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-])c1ccc2c(c1)[C@@H]([NH+]1CCOCC1)c1ccccc1-2	ZINC000031614011	285144052	/nfs/dbraw/zinc/14/40/52/285144052.db2.gz	RTLWPJTYYBGPBW-KRWDZBQOSA-N	1	2	296.326	2.997	40	5		CFBBLO
O=[N+]([O-])c1ccc(N2CCCCC2)cc1-n1cc[nH+]c1	ZINC000010006603	371902911	/nfs/dbraw/zinc/90/29/11/371902911.db2.gz	ZUJIPRSLUDSBMS-UHFFFAOYSA-N	1	2	272.308	2.771	40	5		CFBBLO
NNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189679	380955622	/nfs/dbraw/zinc/95/56/22/380955622.db2.gz	MUSGQQPZTZLSJY-UHFFFAOYSA-N	1	2	268.345	2.548	40	5		CFBBLO
O=[N+]([O-])c1ccc(-c2[nH]c3ccc(NCCO)cc3[nH+]2)cc1	ZINC000045206850	175328401	/nfs/dbraw/zinc/32/84/01/175328401.db2.gz	ZFAMDUOCYPBONI-UHFFFAOYSA-N	1	2	298.302	2.542	40	5		CFBBLO
O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)cc1	ZINC000004032122	371828804	/nfs/dbraw/zinc/82/88/04/371828804.db2.gz	DANULQMLQOADPM-UHFFFAOYSA-N	1	2	268.276	2.855	40	5		CFBBLO
O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccccc1)CC2	ZINC000095097382	375416379	/nfs/dbraw/zinc/41/63/79/375416379.db2.gz	ADYNDFLTYRSRDW-UHFFFAOYSA-N	1	2	269.304	2.548	40	5		CFBBLO
O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccccc1)CC2	ZINC000095097382	375416383	/nfs/dbraw/zinc/41/63/83/375416383.db2.gz	ADYNDFLTYRSRDW-UHFFFAOYSA-N	1	2	269.304	2.548	40	5		CFBBLO
CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000329004398	202147961	/nfs/dbraw/zinc/14/79/61/202147961.db2.gz	KRZWSEDDYCDVNC-UHFFFAOYSA-N	1	2	299.334	2.860	40	5		CFBBLO
CN(CCOc1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1	ZINC000082048508	374723726	/nfs/dbraw/zinc/72/37/26/374723726.db2.gz	TWIYXGCZNBTQEH-UHFFFAOYSA-N	1	2	273.292	2.505	40	5		CFBBLO
CC1CC[NH+](CC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034989715	372524597	/nfs/dbraw/zinc/52/45/97/372524597.db2.gz	UHIWQWAGWMBJMS-UHFFFAOYSA-N	1	2	262.309	2.509	40	5		CFBBLO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH+]1CCOCC1)c1ccccc1-2	ZINC000031614015	285144481	/nfs/dbraw/zinc/14/44/81/285144481.db2.gz	RTLWPJTYYBGPBW-QGZVFWFLSA-N	1	2	296.326	2.997	40	5		CFBBLO
C[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000045885953	277112134	/nfs/dbraw/zinc/11/21/34/277112134.db2.gz	CFHWVMSKQKIKIB-UHFFFAOYSA-N	1	2	290.150	2.653	40	5		CFBBLO
CC[n+]1nc2ccccc2c(Nc2ccccc2[N+](=O)[O-])n1	ZINC000016954067	540681972	/nfs/dbraw/zinc/68/19/72/540681972.db2.gz	FPIDUXVQHSOVEA-UHFFFAOYSA-N	1	2	296.310	2.589	40	5		CFBBLO
