smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000100502048	205945000	/nfs/dbraw/zinc/94/50/00/205945000.db2.gz	QETQBQXFHOFEMZ-UHFFFAOYSA-N	-2	0	369.333	2.593	50	5		FFBARL
O=C([O-])c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000013169209	506929618	/nfs/dbraw/zinc/92/96/18/506929618.db2.gz	JFSFSIGSOADOOS-SNAWJCMRSA-N	-2	0	356.290	2.643	50	5		FFBARL
C[C@H](Oc1cc(O[C@@H](C)C(=O)[O-])c2c(c1)oc(=O)c1ccccc12)C(=O)[O-]	ZINC000004025276	204117682	/nfs/dbraw/zinc/11/76/82/204117682.db2.gz	UZFGLYBIRURIOB-UWVGGRQHSA-N	-2	0	372.329	2.650	50	5	biogenic	FFBARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000012847817	206296539	/nfs/dbraw/zinc/29/65/39/206296539.db2.gz	GNAOVRRWAOUBDE-UHFFFAOYSA-N	-2	0	356.743	2.747	50	5		FFBARL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Cl	ZINC000003304035	206232624	/nfs/dbraw/zinc/23/26/24/206232624.db2.gz	TTWRAXAEAWJOLG-UHFFFAOYSA-N	-2	0	374.733	2.886	50	5		FFBARL
O=C([O-])c1ccc2c3nc4ccccc4n3c(=O)c3ccc(C(=O)[O-])c1c23	ZINC000004257346	207009292	/nfs/dbraw/zinc/00/92/92/207009292.db2.gz	DSSANGAZQNPXQR-UHFFFAOYSA-N	-2	0	358.309	2.988	50	5		FFBARL
CC[C@@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000009010326	207255974	/nfs/dbraw/zinc/25/59/74/207255974.db2.gz	WLSHSLYCMIQQFC-QEHWCHDUSA-N	-2	0	361.354	2.740	50	5		FFBARL
O=C([O-])c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000004695632	209500689	/nfs/dbraw/zinc/50/06/89/209500689.db2.gz	GRHRIKLVUZIDHD-UHFFFAOYSA-N	-2	0	364.697	2.897	50	5		FFBARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000000792949	206832093	/nfs/dbraw/zinc/83/20/93/206832093.db2.gz	IIJQJWNGBILZCU-UHFFFAOYSA-N	-2	0	356.743	2.747	50	5		FFBARL
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc(C(=O)[O-])c1	ZINC000005092571	209502529	/nfs/dbraw/zinc/50/25/29/209502529.db2.gz	HOPMJPYIZDIESV-UHFFFAOYSA-N	-2	0	364.697	2.897	50	5		FFBARL
CCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000009234901	207262011	/nfs/dbraw/zinc/26/20/11/207262011.db2.gz	RZSAJVQBRWRKDO-SOFGYWHQSA-N	-2	0	361.354	2.742	50	5		FFBARL
Cc1cc(C)c(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004860528	506400668	/nfs/dbraw/zinc/40/06/68/506400668.db2.gz	KZPWKDJZLLWCIB-UHFFFAOYSA-N	-2	0	358.306	2.860	50	5		FFBARL
CCOC(=O)c1cnc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000095455295	508186528	/nfs/dbraw/zinc/18/65/28/508186528.db2.gz	XRQTWWDVKLNIHA-HWKANZROSA-N	-2	0	358.306	2.741	50	5		FFBARL
CCOC(=O)c1cnc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000222078698	509310263	/nfs/dbraw/zinc/31/02/63/509310263.db2.gz	XRQTWWDVKLNIHA-HYXAFXHYSA-N	-2	0	358.306	2.741	50	5		FFBARL
O=C([O-])c1ccccc1-c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)o1	ZINC000009234798	506687811	/nfs/dbraw/zinc/68/78/11/506687811.db2.gz	KDSCCDZMZZPBNS-SOFGYWHQSA-N	-3	0	369.289	2.512	50	5		FFBARL
O=C([O-])c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c1	ZINC000016361626	220184427	/nfs/dbraw/zinc/18/44/27/220184427.db2.gz	HHGFZWVOJVIELD-ALCCZGGFSA-N	-3	0	369.289	2.512	50	5		FFBARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020255004	220320405	/nfs/dbraw/zinc/32/04/05/220320405.db2.gz	ZAAUOKJIOITHHV-UHFFFAOYSA-N	-2	0	356.743	2.747	50	5		FFBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC(C)C	ZINC000009234993	204359054	/nfs/dbraw/zinc/35/90/54/204359054.db2.gz	IQDHVHBUPVGLOE-SOFGYWHQSA-N	-2	0	361.354	2.740	50	5		FFBARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2[N+](=O)[O-])c1	ZINC000012865972	220036677	/nfs/dbraw/zinc/03/66/77/220036677.db2.gz	NIAXTTAACLZKNX-UHFFFAOYSA-N	-2	0	374.733	2.886	50	5		FFBARL
C[C@@H](Oc1cc(O[C@@H](C)C(=O)[O-])cc2oc(=O)c3ccccc3c12)C(=O)[O-]	ZINC000004025279	506355583	/nfs/dbraw/zinc/35/55/83/506355583.db2.gz	UZFGLYBIRURIOB-VHSXEESVSA-N	-2	0	372.329	2.650	50	5	biogenic	FFBARL
CC[C@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000009010327	506677572	/nfs/dbraw/zinc/67/75/72/506677572.db2.gz	WLSHSLYCMIQQFC-PCGIRMHASA-N	-2	0	361.354	2.740	50	5		FFBARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020219103	211273121	/nfs/dbraw/zinc/27/31/21/211273121.db2.gz	WADZTWKEIJQZED-UHFFFAOYSA-N	-2	0	356.743	2.747	50	5		FFBARL
C[C@@H](Oc1cc(O[C@H](C)C(=O)[O-])c2c(c1)oc(=O)c1ccccc12)C(=O)[O-]	ZINC000004025280	210504343	/nfs/dbraw/zinc/50/43/43/210504343.db2.gz	UZFGLYBIRURIOB-NXEZZACHSA-N	-2	0	372.329	2.650	50	5	biogenic	FFBARL
O=C([O-])c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c1	ZINC000009234821	506687197	/nfs/dbraw/zinc/68/71/97/506687197.db2.gz	HHGFZWVOJVIELD-FNORWQNLSA-N	-3	0	369.289	2.512	50	5		FFBARL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1[O-]	ZINC000034878945	506372168	/nfs/dbraw/zinc/37/21/68/506372168.db2.gz	PSPBSQFRKCRMSX-UHFFFAOYSA-N	-2	0	360.294	2.703	50	5		FFBARL
C[C@@H](Oc1cc(O[C@@H](C)C(=O)[O-])c2c(c1)oc(=O)c1ccccc12)C(=O)[O-]	ZINC000004025278	506355385	/nfs/dbraw/zinc/35/53/85/506355385.db2.gz	UZFGLYBIRURIOB-ZJUUUORDSA-N	-2	0	372.329	2.650	50	5	biogenic	FFBARL
CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000006830290	506509879	/nfs/dbraw/zinc/50/98/79/506509879.db2.gz	KRWGHFHVAUZIFB-UHFFFAOYSA-N	-2	0	369.333	2.593	50	5		FFBARL