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)C12C[C@H](c3ccccc3)C([NH2+]CC1)[C@H](c1ccccc1)C2	ZINC000040576262	183104179	/nfs/dbraw/zinc/10/41/79/183104179.db2.gz	FPNYLRPWPLDJPE-FDRBHKFBSA-N	2	0	320.480	4.010	1	0		DIAFRP
C[NH2+]CCN1C(C)=[NH+]c2ccc(Cl)cc2[C@H]1c1ccccc1	ZINC000072126081	191041707	/nfs/dbraw/zinc/04/17/07/191041707.db2.gz	LMXLEVNEIVIVJL-GOSISDBHSA-N	2	0	313.832	4.014	1	0		DIAFRP
CC[NH+](CC)CCCNc1[nH+]cc(C)c2c1c1ccccc1n2C	ZINC000005139278	181208786	/nfs/dbraw/zinc/20/87/86/181208786.db2.gz	SMBGNSCNNDOQRB-UHFFFAOYSA-N	2	0	324.472	4.179	1	0		DIAFRP
[NH3+][C@H]1CC[C@@](c2cc3ccccc3s2)([NH+]2CCCCC2)CC1	ZINC000102921889	185426232	/nfs/dbraw/zinc/42/62/32/185426232.db2.gz	GQZMPYDZSHSPLL-UWUNEBHHSA-N	2	0	314.498	4.484	1	0		DIAFRP
[NH3+]CCCNCCC[N@H+]1CCCC/C=C/CCCCCCCC1	ZINC000090609692	185306600	/nfs/dbraw/zinc/30/66/00/185306600.db2.gz	QZTGAWRWGLYJLH-HWKANZROSA-N	2	0	323.569	4.088	1	0		DIAFRP
C[NH+](C)C12C[C@H](c3ccccc3)C([NH2+]CC1)[C@@H](c1ccccc1)C2	ZINC000040576264	183104441	/nfs/dbraw/zinc/10/44/41/183104441.db2.gz	FPNYLRPWPLDJPE-JTVPBKEVSA-N	2	0	320.480	4.010	1	0		DIAFRP
C[C@@H]([NH3+])[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000072127519	191043439	/nfs/dbraw/zinc/04/34/39/191043439.db2.gz	SAEILLXFGWMNLW-NFJVIFTASA-N	2	0	316.533	4.240	1	0		DIAFRP
C[NH+](C)C12C[C@@H](c3ccccc3)C([NH2+]CC1)[C@H](c1ccccc1)C2	ZINC000040403240	183061303	/nfs/dbraw/zinc/06/13/03/183061303.db2.gz	FPNYLRPWPLDJPE-PHZLKFDYSA-N	2	0	320.480	4.010	1	0		DIAFRP
c1ccc(C(c2ccccc2)[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1	ZINC000004237995	181087173	/nfs/dbraw/zinc/08/71/73/181087173.db2.gz	DNBAFVHBDXCTBT-UHFFFAOYSA-N	2	0	320.480	4.242	1	0		DIAFRP
C[NH2+]CCN1C(C)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1	ZINC000072126080	191041829	/nfs/dbraw/zinc/04/18/29/191041829.db2.gz	LMXLEVNEIVIVJL-SFHVURJKSA-N	2	0	313.832	4.014	1	0		DIAFRP
c1cc[n+](CCCCCCCCCCC[n+]2ccccc2)cc1	ZINC000013859948	581091146	/nfs/dbraw/zinc/09/11/46/581091146.db2.gz	RMHVLBGFZUPBFB-UHFFFAOYSA-N	2	0	312.501	4.473	1	0	in-vivo	DIAFRP
c1ccc(C(c2ccccc2)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1	ZINC000003956023	181058844	/nfs/dbraw/zinc/05/88/44/181058844.db2.gz	QIMJCKQBLFDLEI-UHFFFAOYSA-N	2	0	320.480	4.242	1	0		DIAFRP
Clc1cccc(-c2ccccc2C[NH2+]CC2CC[NH2+]CC2)c1	ZINC000049052724	183707010	/nfs/dbraw/zinc/70/70/10/183707010.db2.gz	IEMTYINPRAQQOU-UHFFFAOYSA-N	2	0	314.860	4.096	1	0		DIAFRP