smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001143140350	849476959	/nfs/dbraw/zinc/47/69/59/849476959.db2.gz	NTCIFTCIJYBVTH-CYBMUJFWSA-N	1	3	352.439	0.816	10	5		FCBEHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000101518446	488494825	/nfs/dbraw/zinc/49/48/25/488494825.db2.gz	ZQBBZBPDKOQLNR-ZDUSSCGKSA-N	1	3	353.427	0.061	10	5		FCBEHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000101518446	488494828	/nfs/dbraw/zinc/49/48/28/488494828.db2.gz	ZQBBZBPDKOQLNR-ZDUSSCGKSA-N	1	3	353.427	0.061	10	5		FCBEHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000597941888	492074100	/nfs/dbraw/zinc/07/41/00/492074100.db2.gz	GDZFVFCVXWBSNV-ZDUSSCGKSA-N	1	3	353.423	0.145	10	5		FCBEHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000597941888	492074101	/nfs/dbraw/zinc/07/41/01/492074101.db2.gz	GDZFVFCVXWBSNV-ZDUSSCGKSA-N	1	3	353.423	0.145	10	5		FCBEHO
C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O	ZINC000596365481	491984803	/nfs/dbraw/zinc/98/48/03/491984803.db2.gz	ZEAHXQQENTVVCU-LBPRGKRZSA-N	1	3	373.479	0.926	10	5		FCBEHO
C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O	ZINC000596365481	491984804	/nfs/dbraw/zinc/98/48/04/491984804.db2.gz	ZEAHXQQENTVVCU-LBPRGKRZSA-N	1	3	373.479	0.926	10	5		FCBEHO
CNc1nccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-]	ZINC000597941892	492074108	/nfs/dbraw/zinc/07/41/08/492074108.db2.gz	GKUQDVQDXASEIN-LBPRGKRZSA-N	1	3	352.439	1.033	10	5		FCBEHO
CNc1nccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-]	ZINC000597941892	492074110	/nfs/dbraw/zinc/07/41/10/492074110.db2.gz	GKUQDVQDXASEIN-LBPRGKRZSA-N	1	3	352.439	1.033	10	5		FCBEHO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000931217817	1211745879	/nfs/dbraw/zinc/74/58/79/1211745879.db2.gz	ZZPRYXHFDRPQFD-UHFFFAOYSA-N	1	3	364.450	0.775	10	5		FCBEHO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1	ZINC001660591619	1291665909	/nfs/dbraw/zinc/66/59/09/1291665909.db2.gz	FTZLCTCBBVICEF-MRXNPFEDSA-N	1	3	367.450	0.465	10	5		FCBEHO
Cc1nc(NCC[NH+]2CCCC2)nc(NCCN2CCCC2)c1[N+](=O)[O-]	ZINC000540284638	490813899	/nfs/dbraw/zinc/81/38/99/490813899.db2.gz	IPMGWGRJYUJCGR-UHFFFAOYSA-N	1	3	363.466	0.552	10	5		FCBEHO
C[NH+]1CCC(N2CCC(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1	ZINC001583985323	1282127188	/nfs/dbraw/zinc/12/71/88/1282127188.db2.gz	QRUKMGCHWLJRGQ-UHFFFAOYSA-N	1	3	362.434	0.860	10	5		FCBEHO
CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001143140351	849477126	/nfs/dbraw/zinc/47/71/26/849477126.db2.gz	NTCIFTCIJYBVTH-ZDUSSCGKSA-N	1	3	352.439	0.816	10	5		FCBEHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000597943350	492074038	/nfs/dbraw/zinc/07/40/38/492074038.db2.gz	YXFSHBIBHBCROL-ZDUSSCGKSA-N	1	3	354.455	0.915	10	5		FCBEHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000597943350	492074039	/nfs/dbraw/zinc/07/40/39/492074039.db2.gz	YXFSHBIBHBCROL-ZDUSSCGKSA-N	1	3	354.455	0.915	10	5		FCBEHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000101518445	488494908	/nfs/dbraw/zinc/49/49/08/488494908.db2.gz	ZQBBZBPDKOQLNR-CYBMUJFWSA-N	1	3	353.427	0.061	10	5		FCBEHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000101518445	488494909	/nfs/dbraw/zinc/49/49/09/488494909.db2.gz	ZQBBZBPDKOQLNR-CYBMUJFWSA-N	1	3	353.427	0.061	10	5		FCBEHO
CN(C)CCC[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	ZINC000596425882	491985252	/nfs/dbraw/zinc/98/52/52/491985252.db2.gz	XYLKOTNLERWWSK-UHFFFAOYSA-N	1	3	359.452	0.538	10	5		FCBEHO
CN(C)CCC[N@@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	ZINC000596425882	491985253	/nfs/dbraw/zinc/98/52/53/491985253.db2.gz	XYLKOTNLERWWSK-UHFFFAOYSA-N	1	3	359.452	0.538	10	5		FCBEHO