smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(-c2ccc(C(N)=[NH2+])cc2)ccc1-c1ccc(C(N)=[NH2+])cc1	ZINC000066099754	184389111	/nfs/dbraw/zinc/38/91/11/184389111.db2.gz	PXAYMWPCQYIOKL-UHFFFAOYSA-N	2	0	317.396	2.927	1	0		DFAFRP
Cn1c2c(c(=[NH+]CCCC[NH3+])c3ccccc31)[C@@H]1C=CC=C[C@H]1N2	ZINC000103159147	185436172	/nfs/dbraw/zinc/43/61/72/185436172.db2.gz	LVJPHLHZQKQFET-GDBMZVCRSA-N	2	0	320.440	2.699	1	0		DFAFRP
CCC[NH2+][C@@H]1CC(=S)N2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@H]2C1)[C@H]34	ZINC000064559419	184299799	/nfs/dbraw/zinc/29/97/99/184299799.db2.gz	SXQICJLLTTTZCA-UJHHCITNSA-N	2	0	321.534	2.651	1	0		DFAFRP
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCCN2C3)[NH2+]C1	ZINC000013431926	560216683	/nfs/dbraw/zinc/21/66/83/560216683.db2.gz	YUKCLPPRYNXRAF-MILMJNAHSA-N	2	0	317.521	2.761	1	0	biogenic,in-vitro	DFAFRP
NC(=[NH2+])c1cccc(-c2cc(-c3cccc(C(N)=[NH2+])c3)on2)c1	ZINC000028643186	182532269	/nfs/dbraw/zinc/53/22/69/182532269.db2.gz	UHJYIWYKTCFGJU-UHFFFAOYSA-N	2	0	305.341	2.577	1	0		DFAFRP
[NH2+]=C(NCCCC[NH+]1CCCC1)NCc1ccc(Cl)cc1	ZINC000013809072	181899926	/nfs/dbraw/zinc/89/99/26/181899926.db2.gz	SSNHFYZOWVQRNS-UHFFFAOYSA-N	2	0	308.857	2.830	1	0		DFAFRP
COc1ccc(C(N)=[NH2+])cc1-c1cc2cc(C(N)=[NH2+])ccc2o1	ZINC000040828048	183138012	/nfs/dbraw/zinc/13/80/12/183138012.db2.gz	GWPHCNREPHVRGA-UHFFFAOYSA-N	2	0	308.341	2.677	1	0		DFAFRP
CC(C)[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]C(C)C	ZINC000013604283	181867877	/nfs/dbraw/zinc/86/78/77/181867877.db2.gz	NASFGXFQFZHDRP-UHFFFAOYSA-N	4	0	314.562	2.502	1	0		DFAFRP
COc1cc(C(N)=[NH2+])ccc1-c1cc2ccc(C(N)=[NH2+])cc2o1	ZINC000040828171	183138413	/nfs/dbraw/zinc/13/84/13/183138413.db2.gz	AIUAAUUJVLIVFP-UHFFFAOYSA-N	2	0	308.341	2.677	1	0		DFAFRP
[NH2+]=C(NCCCC[NH+]1CCCC1)NCCc1ccc(Cl)cc1	ZINC000013809076	181900091	/nfs/dbraw/zinc/90/00/91/181900091.db2.gz	DOBBEXOPHGZHJW-UHFFFAOYSA-N	2	0	322.884	2.872	1	0		DFAFRP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCCN2C3)[NH2+]C1	ZINC000014618565	257133171	/nfs/dbraw/zinc/13/31/71/257133171.db2.gz	YUKCLPPRYNXRAF-ROMHJBHXSA-N	2	0	317.521	2.761	1	0		DFAFRP
CN(CC[NH+](C)C)C1CC[NH+](Cc2cc3ccccc3o2)CC1	ZINC000019582434	182132529	/nfs/dbraw/zinc/13/25/29/182132529.db2.gz	WFUZMOZICUKGCW-UHFFFAOYSA-N	2	0	315.461	2.891	2	0		DFAFRP
CC[N@H+](CCOC)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000020455698	182219262	/nfs/dbraw/zinc/21/92/62/182219262.db2.gz	DMWWQLNFSALCOF-QGZVFWFLSA-N	2	0	316.489	2.834	2	0		DFAFRP
CC(C)[NH+](C[C@@]1(C2=[NH+]CCN2)Cc2ccccc2N1C)C(C)C	ZINC000029340510	182561401	/nfs/dbraw/zinc/56/14/01/182561401.db2.gz	XNRLQLYOOWQLOX-LJQANCHMSA-N	2	0	314.477	2.538	1	0		DFAFRP
NC(=[NH2+])c1ccc(/C=C/c2cc3ccc(C(N)=[NH2+])cc3[nH]2)cc1	ZINC000006535148	181351424	/nfs/dbraw/zinc/35/14/24/181351424.db2.gz	ZGFPRKOKGDLAKC-FPYGCLRLSA-N	2	0	303.369	2.906	1	0		DFAFRP
