smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(Oc2ccc3c(c2)CC[NH2+]CC3)CC1	ZINC000038439459	174141142	/nfs/dbraw/zinc/14/11/42/174141142.db2.gz	XFMAJARUDAULHP-UHFFFAOYSA-N	2	0	288.435	2.626	1	0		CFAFRP
NC(=[NH2+])c1ccc2cc(-c3cccc(C(N)=[NH2+])c3)oc2c1	ZINC000040410394	174254666	/nfs/dbraw/zinc/25/46/66/174254666.db2.gz	ZZPJPUVMRJRWRH-UHFFFAOYSA-N	2	0	278.315	2.668	1	0		CFAFRP
Cn1c2ccc(O)cc2c2c1cc[nH+]c2NCCC[NH+](C)C	ZINC000005161534	170072187	/nfs/dbraw/zinc/07/21/87/170072187.db2.gz	AIRWWXZNIIRLEX-UHFFFAOYSA-N	2	0	298.390	2.796	1	0		CFAFRP
CC1(C)NC(=[NH2+])NC(=[NH2+])[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000045229865	175334350	/nfs/dbraw/zinc/33/43/50/175334350.db2.gz	MITUYFOINJGEGW-SECBINFHSA-N	2	0	285.178	2.960	1	0		CFAFRP
NC(=[NH2+])c1ccc(-c2nc3ccc(C(N)=[NH2+])cc3s2)cc1	ZINC000045366757	175363118	/nfs/dbraw/zinc/36/31/18/175363118.db2.gz	KTWUYOLBRZOMHU-UHFFFAOYSA-N	2	0	295.371	2.531	1	0		CFAFRP
[NH3+][C@H]1CCc2c1nc1c(c2-c2ccccc2)CC[C@@H]1[NH3+]	ZINC000005541559	170110911	/nfs/dbraw/zinc/11/09/11/170110911.db2.gz	UFYFSHZVERDTKN-KBPBESRZSA-N	2	0	265.360	2.641	1	0		CFAFRP
C[NH+](C)CCn1c2ccccc2c2c1CC[C@H]([NH+](C)C)C2	ZINC000039214009	174166160	/nfs/dbraw/zinc/16/61/60/174166160.db2.gz	HDKDUMNJNQHCRN-AWEZNQCLSA-N	2	0	285.435	2.622	1	0		CFAFRP
C[NH+](C)CCn1c2ccccc2c2c1CC[C@@H]([NH+](C)C)C2	ZINC000039214010	174166384	/nfs/dbraw/zinc/16/63/84/174166384.db2.gz	HDKDUMNJNQHCRN-CQSZACIVSA-N	2	0	285.435	2.622	1	0		CFAFRP
C[NH+](C)CCc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000028570127	171564447	/nfs/dbraw/zinc/56/44/47/171564447.db2.gz	MYIRACVNWVDBDH-UHFFFAOYSA-N	2	0	276.424	2.655	1	0		CFAFRP
CCC[NH2+]CCCCC[NH2+]CCCCC[NH2+]CCC	ZINC000013605754	170568617	/nfs/dbraw/zinc/56/86/17/170568617.db2.gz	ZBGOCSRUVMIYJN-UHFFFAOYSA-N	3	0	271.493	2.916	1	0		CFAFRP
CC1(C)NC(=[NH2+])NC(=[NH2+])[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000045229869	175334389	/nfs/dbraw/zinc/33/43/89/175334389.db2.gz	MITUYFOINJGEGW-VIFPVBQESA-N	2	0	285.178	2.960	1	0		CFAFRP
c1cc2c(cc1OCCC[NH+]1CCCCC1)CC[NH2+]C2	ZINC000040565513	174337015	/nfs/dbraw/zinc/33/70/15/174337015.db2.gz	AZOMSTRHULOYPT-UHFFFAOYSA-N	2	0	274.408	2.587	1	0		CFAFRP
C[NH+](C)C[C@H]1[C@@H]2C[NH2+]C[C@]12c1ccc(Cl)c(Cl)c1	ZINC000045394563	175376260	/nfs/dbraw/zinc/37/62/60/175376260.db2.gz	DFPSUOZWGQDKPI-COPLHBTASA-N	2	0	285.218	2.642	1	0		CFAFRP
[NH3+]CCC[NH2+]C1c2ccccc2CCc2ccccc21	ZINC000027079836	372335280	/nfs/dbraw/zinc/33/52/80/372335280.db2.gz	CTIKVBBEIVRRIR-UHFFFAOYSA-N	2	0	266.388	2.813	1	0		CFAFRP