smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]CCC[NH2+]CCCNCCC[NH2+]CC1CCCCCC1	ZINC000026658898	202147129	/nfs/dbraw/zinc/14/71/29/202147129.db2.gz	XJGQWRBLZQDGDM-UHFFFAOYSA-N	3	1	326.573	2.505	1	0		EFAFMP
C[N@H+]1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](CC2=[NH+]CCN2)C1	ZINC000029389491	202185140	/nfs/dbraw/zinc/18/51/40/202185140.db2.gz	XSZICMBQEFAVLI-AWEZNQCLSA-N	2	1	341.286	2.501	1	0		EFAFMP
Nc1cccc(C[N@@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)n1	ZINC000066074552	215006358	/nfs/dbraw/zinc/00/63/58/215006358.db2.gz	CNYCEOXPILIJJN-QGZVFWFLSA-N	2	1	325.460	2.677	1	0		EFAFMP
C[C@@](C(=O)O[C@H]1C[NH+]2CCC1CC2)(c1ccccc1)[NH+]1CCCC1	ZINC000073158561	216358253	/nfs/dbraw/zinc/35/82/53/216358253.db2.gz	BNDUWEJKIVVMAZ-ICSRJNTNSA-N	2	1	328.456	2.635	1	0		EFAFMP
Nc1cccnc1C[N@@H+](CCCC[NH3+])[C@H]1CCCc2cccnc21	ZINC000066075537	215006326	/nfs/dbraw/zinc/00/63/26/215006326.db2.gz	MSZYGLCHDDNCLO-SFHVURJKSA-N	2	1	325.460	2.677	1	0		EFAFMP
COc1ccc(C[C@@H]2CC[C@H](C[N@H+](C)C3CC[NH+](C)CC3)O2)cc1	ZINC000067774011	215209713	/nfs/dbraw/zinc/20/97/13/215209713.db2.gz	PRDQTRGGCWVGMF-VQTJNVASSA-N	2	1	332.488	2.811	1	0		EFAFMP
COc1ccc(C[C@@H]2CC[C@H](C[N@@H+](C)C3CC[NH+](C)CC3)O2)cc1	ZINC000067774011	215209717	/nfs/dbraw/zinc/20/97/17/215209717.db2.gz	PRDQTRGGCWVGMF-VQTJNVASSA-N	2	1	332.488	2.811	1	0		EFAFMP
C[C@H](c1cccc(N)n1)[N@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066076153	215007004	/nfs/dbraw/zinc/00/70/04/215007004.db2.gz	PVNOQBSJJFCQGF-CQSZACIVSA-N	2	1	338.459	2.842	1	0		EFAFMP
C[C@H](c1cccc(N)n1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066076153	215007008	/nfs/dbraw/zinc/00/70/08/215007008.db2.gz	PVNOQBSJJFCQGF-CQSZACIVSA-N	2	1	338.459	2.842	1	0		EFAFMP
[NH3+]CC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21	ZINC000019367581	212022216	/nfs/dbraw/zinc/02/22/16/212022216.db2.gz	JSUUQGMIVHBXLZ-UHFFFAOYSA-N	2	1	348.450	2.570	1	0		EFAFMP
Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)n1	ZINC000039485873	293253562	/nfs/dbraw/zinc/25/35/62/293253562.db2.gz	VGXGMFLSNGSNKY-HXUWFJFHSA-N	2	1	343.519	2.564	1	0		EFAFMP
C[C@](C(=O)O[C@H]1C[NH+]2CCC1CC2)(c1ccccc1)[NH+]1CCCC1	ZINC000073158558	216358795	/nfs/dbraw/zinc/35/87/95/216358795.db2.gz	BNDUWEJKIVVMAZ-AZUAARDMSA-N	2	1	328.456	2.635	1	0		EFAFMP
CCOC(=O)C1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000000221773	1335913653	/nfs/dbraw/zinc/91/36/53/1335913653.db2.gz	WKQZRFLBAGRLKF-UHFFFAOYSA-N	2	1	344.499	2.969	1	0		EFAFMP
C[N@@H+](Cc1cccs1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	ZINC000023231876	212361842	/nfs/dbraw/zinc/36/18/42/212361842.db2.gz	NLUAYWCIQXGJFC-MSOLQXFVSA-N	2	1	328.481	2.917	1	0		EFAFMP
