smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1	ZINC000021405635	195301019	/nfs/dbraw/zinc/30/10/19/195301019.db2.gz	XJMMFTRAHUDHKY-JOCHJYFZSA-N	1	0	459.616	0.397	50	30		JCEARO
C[C@@H]1C[NH+](CCCNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000027506494	556282133	/nfs/dbraw/zinc/28/21/33/556282133.db2.gz	MYKJROMTZHDOSO-RTBURBONSA-N	1	0	463.604	0.480	50	30		JCEARO
C[C@@H]1C[N@@H+](CCCNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000027506499	556282017	/nfs/dbraw/zinc/28/20/17/556282017.db2.gz	MYKJROMTZHDOSO-KDURUIRLSA-N	1	0	463.604	0.480	50	30		JCEARO
C[C@H]1C[NH+](CCCNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000027506510	556282058	/nfs/dbraw/zinc/28/20/58/556282058.db2.gz	MYKJROMTZHDOSO-OALUTQOASA-N	1	0	463.604	0.480	50	30		JCEARO
C=CCOC[C@@H](O)Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056966679	569593762	/nfs/dbraw/zinc/59/37/62/569593762.db2.gz	VZIIVEMIFBCQOY-SFHVURJKSA-N	1	0	454.531	0.309	50	30		JCEARO
C=CCOC[C@H](O)Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056966680	569593833	/nfs/dbraw/zinc/59/38/33/569593833.db2.gz	VZIIVEMIFBCQOY-GOSISDBHSA-N	1	0	454.531	0.309	50	30		JCEARO
C=CCOC[C@@H](O)Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000170624477	569873351	/nfs/dbraw/zinc/87/33/51/569873351.db2.gz	UNKXPJKZBWQGLV-IBGZPJMESA-N	1	0	468.558	0.319	50	30		JCEARO
C=CCOC[C@H](O)Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000170624478	569873317	/nfs/dbraw/zinc/87/33/17/569873317.db2.gz	UNKXPJKZBWQGLV-LJQANCHMSA-N	1	0	468.558	0.319	50	30		JCEARO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1	ZINC000247692742	570068863	/nfs/dbraw/zinc/06/88/63/570068863.db2.gz	XJMMFTRAHUDHKY-QFIPXVFZSA-N	1	0	459.616	0.397	50	30		JCEARO
COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@+]2(C)CC(N)=O)cc1	ZINC000248020947	570072891	/nfs/dbraw/zinc/07/28/91/570072891.db2.gz	HSEZZMYMNDZPIK-GDJIYFAZSA-O	1	0	453.479	0.986	50	30	biogenic	JCEARO
COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@+]2(C)CC(N)=O)cc1	ZINC000248020962	570072854	/nfs/dbraw/zinc/07/28/54/570072854.db2.gz	HSEZZMYMNDZPIK-HMILPKGGSA-O	1	0	453.479	0.986	50	30	biogenic	JCEARO
COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@+]2(C)CC(N)=O)cc1	ZINC000248020968	570072878	/nfs/dbraw/zinc/07/28/78/570072878.db2.gz	HSEZZMYMNDZPIK-VKGTZQKMSA-O	1	0	453.479	0.986	50	30	biogenic	JCEARO
COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@+]2(C)CC(N)=O)cc1	ZINC000248020972	570072889	/nfs/dbraw/zinc/07/28/89/570072889.db2.gz	HSEZZMYMNDZPIK-WHLCRQNOSA-O	1	0	453.479	0.986	50	30	biogenic	JCEARO
COCCN1[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O	ZINC000575557538	1069863539	/nfs/dbraw/zinc/86/35/39/1069863539.db2.gz	FUEQEKDSBDLRFG-GGAORHGYSA-N	1	0	476.599	0.660	50	30		JCEARO