smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(CCC(=O)N(C)C)CC1	ZINC000262010028	649986340	/nfs/dbraw/zinc/98/63/40/649986340.db2.gz	WJYSXRSNPDAVMZ-HNNXBMFYSA-N	3	0	338.500	-0.248	10	30		EBEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261843784	649985535	/nfs/dbraw/zinc/98/55/35/649985535.db2.gz	WYGMYKHZFNRXSB-CVEARBPZSA-N	2	0	347.467	-0.631	10	30		EBEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159182761	649978103	/nfs/dbraw/zinc/97/81/03/649978103.db2.gz	NLANTBQXTZAQGV-OLZOCXBDSA-N	2	0	335.456	-0.002	10	30		EBEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261772416	649984823	/nfs/dbraw/zinc/98/48/23/649984823.db2.gz	OGLBWEAJPJLCJU-CVEARBPZSA-N	2	0	349.483	-0.385	10	30		EBEERP
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261999661	649986231	/nfs/dbraw/zinc/98/62/31/649986231.db2.gz	UAUSRLJJWIDZMV-UONOGXRCSA-N	2	0	345.513	-0.084	10	30		EBEERP
C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C#N	ZINC000912534967	650206846	/nfs/dbraw/zinc/20/68/46/650206846.db2.gz	ILQSTVZGQALRLP-KFWWJZLASA-N	2	0	333.436	-0.262	10	30		EBEERP
C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1C#N	ZINC000912534971	650207167	/nfs/dbraw/zinc/20/71/67/650207167.db2.gz	ILQSTVZGQALRLP-ZNMIVQPWSA-N	2	0	333.436	-0.262	10	30		EBEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261843788	649985506	/nfs/dbraw/zinc/98/55/06/649985506.db2.gz	WYGMYKHZFNRXSB-HZPDHXFCSA-N	2	0	347.467	-0.631	10	30		EBEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261772422	649984839	/nfs/dbraw/zinc/98/48/39/649984839.db2.gz	OGLBWEAJPJLCJU-HZPDHXFCSA-N	2	0	349.483	-0.385	10	30		EBEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2ncnn2C1	ZINC000261889863	649985448	/nfs/dbraw/zinc/98/54/48/649985448.db2.gz	VFFJOWSWEKAFEM-ZIAGYGMSSA-N	2	0	332.456	-0.852	10	30		EBEERP
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261999663	649986331	/nfs/dbraw/zinc/98/63/31/649986331.db2.gz	UAUSRLJJWIDZMV-ZIAGYGMSSA-N	2	0	345.513	-0.084	10	30		EBEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2ncnn2C1	ZINC000261889861	649985655	/nfs/dbraw/zinc/98/56/55/649985655.db2.gz	VFFJOWSWEKAFEM-UONOGXRCSA-N	2	0	332.456	-0.852	10	30		EBEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000114086612	584267845	/nfs/dbraw/zinc/26/78/45/584267845.db2.gz	AACLOTCZRYUVJW-GJZGRUSLSA-N	2	0	337.468	-0.021	10	30		EBEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(CCC(=O)N(C)C)CC1	ZINC000262010030	649986053	/nfs/dbraw/zinc/98/60/53/649986053.db2.gz	WJYSXRSNPDAVMZ-OAHLLOKOSA-N	3	0	338.500	-0.248	10	30		EBEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261974487	649985981	/nfs/dbraw/zinc/98/59/81/649985981.db2.gz	NLANTBQXTZAQGV-STQMWFEESA-N	2	0	335.456	-0.002	10	30		EBEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262419710	649987217	/nfs/dbraw/zinc/98/72/17/649987217.db2.gz	AACLOTCZRYUVJW-LSDHHAIUSA-N	2	0	337.468	-0.021	10	30		EBEERP