[NH3+][C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H]([N@H+]2CCC[C@@H](O)C2)CC1	ZINC000101403028	219125771	/nfs/dbraw/zinc/12/57/71/219125771.db2.gz	RMXOUPIDCOTMSF-WCMCAJIFSA-N	2	1	338.442	2.850	1	0		EFAFMP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNCc1ccc2ccccc2c1	ZINC000103290085	219284352	/nfs/dbraw/zinc/28/43/52/219284352.db2.gz	CPPLWBWYVTXXNV-UHFFFAOYSA-N	3	1	342.531	2.628	1	0		EFAFMP
[NH3+]CCC[NH2+]CCCC[N@@H+](CCC[NH3+])Cc1ccc2ccccc2c1	ZINC000040762463	213384892	/nfs/dbraw/zinc/38/48/92/213384892.db2.gz	GMSRQWWHCHXEHR-UHFFFAOYSA-N	4	1	342.531	2.709	1	0		EFAFMP
CC[C@]12CCC[N@H+]3CC[C@@]4([C@H]5CCCC[C@H]5[NH2+][C@H]4[C@@H](C(=O)OC)C1)[C@@H]32	ZINC000040845985	213393311	/nfs/dbraw/zinc/39/33/11/213393311.db2.gz	PGUTWQMRJWQOOX-KDNKFBIHSA-N	2	1	346.515	2.961	1	0		EFAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(COC2CCCCC2)c1	ZINC000029217569	581092234	/nfs/dbraw/zinc/09/22/34/581092234.db2.gz	VBTPIRBEIMLOSF-UHFFFAOYSA-N	2	1	329.448	2.721	1	0		EFAFMP
Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)n1	ZINC000039485872	293253545	/nfs/dbraw/zinc/25/35/45/293253545.db2.gz	VGXGMFLSNGSNKY-FQEVSTJZSA-N	2	1	343.519	2.564	1	0		EFAFMP
CC(C)[NH+]1CCC(N2CC[N@H+](C3CCCCC3)C[C@H]2CCO)CC1	ZINC000104378007	219382759	/nfs/dbraw/zinc/38/27/59/219382759.db2.gz	NWHJRLDXIKYBPI-HXUWFJFHSA-N	2	1	337.552	2.561	3	0		EFAFMP
CC(C)[NH+]1CCC(N2CC[N@H+](C3CCCCC3)C[C@@H]2CCO)CC1	ZINC000020775051	212170289	/nfs/dbraw/zinc/17/02/89/212170289.db2.gz	NWHJRLDXIKYBPI-FQEVSTJZSA-N	2	1	337.552	2.561	3	0		EFAFMP
COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)CC(C)(C)CO)C1	ZINC000011775262	211246322	/nfs/dbraw/zinc/24/63/22/211246322.db2.gz	DPUHFAPEPXNUCL-SFHVURJKSA-N	2	1	348.531	2.900	3	0		EFAFMP
COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)CC(C)(C)CO)C1	ZINC000011775262	211246328	/nfs/dbraw/zinc/24/63/28/211246328.db2.gz	DPUHFAPEPXNUCL-SFHVURJKSA-N	2	1	348.531	2.900	3	0		EFAFMP
COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(C)(C)CO)C1	ZINC000011775262	211246330	/nfs/dbraw/zinc/24/63/30/211246330.db2.gz	DPUHFAPEPXNUCL-SFHVURJKSA-N	2	1	348.531	2.900	3	0		EFAFMP
Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1	ZINC000011664144	211232079	/nfs/dbraw/zinc/23/20/79/211232079.db2.gz	GMZMENAODCWIKL-IBGZPJMESA-N	2	1	339.487	2.847	1	0		EFAFMP
Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1	ZINC000011664145	211231136	/nfs/dbraw/zinc/23/11/36/211231136.db2.gz	GMZMENAODCWIKL-LJQANCHMSA-N	2	1	339.487	2.847	1	0		EFAFMP