smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408904022	570696446	/nfs/dbraw/zinc/69/64/46/570696446.db2.gz	CKQKFXNTKMAZRT-JXMROGBWSA-N	-2	0	371.280	2.106	40	10		FECBRL
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000016427993	539631949	/nfs/dbraw/zinc/63/19/49/539631949.db2.gz	OBOTXQZIHDIZSF-JYRVWZFOSA-N	-2	0	359.725	2.415	40	10		FECBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccccc2)C1=O	ZINC000059475185	540865034	/nfs/dbraw/zinc/86/50/34/540865034.db2.gz	TZHJJOLHWDBFGX-ATVHPVEESA-N	-2	0	360.373	2.348	40	10		FECBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)[N-]C2=S)cc1	ZINC000409195058	570738488	/nfs/dbraw/zinc/73/84/88/570738488.db2.gz	SRIDFHAPKPUFHU-KPKJPENVSA-N	-2	0	358.400	2.278	40	10		FECBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)c1	ZINC000016349469	539630433	/nfs/dbraw/zinc/63/04/33/539630433.db2.gz	GKPDFJAUQJRCRX-UVTDQMKNSA-N	-2	0	365.345	2.272	40	10		FECBRL
O=C([O-])/C=C/c1ccc(O)c2c1[C@@H](C(=O)[O-])[C@@H](c1ccc(O)c(O)c1)O2	ZINC000013383393	539586479	/nfs/dbraw/zinc/58/64/79/539586479.db2.gz	GJHXGOBGPWPCCK-HFPBVCCTSA-N	-2	0	358.302	2.203	40	10	biogenic,in-vitro	FECBRL
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409192703	570738163	/nfs/dbraw/zinc/73/81/63/570738163.db2.gz	ZEZQJRGCSSXDOF-MDWZMJQESA-N	-2	0	356.359	2.118	40	10		FECBRL
O=C([O-])/C=C/c1ccc2c(c1)O[C@@H](C(=O)[O-])[C@@H](c1ccc(O)c(O)c1)O2	ZINC000072319976	208186542	/nfs/dbraw/zinc/18/65/42/208186542.db2.gz	XOLNJKHCNSNACU-IZYLRLOCSA-N	-2	0	358.302	2.161	40	10	biogenic,in-vitro	FECBRL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408963038	263510540	/nfs/dbraw/zinc/51/05/40/263510540.db2.gz	LTKZWELTPBLVTK-XYOKQWHBSA-N	-2	0	369.358	2.132	40	10		FECBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)cc1	ZINC000409194642	570738493	/nfs/dbraw/zinc/73/84/93/570738493.db2.gz	QKMJYEKJFTZTTM-GSPDUGTFSA-N	-2	0	368.370	2.365	40	10		FECBRL
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408903881	570696523	/nfs/dbraw/zinc/69/65/23/570696523.db2.gz	AUTYYIMRDBJRLA-WUXMJOGZSA-N	-2	0	371.280	2.106	40	10		FECBRL
O=C([O-])COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000108063553	543282357	/nfs/dbraw/zinc/28/23/57/543282357.db2.gz	CIEDUOSPACFTNN-JYRVWZFOSA-N	-2	0	372.764	2.265	40	10		FECBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000016401123	211161327	/nfs/dbraw/zinc/16/13/27/211161327.db2.gz	OQJNVRPPBAREKS-GXDHUFHOSA-N	-2	0	357.366	2.092	40	10		FECBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000408903924	570696611	/nfs/dbraw/zinc/69/66/11/570696611.db2.gz	BGGWZBOKFFUWMM-MDWZMJQESA-N	-2	0	367.317	2.275	40	10		FECBRL
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408942162	570702094	/nfs/dbraw/zinc/70/20/94/570702094.db2.gz	XWEUXNUVGLXXHF-XNTDXEJSSA-N	-2	0	350.330	2.360	40	10		FECBRL
Cc1ccc(N2[N-]C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1C	ZINC000016312078	211159273	/nfs/dbraw/zinc/15/92/73/211159273.db2.gz	DVZWUMZLZBYLSE-OQLLNIDSSA-N	-2	0	353.334	2.379	40	10		FECBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000016349463	539631046	/nfs/dbraw/zinc/63/10/46/539631046.db2.gz	MYENEFUWPYEJJZ-GDNBJRDFSA-N	-2	0	365.345	2.272	40	10		FECBRL
O=C([O-])/C=C/c1ccc2c(c1)O[C@H](C(=O)[O-])[C@@H](c1ccc(O)c(O)c1)O2	ZINC000072319975	541799679	/nfs/dbraw/zinc/79/96/79/541799679.db2.gz	XOLNJKHCNSNACU-CHTJOOCBSA-N	-2	0	358.302	2.161	40	10	biogenic,in-vitro	FECBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000408962156	558689739	/nfs/dbraw/zinc/68/97/39/558689739.db2.gz	QLPBQQIAWAFFSK-UKTHLTGXSA-N	-2	0	367.317	2.275	40	10		FECBRL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000035351341	539980609	/nfs/dbraw/zinc/98/06/09/539980609.db2.gz	CINMVDORWPSALT-GHXNOFRVSA-N	-2	0	359.725	2.415	40	10		FECBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1Cl	ZINC000408995559	558690029	/nfs/dbraw/zinc/69/00/29/558690029.db2.gz	AYPLCYGRCDANIP-UHFFFAOYSA-N	-2	0	360.709	2.048	40	10		FECBRL
