smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1)OCCN1C(=O)c2ccccc2C1=O	ZINC000026502402	563029271	/nfs/dbraw/zinc/02/92/71/563029271.db2.gz	CSDFOQMGWNXYBJ-UHFFFAOYSA-N	1	0	491.588	2.966	1	10		JFCFRO
COc1cc2c3c(n(CCCN4CCC([NH3+])CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064645	563118639	/nfs/dbraw/zinc/11/86/39/563118639.db2.gz	UYXWPAVDMZXXKG-UHFFFAOYSA-N	1	0	491.544	2.772	1	10		JFCFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@@H]([NH3+])C[C@H](C)O1	ZINC000058648641	563208578	/nfs/dbraw/zinc/20/85/78/563208578.db2.gz	UTXTXCVQYWYXAD-WTPVCQSKSA-N	1	0	495.528	2.943	1	10		JFCFRO
C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(N)cc1	ZINC000013557190	562973910	/nfs/dbraw/zinc/97/39/10/562973910.db2.gz	YVAXKZSHRIZAFJ-UHFFFAOYSA-N	1	0	490.608	2.657	1	10		JFCFRO
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1	ZINC000027200224	563041389	/nfs/dbraw/zinc/04/13/89/563041389.db2.gz	OWYUAWZVZOVGHB-CQSZACIVSA-N	1	0	492.502	2.825	1	10		JFCFRO
COCCOc1ccc(N2CC[NH+](CCSc3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1	ZINC000040410849	563140669	/nfs/dbraw/zinc/14/06/69/563140669.db2.gz	JAAZMFLAXXMDNB-UHFFFAOYSA-N	1	0	495.609	2.906	1	10		JFCFRO
COc1cc2c3c(n(CCC[N@@H+]4CCC[C@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064636	563118625	/nfs/dbraw/zinc/11/86/25/563118625.db2.gz	HFAMICGWCKPRLI-HNNXBMFYSA-N	1	0	492.528	2.806	1	10		JFCFRO
Nc1c2cc3ccc2[nH+]c2ccc(cc21)OCCOCCOCCOCCOCCOCCO3	ZINC000005940213	562935898	/nfs/dbraw/zinc/93/58/98/562935898.db2.gz	SDXHPEIUMMSVSM-UHFFFAOYSA-N	1	0	472.538	2.824	1	10		JFCFRO
COc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCC[NH2+]CCCCO)C2=O	ZINC000027194359	563041162	/nfs/dbraw/zinc/04/11/62/563041162.db2.gz	RVPOLWBWOSVUJJ-UHFFFAOYSA-N	1	0	496.560	3.000	1	10		JFCFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@@H]([NH3+])C[C@@H](C)O1	ZINC000027526863	563045651	/nfs/dbraw/zinc/04/56/51/563045651.db2.gz	UTXTXCVQYWYXAD-DDLWTVBGSA-N	1	0	495.528	2.943	1	10		JFCFRO
C[NH+](C)CCNC(=O)c1cccc2nc3ccc4c(OCCN5CCOCC5)cccc4c3nc21	ZINC000027768663	563051627	/nfs/dbraw/zinc/05/16/27/563051627.db2.gz	HQZUKGPRUDMBEC-UHFFFAOYSA-N	1	0	473.577	2.939	1	10		JFCFRO
CCOc1ccc(N2CC[NH+](CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1	ZINC000028891758	563085206	/nfs/dbraw/zinc/08/52/06/563085206.db2.gz	IOSLXICJNAAKOP-UHFFFAOYSA-N	1	0	473.541	2.537	1	10		JFCFRO
CN(C(=O)[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049035212	563198666	/nfs/dbraw/zinc/19/86/66/563198666.db2.gz	XLFYBBFQPXGDRB-QGZVFWFLSA-N	1	0	471.608	2.536	1	10		JFCFRO
C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1O	ZINC000013557205	562973950	/nfs/dbraw/zinc/97/39/50/562973950.db2.gz	YUOOFMSOEGEJCH-UHFFFAOYSA-N	1	0	491.592	2.781	1	10		JFCFRO
[NH3+]CC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1	ZINC000026844787	563037002	/nfs/dbraw/zinc/03/70/02/563037002.db2.gz	XCOGHDFCFAAFKO-UHFFFAOYSA-N	1	0	494.533	2.856	1	10		JFCFRO
COc1cc2c3c(n(CCCN4CCC[NH2+]CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064648	563118670	/nfs/dbraw/zinc/11/86/70/563118670.db2.gz	UTQWGRHDYWXDRN-UHFFFAOYSA-N	1	0	491.544	2.644	1	10		JFCFRO
