smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C[NH+]2CCC(N3CCN(CCO)CC3)CC2)cc(C#N)n1C	ZINC000952991311	612140300	/nfs/dbraw/zinc/14/03/00/612140300.db2.gz	NMKIEUCSOUDZJL-UHFFFAOYSA-N	1	3	345.491	0.780	50	30		ECEAHO
C#CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000071904006	436028439	/nfs/dbraw/zinc/02/84/39/436028439.db2.gz	GZMNEDWTXRSDPS-GOSISDBHSA-N	1	3	334.508	0.959	50	30		ECEAHO
C#CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000071904006	436028445	/nfs/dbraw/zinc/02/84/45/436028445.db2.gz	GZMNEDWTXRSDPS-GOSISDBHSA-N	1	3	334.508	0.959	50	30		ECEAHO
C#CCN1CCCC[C@@H]1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000071904006	436028454	/nfs/dbraw/zinc/02/84/54/436028454.db2.gz	GZMNEDWTXRSDPS-GOSISDBHSA-N	1	3	334.508	0.959	50	30		ECEAHO
C#CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000071904005	436026285	/nfs/dbraw/zinc/02/62/85/436026285.db2.gz	GZMNEDWTXRSDPS-SFHVURJKSA-N	1	3	334.508	0.959	50	30		ECEAHO
C#CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000071904005	436026293	/nfs/dbraw/zinc/02/62/93/436026293.db2.gz	GZMNEDWTXRSDPS-SFHVURJKSA-N	1	3	334.508	0.959	50	30		ECEAHO
C#CCN1CCCC[C@H]1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000071904005	436026298	/nfs/dbraw/zinc/02/62/98/436026298.db2.gz	GZMNEDWTXRSDPS-SFHVURJKSA-N	1	3	334.508	0.959	50	30		ECEAHO
N#Cc1ccc(N2CCN(C(=O)C34CNCC3C[NH2+]C4)CC2)cc1	ZINC000065505854	283160610	/nfs/dbraw/zinc/16/06/10/283160610.db2.gz	QOYIXGGZZWEBQR-UHFFFAOYSA-N	1	3	325.416	0.016	50	30		ECEAHO
CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000019225826	436109154	/nfs/dbraw/zinc/10/91/54/436109154.db2.gz	KQVZJSOZZORERC-HNNXBMFYSA-O	1	3	331.396	0.791	50	30		ECEAHO
C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)N1CCCCC1	ZINC000104155094	523673088	/nfs/dbraw/zinc/67/30/88/523673088.db2.gz	NJYZJDVZADHJSH-UHFFFAOYSA-N	1	3	325.501	0.748	50	30		ECEAHO
[NH2+]=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCOCC1	ZINC000097001279	436536445	/nfs/dbraw/zinc/53/64/45/436536445.db2.gz	QTSAWLLVKGUCPJ-UHFFFAOYSA-N	1	3	345.491	0.841	50	30		ECEAHO
CCN1CCN(Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1	ZINC000097001264	436536836	/nfs/dbraw/zinc/53/68/36/436536836.db2.gz	FQEHVUDDBFMGGW-UHFFFAOYSA-N	1	3	345.491	0.971	50	30		ECEAHO
CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000019225823	436107666	/nfs/dbraw/zinc/10/76/66/436107666.db2.gz	KQVZJSOZZORERC-OAHLLOKOSA-O	1	3	331.396	0.791	50	30		ECEAHO
CCOCCC[NH+]=C(NCCCN(C)CCOC)N1CCOCC1	ZINC000072283336	436039936	/nfs/dbraw/zinc/03/99/36/436039936.db2.gz	SFIOUYFEOKYDJD-UHFFFAOYSA-N	1	3	344.500	0.659	50	30		ECEAHO
CC[NH+]=C(NC[C@@H]1CCCN(C)C1)N[C@@H]1CCCN(CCOC)C1	ZINC000086902228	545716659	/nfs/dbraw/zinc/71/66/59/545716659.db2.gz	ZUDCDLVQZYZYJR-DLBZAZTESA-N	1	3	339.528	0.994	50	30		ECEAHO
CC[NH+]=C(NC[C@@H]1CCCN(C)C1)N[C@H]1CCCN(CCOC)C1	ZINC000108458785	436618946	/nfs/dbraw/zinc/61/89/46/436618946.db2.gz	ZUDCDLVQZYZYJR-IRXDYDNUSA-N	1	3	339.528	0.994	50	30		ECEAHO