smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=C\C[n+]1ccc2ccccc2c1)\C[n+]1ccc2ccccc2c1	ZINC000066075279	184387184	/nfs/dbraw/zinc/38/71/84/184387184.db2.gz	PGHUZXCSVQYQGG-WAYWQWQTSA-N	2	0	312.416	3.824	1	0		DHAFRP
C(=C\C[n+]1cccc2ccccc21)\C[n+]1cccc2ccccc21	ZINC000071294737	190954050	/nfs/dbraw/zinc/95/40/50/190954050.db2.gz	SDYUXZXBOSJBHM-WAYWQWQTSA-N	2	0	312.416	3.824	1	0		DHAFRP
c1ccc([C@H]2C[NH2+]C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)cc1	ZINC000006579208	181356193	/nfs/dbraw/zinc/35/61/93/181356193.db2.gz	ZIJSVPUNZCZGCP-FGZHOGPDSA-N	2	0	320.480	3.869	1	0		DHAFRP
CC(C)(C)c1cc[n+](CCC[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000066100270	184389123	/nfs/dbraw/zinc/38/91/23/184389123.db2.gz	OBKUQIPOSJEQDO-UHFFFAOYSA-N	2	0	312.501	3.947	1	0		DHAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)cc2)cc1	ZINC000036476241	182826226	/nfs/dbraw/zinc/82/62/26/182826226.db2.gz	LFJMNKWLKNBHEE-UHFFFAOYSA-N	2	0	314.392	3.589	1	0		DHAFRP
C[NH+](C)C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[NH+](C)C	ZINC000003950332	181058655	/nfs/dbraw/zinc/05/86/55/181058655.db2.gz	NZSIQXBYQXDUKE-JTVPBKEVSA-N	2	0	320.480	3.633	1	0		DHAFRP
C[NH+](C)C12C[C@@H]([NH3+])C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000040379235	183058073	/nfs/dbraw/zinc/05/80/73/183058073.db2.gz	RUUMZQFIRKIRPV-NCIAWMRRSA-N	2	0	320.480	3.995	1	0		DHAFRP
Clc1cccc[n+]1CCCCCC[n+]1ccccc1Cl	ZINC000072138359	191048234	/nfs/dbraw/zinc/04/82/34/191048234.db2.gz	VAKMHVXOZIJIIP-UHFFFAOYSA-N	2	0	311.256	3.829	1	0		DHAFRP
C[NH+](C)CCCNc1c2c([nH+]c3c1CCCCC3)CCCC2	ZINC000013533676	181859151	/nfs/dbraw/zinc/85/91/51/181859151.db2.gz	IUTTZKBUMJDIPQ-UHFFFAOYSA-N	2	0	301.478	3.593	1	0		DHAFRP
NC(=[NH2+])c1cccc(-c2cccc(-c3cccc(C(N)=[NH2+])c3)c2)c1	ZINC000096908774	185390918	/nfs/dbraw/zinc/39/09/18/185390918.db2.gz	JZIFYYVBUSLFAX-UHFFFAOYSA-N	2	0	314.392	3.589	1	0		DHAFRP
C[NH+](C)C12C[C@@H]([NH3+])C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000040379233	183057901	/nfs/dbraw/zinc/05/79/01/183057901.db2.gz	RUUMZQFIRKIRPV-PNLSILQLSA-N	2	0	320.480	3.995	1	0		DHAFRP
[NH3+]CCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2	ZINC000096271306	193607893	/nfs/dbraw/zinc/60/78/93/193607893.db2.gz	KWXUIRXYJSLLKC-UHFFFAOYSA-N	2	0	303.837	3.918	1	0		DHAFRP
C(=C/C[n+]1ccc2ccccc2c1)\C[n+]1ccc2ccccc2c1	ZINC000066075277	184387167	/nfs/dbraw/zinc/38/71/67/184387167.db2.gz	PGHUZXCSVQYQGG-AATRIKPKSA-N	2	0	312.416	3.824	1	0		DHAFRP
C[NH+](C)C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[NH+](C)C	ZINC000003950334	181058807	/nfs/dbraw/zinc/05/88/07/181058807.db2.gz	NZSIQXBYQXDUKE-FDRBHKFBSA-N	2	0	320.480	3.633	1	0		DHAFRP
NC(=[NH2+])c1ccc(-c2cccc(-c3ccc(C(N)=[NH2+])cc3)c2)cc1	ZINC000096908137	185390735	/nfs/dbraw/zinc/39/07/35/185390735.db2.gz	QNPKECKSQVKWSD-UHFFFAOYSA-N	2	0	314.392	3.589	1	0		DHAFRP
C[NH+](C)C12C[C@H]([NH3+])C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000058559592	184122071	/nfs/dbraw/zinc/12/20/71/184122071.db2.gz	RUUMZQFIRKIRPV-SPQGHWSVSA-N	2	0	320.480	3.995	1	0		DHAFRP
C[NH+](C)C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[NH+](C)C	ZINC000026957854	182459561	/nfs/dbraw/zinc/45/95/61/182459561.db2.gz	NZSIQXBYQXDUKE-PHZLKFDYSA-N	2	0	320.480	3.633	1	0		DHAFRP
NC(=[NH2+])c1ccc(-c2cccc(-c3cccc(C(N)=[NH2+])c3)c2)cc1	ZINC000096908128	185390625	/nfs/dbraw/zinc/39/06/25/185390625.db2.gz	ZHWDUGWRVKOQEY-UHFFFAOYSA-N	2	0	314.392	3.589	1	0		DHAFRP