smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3nc4cc[nH]cc-4c3c2)cc1	ZINC000040896526	205084519	/nfs/dbraw/zinc/08/45/19/205084519.db2.gz	ZIQKYGCWSWBPCQ-UHFFFAOYSA-N	0	1	369.358	3.392	1	5		FGBFMN
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1O	ZINC000169348433	206254114	/nfs/dbraw/zinc/25/41/14/206254114.db2.gz	WLYGTQMYYAPSQJ-ZPUQHVIOSA-N	0	1	354.318	3.237	1	5		FGBFMN
Cc1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc1	ZINC000169322066	206249882	/nfs/dbraw/zinc/24/98/82/206249882.db2.gz	GLQCYLJKKKTHBO-YOUFYPILSA-N	0	1	363.417	3.050	1	5		FGBFMN
O=C(Nc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000040565778	205072088	/nfs/dbraw/zinc/07/20/88/205072088.db2.gz	OBXOOVKHLHOREP-UHFFFAOYSA-N	0	1	351.149	3.452	1	5		FGBFMN
O=C(NC(=O)c1nc2ccc(Cl)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000103290463	209252539	/nfs/dbraw/zinc/25/25/39/209252539.db2.gz	YGJRVTDDLQLRGE-UHFFFAOYSA-N	0	1	359.729	3.086	1	5		FGBFMN
Cc1cc(O)c(C2=NCCS[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1	ZINC000005276972	207091932	/nfs/dbraw/zinc/09/19/32/207091932.db2.gz	MPCBYSNONPYRIL-OAHLLOKOSA-N	0	1	360.391	3.229	1	5		FGBFMN
C[N+]1(CCO[P@](=O)([O-])OCCOC2CCCCC2)CCCCC1	ZINC000027874591	717115306	/nfs/dbraw/zinc/11/53/06/717115306.db2.gz	WZEJBZYAVWRNJI-UHFFFAOYSA-O	0	1	350.416	3.100	1	5		FGBFMN
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccc2ccccc2n1	ZINC000040639870	208260306	/nfs/dbraw/zinc/26/03/06/208260306.db2.gz	SCHHHWNHXNNZKY-UHFFFAOYSA-N	0	1	373.390	3.094	1	5		FGBFMN
CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1CC[C@H]2N1C/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000096299326	222112980	/nfs/dbraw/zinc/11/29/80/222112980.db2.gz	PWPNUZUDFFUQTC-KUIFWKRLSA-N	0	1	355.438	3.224	1	5		FGBFMN
C=C1N=C(C)C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000100370978	222243280	/nfs/dbraw/zinc/24/32/80/222243280.db2.gz	VMWKQCFGKFPEJS-WUVIJCSQSA-N	0	1	360.366	3.406	1	5		FGBFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC	ZINC000100018302	222231162	/nfs/dbraw/zinc/23/11/62/222231162.db2.gz	CMLQWBKDTAQMNX-XIGQLOAZSA-N	0	1	360.366	3.406	1	5		FGBFMN
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c4cc[nH+]cc4c3c2)c1	ZINC000064548884	221147230	/nfs/dbraw/zinc/14/72/30/221147230.db2.gz	UANHPGXDIJVKHK-UHFFFAOYSA-N	0	1	368.374	3.425	1	5		FGBFMN
CC(C)(O)[C@@H]1Cc2cc3c(cc2O1)oc1c3c(=O)oc2cc(O)ccc12	ZINC000013375730	291067134	/nfs/dbraw/zinc/06/71/34/291067134.db2.gz	PUGPPUXRVZRDGR-INIZCTEOSA-N	0	1	352.342	3.472	1	5	biogenic,in-vitro	FGBFMN
CN1CCN(Cc2ccc3oc4cc(F)cc5c(=O)[nH]nc(c3c2)c45)CC1	ZINC000053297571	205191600	/nfs/dbraw/zinc/19/16/00/205191600.db2.gz	MADTWJZVRBHHOT-UHFFFAOYSA-N	0	1	366.396	3.121	1	5		FGBFMN
CS(=O)(=O)NCCCNc1nc2ccccc2c2[nH]c3ccccc3c21	ZINC000169348191	206252891	/nfs/dbraw/zinc/25/28/91/206252891.db2.gz	WBUZGTZQBORZOP-UHFFFAOYSA-N	0	1	368.462	3.221	1	5		FGBFMN
COc1c(=O)c(CC=C(C)C)c(O)c2c(O)c3cccc(O)c3n(C)c1-2	ZINC000014762490	220132607	/nfs/dbraw/zinc/13/26/07/220132607.db2.gz	GKBPFZFFEMNSRA-UHFFFAOYSA-N	0	1	355.390	3.326	1	5		FGBFMN
CCCN1C(=S)NC(C)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000100665130	209216192	/nfs/dbraw/zinc/21/61/92/209216192.db2.gz	NMUYSGNBSUTZOC-OAHLLOKOSA-N	0	1	363.439	3.484	1	5		FGBFMN
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013685941	207477008	/nfs/dbraw/zinc/47/70/08/207477008.db2.gz	YNLJPWBIYDXHDX-UHFFFAOYSA-N	0	1	364.409	3.391	1	5		FGBFMN
CC1(C)Oc2cc3oc4c(c3cc2C[C@@H]1O)c(=O)oc1cc(O)ccc41	ZINC000013375727	291067389	/nfs/dbraw/zinc/06/73/89/291067389.db2.gz	RPMMXKVPBSLSDA-INIZCTEOSA-N	0	1	352.342	3.472	1	5	biogenic,in-vitro	FGBFMN
CCCN1C(=S)NC(C)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000100665132	222248761	/nfs/dbraw/zinc/24/87/61/222248761.db2.gz	NMUYSGNBSUTZOC-HNNXBMFYSA-N	0	1	363.439	3.484	1	5		FGBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC	ZINC000100018299	222232093	/nfs/dbraw/zinc/23/20/93/222232093.db2.gz	CMLQWBKDTAQMNX-YWJBVVMDSA-N	0	1	360.366	3.406	1	5		FGBFMN
CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013686054	220086145	/nfs/dbraw/zinc/08/61/45/220086145.db2.gz	JTIPPBYRDLYHPP-UHFFFAOYSA-N	0	1	364.409	3.391	1	5		FGBFMN
C=C1N=C(C)C(C(=O)OC)[C@](C)(c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000100016124	222231203	/nfs/dbraw/zinc/23/12/03/222231203.db2.gz	ACTHJDWCQVJBHP-QRURKXGXSA-N	0	1	360.366	3.190	1	5		FGBFMN
C=C1N=C(C)C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000100370983	222242974	/nfs/dbraw/zinc/24/29/74/222242974.db2.gz	VMWKQCFGKFPEJS-WECAROLCSA-N	0	1	360.366	3.406	1	5		FGBFMN