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[nH]c(C=CC=Cc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000409349484	380957503	/nfs/dbraw/zinc/95/75/03/380957503.db2.gz	PQBPGSJTDSNBGJ-KBXRYBNXSA-N	-1	1	285.259	2.523	40	5		CFBBMM
Cn1c(-c2ccc(Cl)c([N+](=O)[O-])c2)n[n-]c1=S	ZINC000228977982	382849823	/nfs/dbraw/zinc/84/98/23/382849823.db2.gz	GHTHPEBEPCGRCS-UHFFFAOYSA-N	-1	1	270.701	2.706	40	5		CFBBMM
Cn1c(-c2cccc([N+](=O)[O-])c2Cl)n[n-]c1=S	ZINC000228925593	279301284	/nfs/dbraw/zinc/30/12/84/279301284.db2.gz	UFSYFBVWMRRTEE-UHFFFAOYSA-N	-1	1	270.701	2.706	40	5		CFBBMM
O=[N+]([O-])c1cnc2cc(Br)ccc2c1[O-]	ZINC000071864310	285184914	/nfs/dbraw/zinc/18/49/14/285184914.db2.gz	QJMLADCOCGDUQT-UHFFFAOYSA-N	-1	1	269.054	2.611	40	5		CFBBMM
O=c1c(CC2CC2)c([O-])[nH]c2cccc([N+](=O)[O-])c21	ZINC000685937339	570389508	/nfs/dbraw/zinc/38/95/08/570389508.db2.gz	PQWUCARNZQUPSS-UHFFFAOYSA-N	-1	1	260.249	2.507	40	5		CFBBMM
CCCc1n[n-]c(=S)n1NCc1cccc([N+](=O)[O-])c1	ZINC000007601394	170292625	/nfs/dbraw/zinc/29/26/25/170292625.db2.gz	ANXFPTGGOVUFQP-UHFFFAOYSA-N	-1	1	293.352	2.545	40	5		CFBBMM
COc1cc(/C=C(/C)[N+](=O)[O-])cc(Br)c1[O-]	ZINC000000076543	169528114	/nfs/dbraw/zinc/52/81/14/169528114.db2.gz	QLYHSPFQXJQEPS-UTCJRWHESA-N	-1	1	288.097	2.801	40	5		CFBBMM
O=C([O-])c1cccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c21	ZINC000006740879	170237045	/nfs/dbraw/zinc/23/70/45/170237045.db2.gz	DEOIUABBTFOUKH-UHFFFAOYSA-N	-1	1	283.243	2.836	40	5		CFBBMM
COc1cc(O)c2c(=O)c3c(C)cc([O-])cc3oc2c1	ZINC000014815320	372073826	/nfs/dbraw/zinc/07/38/26/372073826.db2.gz	UIKVQKMDLQHSKA-UHFFFAOYSA-N	-1	1	272.256	2.674	40	5	biogenic,in-vitro	CFBBMM
O=c1cc([O-])c2c(O)c3cc(Cl)ccc3[nH]c-2c1	ZINC000006513419	285208313	/nfs/dbraw/zinc/20/83/13/285208313.db2.gz	GQJBYJGKXPJLJL-UHFFFAOYSA-N	-1	1	261.664	2.746	40	5		CFBBMM
O=[N+]([O-])c1ccccc1Sc1n[n-]c(C(F)F)n1	ZINC000216903772	382784743	/nfs/dbraw/zinc/78/47/43/382784743.db2.gz	ZGQJPARZDNPYBE-UHFFFAOYSA-N	-1	1	272.236	2.802	40	5		CFBBMM
O=c1c2ccc([N+](=O)[O-])cc2[nH]c([O-])c1CC1CC1	ZINC000685937159	570389111	/nfs/dbraw/zinc/38/91/11/570389111.db2.gz	KDXKGSXXMIMEOY-UHFFFAOYSA-N	-1	1	260.249	2.507	40	5		CFBBMM
O=[N+]([O-])c1ccccc1Sc1n[n-]c(C(F)(F)F)n1	ZINC000078406538	177338843	/nfs/dbraw/zinc/33/88/43/177338843.db2.gz	MNVXAGHCLJQPKQ-UHFFFAOYSA-N	-1	1	290.226	2.883	40	5		CFBBMM
