[nH+]1	ZINC000179567712	392704997	/nfs/dbraw/zinc/70/49/97/392704997.db2.gz	XJIVBLCJRWEAGN-OAHLLOKOSA-N	2	1	297.402	3.030	10	10		CGCEMP
CC[C@H](c1ccccc1O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1	ZINC000251234632	334358490	/nfs/dbraw/zinc/35/84/90/334358490.db2.gz	KZEVYPXGCVHLAO-OIISXLGYSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000251234632	334358492	/nfs/dbraw/zinc/35/84/92/334358492.db2.gz	KZEVYPXGCVHLAO-OIISXLGYSA-N	2	1	288.435	3.259	10	10		CGCEMP
CC[C@H](c1ccccc1O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000251234632	334358493	/nfs/dbraw/zinc/35/84/93/334358493.db2.gz	KZEVYPXGCVHLAO-OIISXLGYSA-N	2	1	288.435	3.259	10	10		CGCEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458206	622835780	/nfs/dbraw/zinc/83/57/80/622835780.db2.gz	IXVDHMZFBUOCIC-QGZVFWFLSA-N	2	1	299.418	3.179	10	10		CGCEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458206	622835786	/nfs/dbraw/zinc/83/57/86/622835786.db2.gz	IXVDHMZFBUOCIC-QGZVFWFLSA-N	2	1	299.418	3.179	10	10		CGCEMP