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000038186931	539998227	/nfs/dbraw/zinc/99/82/27/539998227.db2.gz	WSXGAKHSSSONDI-IZZDOVSWSA-N	-2	0	357.278	2.396	40	10		FECBRL
O=C([O-])/C=C/c1ccc(O)c(O)c1/C(=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000040974130	208278767	/nfs/dbraw/zinc/27/87/67/208278767.db2.gz	OAHRXWZJURTMHG-OEKSYNDNSA-N	-2	0	358.302	2.232	40	10		FECBRL
O=C([O-])/C=C/c1ccc(O)c2c1[C@@H](C(=O)[O-])[C@H](c1ccc(O)c(O)c1)O2	ZINC000013383394	539587071	/nfs/dbraw/zinc/58/70/71/539587071.db2.gz	GJHXGOBGPWPCCK-DBLORFJXSA-N	-2	0	358.302	2.203	40	10	biogenic,in-vitro	FECBRL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c([O-])c([N+](=O)[O-])c1	ZINC000033775911	539975249	/nfs/dbraw/zinc/97/52/49/539975249.db2.gz	BPUXMUMVKUCJGA-WDZFZDKYSA-N	-2	0	359.725	2.415	40	10		FECBRL
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408914165	558690032	/nfs/dbraw/zinc/69/00/32/558690032.db2.gz	ODPFJHKWPYDOBO-NTUHNPAUSA-N	-2	0	371.280	2.106	40	10		FECBRL
O=S(=O)([O-])c1ccc(/N=N/Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000004794954	207049991	/nfs/dbraw/zinc/04/99/91/207049991.db2.gz	AJMWXYSMAMYAIT-UHFFFAOYSA-N	-2	0	357.369	2.291	40	10		FECBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408903634	570697568	/nfs/dbraw/zinc/69/75/68/570697568.db2.gz	VCIAQCRPZKLBKY-MDWZMJQESA-N	-2	0	371.280	2.106	40	10		FECBRL
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000408756740	558689280	/nfs/dbraw/zinc/68/92/80/558689280.db2.gz	JENJIUSBNVYOSY-OQLLNIDSSA-N	-2	0	353.382	2.454	40	10		FECBRL
O=C([O-])/C=C/c1ccc2c(c1)O[C@H](C(=O)[O-])[C@H](c1ccc(O)c(O)c1)O2	ZINC000072319973	541799708	/nfs/dbraw/zinc/79/97/08/541799708.db2.gz	XOLNJKHCNSNACU-TWKUEOEHSA-N	-2	0	358.302	2.161	40	10	biogenic,in-vitro	FECBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408962960	570703682	/nfs/dbraw/zinc/70/36/82/570703682.db2.gz	WKMWUYBSGYLMMP-XYOKQWHBSA-N	-2	0	371.280	2.106	40	10		FECBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)cc1	ZINC000409189351	570739325	/nfs/dbraw/zinc/73/93/25/570739325.db2.gz	JVNSTMONDGKWGX-XYOKQWHBSA-N	-2	0	358.400	2.278	40	10		FECBRL
O=C([O-])/C=C/c1ccc2c(c1)O[C@@H](C(=O)[O-])[C@H](c1ccc(O)c(O)c1)O2	ZINC000072319974	541799382	/nfs/dbraw/zinc/79/93/82/541799382.db2.gz	XOLNJKHCNSNACU-FSBZLFFGSA-N	-2	0	358.302	2.161	40	10	biogenic,in-vitro	FECBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000014132652	539595696	/nfs/dbraw/zinc/59/56/96/539595696.db2.gz	XPPOKZVMPROIJW-XYOKQWHBSA-N	-2	0	367.317	2.275	40	10		FECBRL
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000032109770	539929868	/nfs/dbraw/zinc/92/98/68/539929868.db2.gz	SLIPKNBXCYYNJH-QPEQYQDCSA-N	-2	0	359.725	2.415	40	10		FECBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000032131472	539930047	/nfs/dbraw/zinc/93/00/47/539930047.db2.gz	CKRIVDIJIWXCAG-JYRVWZFOSA-N	-2	0	369.333	2.161	40	10		FECBRL
O=C([O-])COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033914321	539976066	/nfs/dbraw/zinc/97/60/66/539976066.db2.gz	DWLZIMIODFKGTI-ZROIWOOFSA-N	-2	0	372.764	2.265	40	10		FECBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000408898398	570696573	/nfs/dbraw/zinc/69/65/73/570696573.db2.gz	MAINTRRUFUEXTF-NTEUORMPSA-N	-2	0	367.317	2.275	40	10		FECBRL
Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000016347104	539631115	/nfs/dbraw/zinc/63/11/15/539631115.db2.gz	HKBDQKWPVYIXSB-UVTDQMKNSA-N	-2	0	365.345	2.272	40	10		FECBRL
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000000820697	219326691	/nfs/dbraw/zinc/32/66/91/219326691.db2.gz	SLIPKNBXCYYNJH-NTUHNPAUSA-N	-2	0	359.725	2.415	40	10		FECBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C1=O	ZINC000408533940	558686396	/nfs/dbraw/zinc/68/63/96/558686396.db2.gz	UBWWZEWZBMOTQR-GXDHUFHOSA-N	-2	0	365.345	2.272	40	10		FECBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408852500	570692038	/nfs/dbraw/zinc/69/20/38/570692038.db2.gz	GOHBDGNRERGTGK-KPKJPENVSA-N	-2	0	371.280	2.106	40	10		FECBRL