O=c1c2cc([N+](=O)[O-])ccc2[nH]c([O-])c1CC1CC1	ZINC000685937460	545574695	/nfs/dbraw/zinc/57/46/95/545574695.db2.gz	VWEKENSIZQDBKU-UHFFFAOYSA-N	-1	1	260.249	2.507	40	5		CFBBMM
O=c1c2ccc([N+](=O)[O-])cc2[nH]c([O-])c1-c1ccccc1	ZINC000136912318	540975932	/nfs/dbraw/zinc/97/59/32/540975932.db2.gz	GPZFVVJELNPWBU-UHFFFAOYSA-N	-1	1	282.255	2.809	40	5		CFBBMM
CCOC(=O)c1c[n-]c2c(Cl)cc([N+](=O)[O-])cc2c1=O	ZINC000026463223	372322288	/nfs/dbraw/zinc/32/22/88/372322288.db2.gz	BMQSFEFZRUWRAH-UHFFFAOYSA-N	-1	1	296.666	2.679	40	5		CFBBMM
O=[N+]([O-])c1ccc(Sc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000078406569	177339103	/nfs/dbraw/zinc/33/91/03/177339103.db2.gz	AFVUZTCPFKSNAW-UHFFFAOYSA-N	-1	1	290.226	2.883	40	5		CFBBMM
Cn1c(-c2ccc([N+](=O)[O-])cc2Cl)n[n-]c1=S	ZINC000228978626	302891540	/nfs/dbraw/zinc/89/15/40/302891540.db2.gz	OADAXBXZGRNENU-UHFFFAOYSA-N	-1	1	270.701	2.706	40	5		CFBBMM
Cc1cc(Nc2ncc(C)c(=O)[n-]2)cc([N+](=O)[O-])c1C	ZINC000408982862	380951021	/nfs/dbraw/zinc/95/10/21/380951021.db2.gz	ZNIARJMXKOSPMJ-UHFFFAOYSA-N	-1	1	274.280	2.759	40	5		CFBBMM
Cn1c(-c2cccc(Cl)c2[N+](=O)[O-])n[n-]c1=S	ZINC000228979858	302891493	/nfs/dbraw/zinc/89/14/93/302891493.db2.gz	BRQYHEPLJUBQED-UHFFFAOYSA-N	-1	1	270.701	2.706	40	5		CFBBMM
O=c1c2cccc([N+](=O)[O-])c2[nH]c([O-])c1CC1CC1	ZINC000685936967	570388765	/nfs/dbraw/zinc/38/87/65/570388765.db2.gz	FKFUKBKOVJXWTM-UHFFFAOYSA-N	-1	1	260.249	2.507	40	5		CFBBMM
COc1ccc(NC(=O)c2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000059474399	393624907	/nfs/dbraw/zinc/62/49/07/393624907.db2.gz	LMWQUCCQOFMFBD-UHFFFAOYSA-N	-1	1	288.259	2.561	40	5		CFBBMM
CCCc1n[n-]c(=S)n1NCc1ccc([N+](=O)[O-])cc1	ZINC000007601384	170292699	/nfs/dbraw/zinc/29/26/99/170292699.db2.gz	ONTOOZPZDDHCLU-UHFFFAOYSA-N	-1	1	293.352	2.545	40	5		CFBBMM
O=c1[nH]c(C=CC=Cc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000409349485	380957359	/nfs/dbraw/zinc/95/73/59/380957359.db2.gz	PQBPGSJTDSNBGJ-MVTUOISNSA-N	-1	1	285.259	2.523	40	5		CFBBMM
CC(C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1)=Cc1ccccc1	ZINC000015009287	277928342	/nfs/dbraw/zinc/92/83/42/277928342.db2.gz	NQLCPPMQXFYLQK-GOJKSUSPSA-N	-1	1	299.286	2.500	40	5		CFBBMM