smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21	ZINC000043022816	563165135	/nfs/dbraw/zinc/16/51/35/563165135.db2.gz	RZZFBQBYOJVYAG-GFCCVEGCSA-N	0	1	468.464	3.549	1	5		JHBFMN
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)c(=O)c2cc(F)c(N3CC[NH2+][C@@H](C)C3)c(F)c21	ZINC000043022818	563165170	/nfs/dbraw/zinc/16/51/70/563165170.db2.gz	RZZFBQBYOJVYAG-LBPRGKRZSA-N	0	1	468.464	3.549	1	5		JHBFMN
Cc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	ZINC000061695568	563209566	/nfs/dbraw/zinc/20/95/66/563209566.db2.gz	FAVMDLIZKAPHSY-LEAFIULHSA-N	0	1	484.556	3.867	3	5		JHBFMN
CCCCCC(=O)OC[C@H](CC[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	ZINC000012503942	717107149	/nfs/dbraw/zinc/10/71/49/717107149.db2.gz	BRTDPJPTKQNAET-IBGZPJMESA-O	0	1	452.549	3.900	1	5	in-vivo	JHBFMN
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C3=NC(C)(C)CO3)cc2)c([N+](=O)[O-])c1	ZINC000013765349	562990534	/nfs/dbraw/zinc/99/05/34/562990534.db2.gz	WILIJFNSVIDRNY-UHFFFAOYSA-N	0	1	475.553	3.970	1	5		JHBFMN
O=C(NCC1CCCCC1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059878642	563209365	/nfs/dbraw/zinc/20/93/65/563209365.db2.gz	GIVSLKLPTIOHAZ-JYFHCDHNSA-N	0	1	462.550	3.896	3	5	aggregator	JHBFMN
CCCCCC(=O)OC[C@@H](CC[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	ZINC000012503941	717107026	/nfs/dbraw/zinc/10/70/26/717107026.db2.gz	BRTDPJPTKQNAET-LJQANCHMSA-O	0	1	452.549	3.900	1	5	in-vivo	JHBFMN
CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2[nH]1	ZINC000045253679	563182122	/nfs/dbraw/zinc/18/21/22/563182122.db2.gz	DMYRDNIPXHYLPR-UHFFFAOYSA-N	0	1	452.511	3.844	1	5		JHBFMN
COc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000059796500	563209218	/nfs/dbraw/zinc/20/92/18/563209218.db2.gz	ORGQCORWSNJSAD-SQHAQQRYSA-N	0	1	486.528	3.525	3	5	aggregator	JHBFMN
O=C(NCCc1cccs1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000061695564	563209516	/nfs/dbraw/zinc/20/95/16/563209516.db2.gz	KMSALHUCZNBRKQ-RCZVLFRGSA-N	0	1	476.558	3.620	3	5		JHBFMN
COc1cc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)ccc1[N+](=O)[O-]	ZINC000028570192	563070659	/nfs/dbraw/zinc/07/06/59/563070659.db2.gz	UTZJPPYHOXWXNS-UHFFFAOYSA-N	0	1	452.467	3.636	1	5		JHBFMN
Cc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000059785052	563209182	/nfs/dbraw/zinc/20/91/82/563209182.db2.gz	JMGDCZKPKPJJOJ-LEAFIULHSA-N	0	1	484.556	3.867	3	5		JHBFMN
O=C(NCc1ccccc1)[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059818399	563209239	/nfs/dbraw/zinc/20/92/39/563209239.db2.gz	BYZMBNJALWXFPP-ZEQKJWHPSA-N	0	1	456.502	3.516	3	5		JHBFMN
O=C(NCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059818399	563209240	/nfs/dbraw/zinc/20/92/40/563209240.db2.gz	BYZMBNJALWXFPP-ZEQKJWHPSA-N	0	1	456.502	3.516	3	5		JHBFMN
O=C(Nn1c(=O)c2[nH]nc(CCc3ccccc3)c2nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000049033107	563198133	/nfs/dbraw/zinc/19/81/33/563198133.db2.gz	XPAGDQWLMWMPEF-UHFFFAOYSA-N	0	1	480.484	3.864	1	5		JHBFMN
COc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000059796499	563209228	/nfs/dbraw/zinc/20/92/28/563209228.db2.gz	ORGQCORWSNJSAD-SHQCIBLASA-N	0	1	486.528	3.525	3	5	aggregator	JHBFMN
CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000013863837	563003631	/nfs/dbraw/zinc/00/36/31/563003631.db2.gz	WVCQICGGXLHQQZ-RQMBKDMJSA-N	0	1	480.550	3.996	1	5		JHBFMN
Cc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000061695566	563209528	/nfs/dbraw/zinc/20/95/28/563209528.db2.gz	RCWPOCZDTRGRIQ-SHQCIBLASA-N	0	1	470.529	3.825	3	5	aggregator	JHBFMN
Cc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	ZINC000061695569	563209555	/nfs/dbraw/zinc/20/95/55/563209555.db2.gz	FAVMDLIZKAPHSY-NAKRPHOHSA-N	0	1	484.556	3.867	3	5		JHBFMN
