smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3Cl)c(=N)n1CC[NH+]1CCOCC1)c2=O	ZINC000002410910	552113765	/nfs/dbraw/zinc/11/37/65/552113765.db2.gz	KTTXPGVAMXZEKB-UHFFFAOYSA-N	1	2	506.994	2.353	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]23)cc1	ZINC000035870828	554085426	/nfs/dbraw/zinc/08/54/26/554085426.db2.gz	NLUYIDYUSFLUTI-AOYPEHQESA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@H]23)cc1	ZINC000035870828	554085424	/nfs/dbraw/zinc/08/54/24/554085424.db2.gz	NLUYIDYUSFLUTI-AOYPEHQESA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]23)cc1	ZINC000035870830	554085376	/nfs/dbraw/zinc/08/53/76/554085376.db2.gz	NLUYIDYUSFLUTI-AZGAKELHSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@H]23)cc1	ZINC000035870830	554085374	/nfs/dbraw/zinc/08/53/74/554085374.db2.gz	NLUYIDYUSFLUTI-AZGAKELHSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]12	ZINC000035870832	554085438	/nfs/dbraw/zinc/08/54/38/554085438.db2.gz	SFWXEDNWSWBWRU-ILBGXUMGSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CC(=O)N3CCCC3)C[C@H]12	ZINC000035870832	554085435	/nfs/dbraw/zinc/08/54/35/554085435.db2.gz	SFWXEDNWSWBWRU-ILBGXUMGSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]12	ZINC000035870834	554085488	/nfs/dbraw/zinc/08/54/88/554085488.db2.gz	SFWXEDNWSWBWRU-UKILVPOCSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CC(=O)N3CCCC3)C[C@H]12	ZINC000035870834	554085484	/nfs/dbraw/zinc/08/54/84/554085484.db2.gz	SFWXEDNWSWBWRU-UKILVPOCSA-N	1	2	521.618	2.248	50	5		KEBALO
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926275	554098775	/nfs/dbraw/zinc/09/87/75/554098775.db2.gz	IZWBTLOSDIBHHD-UHFFFAOYSA-N	1	2	521.553	2.102	50	5		KEBALO
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)cc1	ZINC000035960305	554108115	/nfs/dbraw/zinc/10/81/15/554108115.db2.gz	RUBXRBACQKEXGM-VWLOTQADSA-N	1	2	509.563	2.462	50	5		KEBALO
COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)cc1	ZINC000035960306	554108052	/nfs/dbraw/zinc/10/80/52/554108052.db2.gz	RUBXRBACQKEXGM-RUZDIDTESA-N	1	2	509.563	2.462	50	5		KEBALO
O=C(c1cccc(F)c1)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000096281259	553737101	/nfs/dbraw/zinc/73/71/01/553737101.db2.gz	VAAYDIYFKXOFSO-HSZRJFAPSA-N	1	2	500.527	2.050	50	5		KEBALO
O=C(c1cccc(F)c1)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000096281260	553737152	/nfs/dbraw/zinc/73/71/52/553737152.db2.gz	VAAYDIYFKXOFSO-QHCPKHFHSA-N	1	2	500.527	2.050	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]23)cc1OC	ZINC000100921663	554521569	/nfs/dbraw/zinc/52/15/69/554521569.db2.gz	BFOYSEYAXMVHTI-ILBGXUMGSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@H]23)cc1OC	ZINC000100921663	554521567	/nfs/dbraw/zinc/52/15/67/554521567.db2.gz	BFOYSEYAXMVHTI-ILBGXUMGSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]23)cc1OC	ZINC000100921665	554521547	/nfs/dbraw/zinc/52/15/47/554521547.db2.gz	BFOYSEYAXMVHTI-UKILVPOCSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@H]23)cc1OC	ZINC000100921665	554521545	/nfs/dbraw/zinc/52/15/45/554521545.db2.gz	BFOYSEYAXMVHTI-UKILVPOCSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1OC	ZINC000169678537	571555758	/nfs/dbraw/zinc/55/57/58/571555758.db2.gz	BFOYSEYAXMVHTI-NOZRDPDXSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1OC	ZINC000169678537	571555756	/nfs/dbraw/zinc/55/57/56/571555756.db2.gz	BFOYSEYAXMVHTI-NOZRDPDXSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1OC	ZINC000169678538	571555929	/nfs/dbraw/zinc/55/59/29/571555929.db2.gz	BFOYSEYAXMVHTI-ZCYQVOJMSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1OC	ZINC000169678538	571555928	/nfs/dbraw/zinc/55/59/28/571555928.db2.gz	BFOYSEYAXMVHTI-ZCYQVOJMSA-N	1	2	551.644	2.256	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CC(=O)N3CCCC3)C[C@@H]12	ZINC000169678545	571555898	/nfs/dbraw/zinc/55/58/98/571555898.db2.gz	SFWXEDNWSWBWRU-NOZRDPDXSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CC(=O)N3CCCC3)C[C@@H]12	ZINC000169678545	571555897	/nfs/dbraw/zinc/55/58/97/571555897.db2.gz	SFWXEDNWSWBWRU-NOZRDPDXSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CC(=O)N3CCCC3)C[C@@H]12	ZINC000169678546	571555921	/nfs/dbraw/zinc/55/59/21/571555921.db2.gz	SFWXEDNWSWBWRU-ZCYQVOJMSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccccc1CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CC(=O)N3CCCC3)C[C@@H]12	ZINC000169678546	571555920	/nfs/dbraw/zinc/55/59/20/571555920.db2.gz	SFWXEDNWSWBWRU-ZCYQVOJMSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1	ZINC000169678989	571556147	/nfs/dbraw/zinc/55/61/47/571556147.db2.gz	NLUYIDYUSFLUTI-RSXGOPAZSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1	ZINC000169678989	571556144	/nfs/dbraw/zinc/55/61/44/571556144.db2.gz	NLUYIDYUSFLUTI-RSXGOPAZSA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1	ZINC000169678990	571556091	/nfs/dbraw/zinc/55/60/91/571556091.db2.gz	NLUYIDYUSFLUTI-AHWVRZQESA-N	1	2	521.618	2.248	50	5		KEBALO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](CC(=O)N4CCCC4)C[C@@H]23)cc1	ZINC000169678990	571556090	/nfs/dbraw/zinc/55/60/90/571556090.db2.gz	NLUYIDYUSFLUTI-AHWVRZQESA-N	1	2	521.618	2.248	50	5		KEBALO