smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)[O-]	ZINC000096094895	717140936	/nfs/dbraw/zinc/14/09/36/717140936.db2.gz	ULLMWXPSQSZINF-INIZCTEOSA-O	-1	0	374.498	3.065	1	5	in-vitro	FGBFRM
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000169348433	206254108	/nfs/dbraw/zinc/25/41/08/206254108.db2.gz	WLYGTQMYYAPSQJ-ZPUQHVIOSA-N	-1	0	354.318	3.237	1	5		FGBFRM
O=c1nc2n(Cc3ccccc3)c3c(cccc3C(F)(F)F)cc-2c(=O)[n-]1	ZINC000096286446	205871489	/nfs/dbraw/zinc/87/14/89/205871489.db2.gz	KJINGTBKIBXJOF-UHFFFAOYSA-N	-1	0	371.318	3.257	1	5		FGBFRM
CCCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)[O-])ccc3oc12	ZINC000139015792	209378216	/nfs/dbraw/zinc/37/82/16/209378216.db2.gz	NUWIABMSURJNQJ-RUZDIDTESA-N	-1	0	360.387	3.171	1	5		FGBFRM
O=C([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1	ZINC000004428012	207020332	/nfs/dbraw/zinc/02/03/32/207020332.db2.gz	PNCALCVSMJUTNK-UHFFFAOYSA-N	-1	0	354.278	3.493	3	5		FGBFRM
C[C@H](c1ccsc1)n1[n-]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	ZINC000028655977	207970568	/nfs/dbraw/zinc/97/05/68/207970568.db2.gz	VZHWNSMTILBIFF-MRVPVSSYSA-N	-1	0	373.821	3.268	1	5		FGBFRM
Cn1c([N+](=O)[O-])cnc1[S@](=O)CCCCCCCCCCC(=O)[O-]	ZINC000169347026	209519817	/nfs/dbraw/zinc/51/98/17/209519817.db2.gz	OCADRTHJQCDZEW-XMMPIXPASA-N	-1	0	359.448	3.031	1	5		FGBFRM
Cc1cc([O-])c(C2=NCCS[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1	ZINC000005276972	207091927	/nfs/dbraw/zinc/09/19/27/207091927.db2.gz	MPCBYSNONPYRIL-OAHLLOKOSA-N	-1	0	360.391	3.229	1	5		FGBFRM
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c3ccc(C)nc3c2[O-])cc1	ZINC000040395839	208250991	/nfs/dbraw/zinc/25/09/91/208250991.db2.gz	ATORGAZGKVYXDX-UHFFFAOYSA-N	-1	0	367.361	3.096	1	5		FGBFRM
COc1cccc2c3c4c(cc(C(=O)[O-])c3c([N+](=O)[O-])c(OC)c12)OCO4	ZINC000045372149	208331026	/nfs/dbraw/zinc/33/10/26/208331026.db2.gz	LUTVDEQKDLXTSW-UHFFFAOYSA-N	-1	0	371.301	3.345	1	5		FGBFRM
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OCc1ccc2ccccc2n1	ZINC000040639870	208260299	/nfs/dbraw/zinc/26/02/99/208260299.db2.gz	SCHHHWNHXNNZKY-UHFFFAOYSA-N	-1	0	373.390	3.094	1	5		FGBFRM
Cn1c([N+](=O)[O-])cnc1[S@@](=O)CCCCCCCCCCC(=O)[O-]	ZINC000169347025	222564857	/nfs/dbraw/zinc/56/48/57/222564857.db2.gz	OCADRTHJQCDZEW-DEOSSOPVSA-N	-1	0	359.448	3.031	1	5		FGBFRM
C[N+](C)(C)[C@H](CCC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)[O-]	ZINC000085589981	571785769	/nfs/dbraw/zinc/78/57/69/571785769.db2.gz	VJPIDPQNAYWULC-INIZCTEOSA-O	-1	0	374.498	3.412	1	5	endogenous,in-man	FGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	ZINC000013863184	211063857	/nfs/dbraw/zinc/06/38/57/211063857.db2.gz	SOUDBMPGSXOWTG-NSHDSACASA-N	-1	0	361.329	3.241	1	5		FGBFRM
Cc1ncc([N+](=O)[O-])n1CCOc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000045386244	220971078	/nfs/dbraw/zinc/97/10/78/220971078.db2.gz	LGZDGZKYRHRSJK-UHFFFAOYSA-N	-1	0	360.153	3.184	1	5		FGBFRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)c1	ZINC000036241912	220809500	/nfs/dbraw/zinc/80/95/00/220809500.db2.gz	FIBATIZLKOYTAW-UHFFFAOYSA-N	-1	0	353.743	3.190	1	5		FGBFRM
COc1cccc2c1cc([N+](=O)[O-])c1c(CC(=O)[O-])cc3c(c21)OCO3	ZINC000013433310	291072873	/nfs/dbraw/zinc/07/28/73/291072873.db2.gz	WREVKVSQUJQADU-UHFFFAOYSA-N	-1	0	355.302	3.266	1	5	biogenic,in-vitro	FGBFRM