COc1ccc2c(ccc3c4c(c[nH+]c32)c(=O)[nH]n4C)c1	ZINC000001556816	371679165	/nfs/dbraw/zinc/67/91/65/371679165.db2.gz	FMLUVFPOKVMKQV-UHFFFAOYSA-N	1	2	279.299	2.577	40	5		CFBBLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)[N@H+](C)CC3	ZINC000031829696	372418523	/nfs/dbraw/zinc/41/85/23/372418523.db2.gz	YSUHODIMYOYCEO-QMMMGPOBSA-N	1	2	275.308	2.634	40	5		CFBBLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)[N@@H+](C)CC3	ZINC000031829696	372418529	/nfs/dbraw/zinc/41/85/29/372418529.db2.gz	YSUHODIMYOYCEO-QMMMGPOBSA-N	1	2	275.308	2.634	40	5		CFBBLO
CCC1([N+](=O)[O-])CN(C(C)(C)C)C[N@@H+](C(C)(C)C)C1	ZINC000019327490	372156941	/nfs/dbraw/zinc/15/69/41/372156941.db2.gz	GAEFAWYCSBHHJX-UHFFFAOYSA-N	1	2	271.405	2.584	40	5		CFBBLO
CCC1([N+](=O)[O-])CN(C(C)(C)C)C[N@H+](C(C)(C)C)C1	ZINC000019327490	372156947	/nfs/dbraw/zinc/15/69/47/372156947.db2.gz	GAEFAWYCSBHHJX-UHFFFAOYSA-N	1	2	271.405	2.584	40	5		CFBBLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)[N@H+](C)CC3	ZINC000001582981	371683220	/nfs/dbraw/zinc/68/32/20/371683220.db2.gz	YSUHODIMYOYCEO-MRVPVSSYSA-N	1	2	275.308	2.634	40	5		CFBBLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)[N@@H+](C)CC3	ZINC000001582981	371683224	/nfs/dbraw/zinc/68/32/24/371683224.db2.gz	YSUHODIMYOYCEO-MRVPVSSYSA-N	1	2	275.308	2.634	40	5		CFBBLO
O=C(C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000034981361	372525111	/nfs/dbraw/zinc/52/51/11/372525111.db2.gz	IXOJEEOFWHSAII-UHFFFAOYSA-N	1	2	262.309	2.654	40	5		CFBBLO
CC[NH+]1CCN(c2c(Cl)cc(C)cc2[N+](=O)[O-])CC1	ZINC000045886040	279373286	/nfs/dbraw/zinc/37/32/86/279373286.db2.gz	LUQRDFQJPFUUAS-UHFFFAOYSA-N	1	2	283.759	2.699	40	5		CFBBLO
Nc1ccc2[nH+]c(NCCCO)c3ccccc3c2c1	ZINC000031947481	372423970	/nfs/dbraw/zinc/42/39/70/372423970.db2.gz	UDOHJSXFPDHXFV-UHFFFAOYSA-N	1	2	267.332	2.765	40	5		CFBBLO
OCCNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409188594	380955659	/nfs/dbraw/zinc/95/56/59/380955659.db2.gz	FFZFMZPXZNACGC-UHFFFAOYSA-N	1	2	297.383	2.667	40	5		CFBBLO
C[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1	ZINC000045885892	277112137	/nfs/dbraw/zinc/11/21/37/277112137.db2.gz	BQBVYOYGIPXLPW-UHFFFAOYSA-N	1	2	290.150	2.653	40	5		CFBBLO
O=C(C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1	ZINC000315623669	393527758	/nfs/dbraw/zinc/52/77/58/393527758.db2.gz	WVCPSXUKXQDNFK-UHFFFAOYSA-N	1	2	296.326	2.836	40	5		CFBBLO
O=C(C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1	ZINC000315623669	393527766	/nfs/dbraw/zinc/52/77/66/393527766.db2.gz	WVCPSXUKXQDNFK-UHFFFAOYSA-N	1	2	296.326	2.836	40	5		CFBBLO
Nc1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)[nH+]c2c1	ZINC000066311162	373923922	/nfs/dbraw/zinc/92/39/22/373923922.db2.gz	HDEOYDROAKUIBC-UHFFFAOYSA-N	1	2	254.249	2.720	40	5		CFBBLO