COc1cc2c3c(n(CCC[N@@H+]4CCC[C@@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064639	563118686	/nfs/dbraw/zinc/11/86/86/563118686.db2.gz	HFAMICGWCKPRLI-OAHLLOKOSA-N	1	0	492.528	2.806	1	10		JFCFRO
CN(C(=O)[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049035214	563198697	/nfs/dbraw/zinc/19/86/97/563198697.db2.gz	XLFYBBFQPXGDRB-KRWDZBQOSA-N	1	0	471.608	2.536	1	10		JFCFRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)Cc4c(nccc4-c4ccc(C(N)=O)cc4)O3)cc2)CC1	ZINC000061898151	563209930	/nfs/dbraw/zinc/20/99/30/563209930.db2.gz	JJNKGVWCBZNHKP-MUUNZHRXSA-N	1	0	485.588	2.609	3	10		JFCFRO
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C[N+]#N	ZINC000026294196	563025892	/nfs/dbraw/zinc/02/58/92/563025892.db2.gz	XYNNBMPPUXHTFJ-SFTDATJTSA-N	1	0	452.511	2.630	1	10		JFCFRO
CC[C@@]1(C(=O)NCC[NH+]2CCCCC2)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000040401265	563139510	/nfs/dbraw/zinc/13/95/10/563139510.db2.gz	ZLICISHXTZFAOY-HHHXNRCGSA-N	1	0	472.545	2.803	1	10		JFCFRO
COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CC[NH2+]CC3)c2)ccc1O	ZINC000085625563	291486247	/nfs/dbraw/zinc/48/62/47/291486247.db2.gz	SAANZVCQYKZGTF-LJQANCHMSA-N	1	0	459.539	2.828	1	10	biogenic,in-vitro	JFCFRO
C/C(=C\C[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O)CCc1cc[nH+]c(N)c1	ZINC000085592746	560065624	/nfs/dbraw/zinc/06/56/24/560065624.db2.gz	UUNXUSRMNMHXNE-GRFXEHPHSA-N	1	0	464.518	2.836	1	10	biogenic,in-vitro	JFCFRO
COc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCC[NH2+]CCCO)C2=O	ZINC000027193341	563041042	/nfs/dbraw/zinc/04/10/42/563041042.db2.gz	SQBBIWWZRHLWSI-UHFFFAOYSA-N	1	0	482.533	2.609	1	10		JFCFRO
COc1cc2c3c(n(CCC[NH2+]CC(OC)OC)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027650732	563048630	/nfs/dbraw/zinc/04/86/30/563048630.db2.gz	PEKKBCHVPPPQBM-UHFFFAOYSA-N	1	0	496.516	2.557	1	10		JFCFRO
C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)Cc4c(nccc4-c4ccc(C(N)=O)cc4)O3)cc2)CC1	ZINC000061898158	563209909	/nfs/dbraw/zinc/20/99/09/563209909.db2.gz	JJNKGVWCBZNHKP-NDEPHWFRSA-N	1	0	485.588	2.609	3	10		JFCFRO
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1	ZINC000027200231	563041397	/nfs/dbraw/zinc/04/13/97/563041397.db2.gz	OWYUAWZVZOVGHB-AWEZNQCLSA-N	1	0	492.502	2.825	1	10		JFCFRO
CC[NH+](CC)CCNC(=O)[C@]1(CC)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000040895453	563153843	/nfs/dbraw/zinc/15/38/43/563153843.db2.gz	DNYAFFZPLFLUEH-AREMUKBSSA-N	1	0	460.534	2.659	1	10		JFCFRO
C[NH+](C)CCNC(=O)c1cc2cc(OCCN3CCOCC3)ccc2c2nc3ccccc3nc12	ZINC000013586919	562976786	/nfs/dbraw/zinc/97/67/86/562976786.db2.gz	LBKURFZYHMFJQI-UHFFFAOYSA-N	1	0	473.577	2.939	1	10		JFCFRO
COc1cc2c3c(n(CCCN4CC[NH+](C)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064642	563118692	/nfs/dbraw/zinc/11/86/92/563118692.db2.gz	NRKUWWSKJLFGMB-UHFFFAOYSA-N	1	0	491.544	2.596	1	10		JFCFRO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[NH+](Cc2ccc(N)cc2)CC1	ZINC000045498671	563196288	/nfs/dbraw/zinc/19/62/88/563196288.db2.gz	AGHJTSUKNAUSLC-BJKOFHAPSA-N	1	0	454.615	2.883	1	10		JFCFRO