CC(C)(O)[C@@H]1Cc2cc3c(cc2O1)oc1c3c(=O)oc2cc([O-])ccc12	ZINC000013375730	291067128	/nfs/dbraw/zinc/06/71/28/291067128.db2.gz	PUGPPUXRVZRDGR-INIZCTEOSA-N	-1	0	352.342	3.472	1	5	biogenic,in-vitro	FGBFRM
CC(C)(Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000026397894	204849459	/nfs/dbraw/zinc/84/94/59/204849459.db2.gz	KXFLCVDKEJVSAB-UHFFFAOYSA-N	-1	0	359.338	3.481	1	5		FGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1	ZINC000027558146	207934396	/nfs/dbraw/zinc/93/43/96/207934396.db2.gz	JPXYFSJDHDOICD-NSHDSACASA-N	-1	0	361.329	3.241	1	5		FGBFRM
C[C@@H](c1ccsc1)n1[n-]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	ZINC000028655974	207970512	/nfs/dbraw/zinc/97/05/12/207970512.db2.gz	VZHWNSMTILBIFF-QMMMGPOBSA-N	-1	0	373.821	3.268	1	5		FGBFRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc3cc4ccccc4cc3c2)C1	ZINC000095554478	209079217	/nfs/dbraw/zinc/07/92/17/209079217.db2.gz	NVUYTSUMYCCEEU-QGZVFWFLSA-N	-1	0	369.442	3.478	1	5		FGBFRM
O=c1nc2n(-c3ccccc3)c3c(cccc3C(F)(F)F)cc-2c(=O)[n-]1	ZINC000096286456	222110651	/nfs/dbraw/zinc/11/06/51/222110651.db2.gz	BPHRPHHEZDJQER-UHFFFAOYSA-N	-1	0	357.291	3.198	1	5		FGBFRM
O=c1nc2n(-c3ccccc3)c3cc(C(F)(F)F)ccc3cc-2c(=O)[n-]1	ZINC000096282705	222111262	/nfs/dbraw/zinc/11/12/62/222111262.db2.gz	XGSBPBLXZMDSRW-UHFFFAOYSA-N	-1	0	357.291	3.198	1	5		FGBFRM
CC1(C)C[C@H](O[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1O	ZINC000101982302	222288745	/nfs/dbraw/zinc/28/87/45/222288745.db2.gz	ZSWARMWUYXPJPB-LBPRGKRZSA-N	-1	0	359.295	3.068	1	5		FGBFRM
COc1ccccc1-c1oc2c(CC(=O)[O-])cccc2c(=O)c1[N+](=O)[O-]	ZINC000013526442	211037199	/nfs/dbraw/zinc/03/71/99/211037199.db2.gz	FSELMKCCGFDLOE-UHFFFAOYSA-N	-1	0	355.302	3.004	1	5		FGBFRM
CC1(C)CC(O[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1O	ZINC000101982309	222287933	/nfs/dbraw/zinc/28/79/33/222287933.db2.gz	GMMZCVCOLAMKHF-UHFFFAOYSA-N	-1	0	373.322	3.458	1	5		FGBFRM
COc1ccc2c(cc([N+](=O)[O-])c3c(C(=O)[O-])cc4c(c23)OCO4)c1OC	ZINC000014761367	291072903	/nfs/dbraw/zinc/07/29/03/291072903.db2.gz	MGDVQIQTGYINCS-UHFFFAOYSA-N	-1	0	371.301	3.345	1	5	biogenic,in-vitro	FGBFRM
C[N+](C)(C)[C@@H](CCC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)[O-]	ZINC000096095146	717141043	/nfs/dbraw/zinc/14/10/43/717141043.db2.gz	VJPIDPQNAYWULC-MRXNPFEDSA-O	-1	0	374.498	3.412	1	5	in-vitro	FGBFRM
C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)[O-]	ZINC000096094894	717141015	/nfs/dbraw/zinc/14/10/15/717141015.db2.gz	ULLMWXPSQSZINF-MRXNPFEDSA-O	-1	0	374.498	3.065	1	5	in-vitro	FGBFRM
O=c1oc2cc(OCCCOc3ccccc3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000169337536	222563957	/nfs/dbraw/zinc/56/39/57/222563957.db2.gz	ZCYXWLHTPFQKQF-UHFFFAOYSA-N	-1	0	357.318	3.255	1	5		FGBFRM
CC1(C)C[C@@H](O[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1O	ZINC000101982305	222288289	/nfs/dbraw/zinc/28/82/89/222288289.db2.gz	ZSWARMWUYXPJPB-GFCCVEGCSA-N	-1	0	359.295	3.068	1	5		FGBFRM
C[C@@H](Oc1ccc(Oc2cnc3ccc([N+](=O)[O-])cc3n2)cc1)C(=O)[O-]	ZINC000029479467	220603877	/nfs/dbraw/zinc/60/38/77/220603877.db2.gz	DDPNPSWEVCKFDE-SNVBAGLBSA-N	-1	0	355.306	3.182	1	5		FGBFRM