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)CCNC(=O)c1ccc(NCC[NH2+]CCO)c2cc3ccccc3nc12	ZINC000027546565	204856450	/nfs/dbraw/zinc/85/64/50/204856450.db2.gz	HJYJYNUECRAFHK-UHFFFAOYSA-N	2	0	395.507	1.673	1	5		GDBFRP
CN(CCC[NH2+]CCCC[NH2+]CCC[NH3+])c1ccc([N+](=O)[O-])c2nonc21	ZINC000043066732	205082764	/nfs/dbraw/zinc/08/27/64/205082764.db2.gz	IBRBMVWQOOMKOT-UHFFFAOYSA-N	3	0	379.465	1.266	1	5		GDBFRP
[NH3+]CCCCNc1ccc2c(C[NH2+]CCO)nn3c2c1c(=O)c1c(O)cccc13	ZINC000101157092	208386819	/nfs/dbraw/zinc/38/68/19/208386819.db2.gz	MLALAUOKSFGZOH-UHFFFAOYSA-N	2	0	395.463	1.377	1	5		GDBFRP
[NH3+]CCOCCNc1nnc(NCCOCC[NH3+])c2cc3ccccc3cc21	ZINC000028647509	207346050	/nfs/dbraw/zinc/34/60/50/207346050.db2.gz	RZNNUZHKUVLYMP-UHFFFAOYSA-N	2	0	384.484	1.557	1	5		GDBFRP
O=C(CCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	ZINC000029411417	207362911	/nfs/dbraw/zinc/36/29/11/207362911.db2.gz	VRWUDMLSGDSUHI-UHFFFAOYSA-N	2	0	392.588	1.452	1	5		GDBFRP
Cc1cccc2cc3c(=O)n(CC[NH+](C)C)cc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000025999069	210487521	/nfs/dbraw/zinc/48/75/21/210487521.db2.gz	ZROKQJLWXIWMRR-UHFFFAOYSA-N	2	0	395.507	1.711	1	5		GDBFRP
C[n+]1c2ccccc2cc2c(C[NH2+][C@H](CCCNC(N)=[NH2+])C(=O)[O-])cccc21	ZINC000073369928	211127288	/nfs/dbraw/zinc/12/72/88/211127288.db2.gz	POYMNWJYVMWKKD-QGZVFWFLSA-O	2	0	380.472	1.624	1	5		GDBFRP
O=C(CCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	ZINC000029409333	717118306	/nfs/dbraw/zinc/11/83/06/717118306.db2.gz	LDBGKHSONFTBNK-UHFFFAOYSA-N	2	0	378.561	1.062	1	5		GDBFRP
C[N+](C)(C)CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(C(N)=[NH2+])cc1)[N@H+]1CCC[C@@H]21	ZINC000033360043	717120965	/nfs/dbraw/zinc/12/09/65/717120965.db2.gz	JCLUABDCGDTVPA-VJANTYMQSA-N	3	0	398.531	1.187	1	5	in-vitro	GDBFRP
C[NH+](C)CCNC(=O)c1cn(CC[NH+](C)C)c(=O)c2cc3ccccc3nc12	ZINC000025995550	221634486	/nfs/dbraw/zinc/63/44/86/221634486.db2.gz	WBSZQPBZOYHBKA-UHFFFAOYSA-N	2	0	381.480	1.403	1	5		GDBFRP