smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1/C=[NH+]/CC1CCC(C/[NH+]=C/c2ccccc2O)CC1	ZINC000017720895	526369608	/nfs/dbraw/zinc/36/96/08/526369608.db2.gz	IQUQYVNGKZBPPJ-DFEHQXHXSA-N	2	2	350.462	4.442	50	30		FIEALP
COc1ccc([NH+]=C2NC(=[NH+]c3ccc(OC)cc3)c3ccccc32)cc1	ZINC000005695517	204220777	/nfs/dbraw/zinc/22/07/77/204220777.db2.gz	ARROBXXOCQYJKA-UHFFFAOYSA-N	2	2	357.413	4.464	50	30		FIEALP
CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(C#N)cc3)[nH+]c21	ZINC000253470623	571318548	/nfs/dbraw/zinc/31/85/48/571318548.db2.gz	RCKZURLSMPYRJK-UHFFFAOYSA-N	2	2	357.461	4.169	50	30		FIEALP
N#C[C@H]1CCC[N@H+](Cc2cccc(OCCCC[NH+]3CCCCC3)c2)C1	ZINC000215658821	568082361	/nfs/dbraw/zinc/08/23/61/568082361.db2.gz	MZKRJVJOWWYEEI-OAQYLSRUSA-N	2	2	355.526	4.067	50	30		FIEALP
N#C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC[NH+]3CCCCC3)c2)C1	ZINC000215658821	568082362	/nfs/dbraw/zinc/08/23/62/568082362.db2.gz	MZKRJVJOWWYEEI-OAQYLSRUSA-N	2	2	355.526	4.067	50	30		FIEALP
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cc1	ZINC000082099332	571322732	/nfs/dbraw/zinc/32/27/32/571322732.db2.gz	MPUPHSVCJNFWHL-QFIPXVFZSA-N	2	2	356.473	4.183	50	30		FIEALP
N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cc1	ZINC000082099332	571322733	/nfs/dbraw/zinc/32/27/33/571322733.db2.gz	MPUPHSVCJNFWHL-QFIPXVFZSA-N	2	2	356.473	4.183	50	30		FIEALP
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)o1	ZINC000077423010	571320981	/nfs/dbraw/zinc/32/09/81/571320981.db2.gz	LZGKUYFDGLFOQE-LJQANCHMSA-N	2	2	360.461	4.460	50	30		FIEALP
N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)o1	ZINC000077423010	571320982	/nfs/dbraw/zinc/32/09/82/571320982.db2.gz	LZGKUYFDGLFOQE-LJQANCHMSA-N	2	2	360.461	4.460	50	30		FIEALP
C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)CCCC2	ZINC000329234145	1090243618	/nfs/dbraw/zinc/24/36/18/1090243618.db2.gz	MNSVPBYKMGJDIA-KRWDZBQOSA-N	2	2	366.509	4.117	50	30		FIEALP
N#Cc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3[nH+]2)cc1	ZINC000253470574	571318544	/nfs/dbraw/zinc/31/85/44/571318544.db2.gz	JMDVGTCUJCOFOK-UHFFFAOYSA-N	2	2	369.472	4.314	50	30		FIEALP
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)o1	ZINC000077423018	571320977	/nfs/dbraw/zinc/32/09/77/571320977.db2.gz	LZGKUYFDGLFOQE-IBGZPJMESA-N	2	2	360.461	4.460	50	30		FIEALP
N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)o1	ZINC000077423018	571320978	/nfs/dbraw/zinc/32/09/78/571320978.db2.gz	LZGKUYFDGLFOQE-IBGZPJMESA-N	2	2	360.461	4.460	50	30		FIEALP
C[NH+]1CCN(c2ccccc2C=[NH+]Nc2cc(Cl)ccc2Cl)CC1	ZINC000033365242	571064553	/nfs/dbraw/zinc/06/45/53/571064553.db2.gz	LSXFUUWIYHCMII-BKUYFWCQSA-N	2	2	363.292	4.191	50	30		FIEALP
N#C[C@@H]1CCC[N@H+](Cc2cccc(OCCCC[NH+]3CCCCC3)c2)C1	ZINC000215658867	568082393	/nfs/dbraw/zinc/08/23/93/568082393.db2.gz	MZKRJVJOWWYEEI-NRFANRHFSA-N	2	2	355.526	4.067	50	30		FIEALP
N#C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC[NH+]3CCCCC3)c2)C1	ZINC000215658867	568082394	/nfs/dbraw/zinc/08/23/94/568082394.db2.gz	MZKRJVJOWWYEEI-NRFANRHFSA-N	2	2	355.526	4.067	50	30		FIEALP
CC(C)/[NH+]=C(/c1cccs1)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000102771585	1089958850	/nfs/dbraw/zinc/95/88/50/1089958850.db2.gz	WPTINNJWKGVMQE-DQRAZIAOSA-N	2	2	355.551	4.500	50	30		FIEALP
C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)CCCC2	ZINC000329234146	1090243846	/nfs/dbraw/zinc/24/38/46/1090243846.db2.gz	MNSVPBYKMGJDIA-QGZVFWFLSA-N	2	2	366.509	4.117	50	30		FIEALP
CC(C)/[NH+]=C(\c1cccs1)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000057991393	221096291	/nfs/dbraw/zinc/09/62/91/221096291.db2.gz	WPTINNJWKGVMQE-QURGRASLSA-N	2	2	355.551	4.500	50	30		FIEALP
N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cc1	ZINC000082099331	571322707	/nfs/dbraw/zinc/32/27/07/571322707.db2.gz	MPUPHSVCJNFWHL-JOCHJYFZSA-N	2	2	356.473	4.183	50	30		FIEALP
N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cc1	ZINC000082099331	571322708	/nfs/dbraw/zinc/32/27/08/571322708.db2.gz	MPUPHSVCJNFWHL-JOCHJYFZSA-N	2	2	356.473	4.183	50	30		FIEALP
C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3cc(C)[nH+]c(C)c3)c2)C[C@H]1C	ZINC000426498455	571228705	/nfs/dbraw/zinc/22/87/05/571228705.db2.gz	HLXAZBGYODNLTQ-RTBURBONSA-N	2	2	363.505	4.086	50	30		FIEALP
C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3cc(C)[nH+]c(C)c3)c2)C[C@H]1C	ZINC000426498455	571228706	/nfs/dbraw/zinc/22/87/06/571228706.db2.gz	HLXAZBGYODNLTQ-RTBURBONSA-N	2	2	363.505	4.086	50	30		FIEALP