Cn1ccc2ccc3c4[nH]c5c(cccc5CCN5CCOCC5)c4c4c(c3c21)C(=O)NC4=O	ZINC000013535137	562972613	/nfs/dbraw/zinc/97/26/13/562972613.db2.gz	BDOCJJUGIOCUKN-UHFFFAOYSA-N	0	1	452.514	3.724	1	5		JHBFMN
Cc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	ZINC000059954858	563209417	/nfs/dbraw/zinc/20/94/17/563209417.db2.gz	AROILADSLQXSAC-SHQCIBLASA-N	0	1	470.529	3.825	3	5		JHBFMN
CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1	ZINC000027741582	563051059	/nfs/dbraw/zinc/05/10/59/563051059.db2.gz	KBCUYBORQXGCCG-LOSJGSFVSA-N	0	1	459.546	3.993	1	5		JHBFMN
O=C(c1c2ccccc2cc2ccccc21)N1CCN(C2CCN(C(=O)N3CCOCC3)CC2)CC1	ZINC000049067798	563200799	/nfs/dbraw/zinc/20/07/99/563200799.db2.gz	ICGMBLOBPRZQSW-UHFFFAOYSA-N	0	1	486.616	3.667	1	5		JHBFMN
O=C(NCCc1cccs1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000013478399	562967220	/nfs/dbraw/zinc/96/72/20/562967220.db2.gz	KMSALHUCZNBRKQ-RDGATRHJSA-N	0	1	476.558	3.620	3	5		JHBFMN
O=C(NCC1CCCCC1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000013478403	562967283	/nfs/dbraw/zinc/96/72/83/562967283.db2.gz	GIVSLKLPTIOHAZ-BVAGGSTKSA-N	0	1	462.550	3.896	3	5	aggregator	JHBFMN
O=C(NCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2	ZINC000059837283	563209293	/nfs/dbraw/zinc/20/92/93/563209293.db2.gz	LAEJUFUJAZTSIG-BVAGGSTKSA-N	0	1	456.502	3.516	3	5	aggregator	JHBFMN
COc1cccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)c1	ZINC000059796511	563209256	/nfs/dbraw/zinc/20/92/56/563209256.db2.gz	JGLYKVTXONJOFT-SQHAQQRYSA-N	0	1	486.528	3.525	3	5	aggregator	JHBFMN
Cc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000061695567	563209523	/nfs/dbraw/zinc/20/95/23/563209523.db2.gz	RCWPOCZDTRGRIQ-SQHAQQRYSA-N	0	1	470.529	3.825	3	5	aggregator	JHBFMN
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-]	ZINC000013560029	562975155	/nfs/dbraw/zinc/97/51/55/562975155.db2.gz	IMFGKZQWWQAMIT-UHFFFAOYSA-N	0	1	452.489	3.939	1	5		JHBFMN
COc1cccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)c1	ZINC000059796510	563209231	/nfs/dbraw/zinc/20/92/31/563209231.db2.gz	JGLYKVTXONJOFT-SHQCIBLASA-N	0	1	486.528	3.525	3	5	aggregator	JHBFMN
O=C(NCC1CCCCC1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059878640	563209387	/nfs/dbraw/zinc/20/93/87/563209387.db2.gz	GIVSLKLPTIOHAZ-ZEQKJWHPSA-N	0	1	462.550	3.896	3	5	aggregator	JHBFMN
O=C(NCCc1cccs1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000061695565	563209501	/nfs/dbraw/zinc/20/95/01/563209501.db2.gz	KMSALHUCZNBRKQ-WIOPSUGQSA-N	0	1	476.558	3.620	3	5		JHBFMN
CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000013863836	563003626	/nfs/dbraw/zinc/00/36/26/563003626.db2.gz	WVCQICGGXLHQQZ-LHUXKHBRSA-N	0	1	480.550	3.996	1	5		JHBFMN
Cc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	ZINC000059785053	563209190	/nfs/dbraw/zinc/20/91/90/563209190.db2.gz	JMGDCZKPKPJJOJ-NAKRPHOHSA-N	0	1	484.556	3.867	3	5		JHBFMN
O=C(NCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2	ZINC000059837282	563209276	/nfs/dbraw/zinc/20/92/76/563209276.db2.gz	LAEJUFUJAZTSIG-ZEQKJWHPSA-N	0	1	456.502	3.516	3	5	aggregator	JHBFMN
Cc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	ZINC000059954860	563209403	/nfs/dbraw/zinc/20/94/03/563209403.db2.gz	AROILADSLQXSAC-SQHAQQRYSA-N	0	1	470.529	3.825	3	5		JHBFMN
O=C(NCc1ccccc1)[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059818400	563209251	/nfs/dbraw/zinc/20/92/51/563209251.db2.gz	BYZMBNJALWXFPP-BVAGGSTKSA-N	0	1	456.502	3.516	3	5		JHBFMN
O=C(NCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059818400	563209252	/nfs/dbraw/zinc/20/92/52/563209252.db2.gz	BYZMBNJALWXFPP-BVAGGSTKSA-N	0	1	456.502	3.516	3	5		JHBFMN