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3)on2)cc1	ZINC000006536322	181351992	/nfs/dbraw/zinc/35/19/92/181351992.db2.gz	WUDNAOHCIDAARE-UHFFFAOYSA-N	2	0	305.341	2.577	1	0		DFAFRP
NC(=[NH2+])c1ccc(/C=C/c2cc3cc(C(N)=[NH2+])ccc3[nH]2)cc1	ZINC000006535143	181351822	/nfs/dbraw/zinc/35/18/22/181351822.db2.gz	YYGMWTAKMHLIQJ-XVNBXDOJSA-N	2	0	303.369	2.906	1	0		DFAFRP
CCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCC	ZINC000026498994	182443572	/nfs/dbraw/zinc/44/35/72/182443572.db2.gz	UFSYBHAKCXFBSH-UHFFFAOYSA-N	4	0	314.562	2.505	1	0		DFAFRP
CC[N@H+](CCOC)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000020455697	182219439	/nfs/dbraw/zinc/21/94/39/182219439.db2.gz	DMWWQLNFSALCOF-KRWDZBQOSA-N	2	0	316.489	2.834	2	0		DFAFRP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@H]42)[C@H]2CCCCN2C3)[NH2+]C1	ZINC000059720919	257129085	/nfs/dbraw/zinc/12/90/85/257129085.db2.gz	YUKCLPPRYNXRAF-IOXPTURASA-N	3	0	317.521	2.761	1	0		DFAFRP
NC(=[NH2+])SCCCc1cccc(CCCSC(N)=[NH2+])c1	ZINC000040979498	183154526	/nfs/dbraw/zinc/15/45/26/183154526.db2.gz	ZIDDSXFNCLJXRC-UHFFFAOYSA-N	2	0	310.492	2.805	1	0		DFAFRP
NC(=[NH2+])c1ccc(-c2cccc(-c3ccc(C(N)=[NH2+])cc3)n2)cc1	ZINC000066099756	184388924	/nfs/dbraw/zinc/38/89/24/184388924.db2.gz	WHCNDAOEGPLGIM-UHFFFAOYSA-N	2	0	315.380	2.984	1	0		DFAFRP
NC1=[NH+]C[C@H](CCCC[NH3+])N1CCc1cccc2ccccc21	ZINC000012726971	181790854	/nfs/dbraw/zinc/79/08/54/181790854.db2.gz	JGPNZFVKMAYJNO-KRWDZBQOSA-N	2	0	310.445	2.510	3	0		DFAFRP
CC(C)[NH2+][C@@H]1CC(=S)N2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@H]2C1)[C@H]34	ZINC000064559420	184299491	/nfs/dbraw/zinc/29/94/91/184299491.db2.gz	ZJCDSDFSNPZSJC-UJHHCITNSA-N	2	0	321.534	2.649	1	0		DFAFRP
Cc1cc(C(N)=[NH2+])ccc1-c1ccc(-c2ccc(C(N)=[NH2+])cn2)o1	ZINC000040979439	183154532	/nfs/dbraw/zinc/15/45/32/183154532.db2.gz	SAGRSGGDGLBAMF-UHFFFAOYSA-N	2	0	319.368	2.885	1	0		DFAFRP
COc1cc(C(N)=[NH2+])ccc1-c1cc2cc(C(N)=[NH2+])ccc2o1	ZINC000040420614	183064638	/nfs/dbraw/zinc/06/46/38/183064638.db2.gz	KLBOXMAEINRAGI-UHFFFAOYSA-N	2	0	308.341	2.677	1	0		DFAFRP
NC(=[NH2+])c1ccc(-c2cnc(-c3ccc(C(N)=[NH2+])cc3)o2)cc1	ZINC000027646089	182484737	/nfs/dbraw/zinc/48/47/37/182484737.db2.gz	PQMRTHBIHQTMLW-UHFFFAOYSA-N	2	0	305.341	2.577	1	0		DFAFRP
COc1cc(C(N)=[NH2+])cc2cc(-c3ccc(C(N)=[NH2+])cc3)oc21	ZINC000040940027	183149969	/nfs/dbraw/zinc/14/99/69/183149969.db2.gz	XQYNISWXOZRZPN-UHFFFAOYSA-N	2	0	308.341	2.677	1	0		DFAFRP
[NH3+]CCC[NH2+]CCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000021987043	257211709	/nfs/dbraw/zinc/21/17/09/257211709.db2.gz	WOPFRKWPOKZFGW-UHFFFAOYSA-N	2	0	312.461	2.854	2	0		DFAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3cccc(C(N)=[NH2+])c3)o2)nc1	ZINC000027527268	182476110	/nfs/dbraw/zinc/47/61/10/182476110.db2.gz	KWPRZXMCINGIBT-UHFFFAOYSA-N	2	0	305.341	2.577	1	0		DFAFRP
[NH3+][C@H]1CN(c2cc[nH+]cc2)CC[C@@H]1c1cc(F)c(F)cc1F	ZINC000028707304	134671518	/nfs/dbraw/zinc/67/15/18/134671518.db2.gz	UFRKWKBDNOKBSE-BZNIZROVSA-N	2	0	307.319	2.820	1	0		DFAFRP