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[n-]cnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040646603	183113499	/nfs/dbraw/zinc/11/34/99/183113499.db2.gz	JCHQMJQLYDAXFH-UHFFFAOYSA-N	-1	1	301.089	2.729	10	5		DFBEMM
CCCN(CC(=O)[O-])c1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000262324972	146351394	/nfs/dbraw/zinc/35/13/94/146351394.db2.gz	RNWRMWCGQWNFPS-UHFFFAOYSA-N	-1	1	303.318	2.752	10	5		DFBEMM
O=c1[n-]cnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	ZINC000040650230	183114434	/nfs/dbraw/zinc/11/44/34/183114434.db2.gz	IICHOOSERFWUSW-UHFFFAOYSA-N	-1	1	301.089	2.729	10	5		DFBEMM
Cc1ccc(Sc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628768	183110759	/nfs/dbraw/zinc/11/07/59/183110759.db2.gz	DDCZAUONAGIAEA-UHFFFAOYSA-N	-1	1	305.363	2.733	10	5		DFBEMM
CCc1c(C)nc(SCc2cccc([N+](=O)[O-])c2)[n-]c1=O	ZINC000005155353	181211426	/nfs/dbraw/zinc/21/14/26/181211426.db2.gz	SUMFBAJCNQTXNU-UHFFFAOYSA-N	-1	1	305.359	2.841	10	5		DFBEMM
O=c1[n-]cnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]	ZINC000040588086	183105775	/nfs/dbraw/zinc/10/57/75/183105775.db2.gz	KYKOQOLMDNPMSD-UHFFFAOYSA-N	-1	1	301.089	2.729	10	5		DFBEMM
Cc1ccc([N-]c2ncnc(Nc3cccnc3)c2[N+](=O)[O-])nc1	ZINC000040628508	183110783	/nfs/dbraw/zinc/11/07/83/183110783.db2.gz	DIEWNDSVOOWEGG-UHFFFAOYSA-N	-1	1	323.316	2.970	10	5		DFBEMM
O=[N+]([O-])c1cc(-c2nnc(-c3ccc(F)cc3)[nH]2)ccc1[O-]	ZINC000072237673	191081038	/nfs/dbraw/zinc/08/10/38/191081038.db2.gz	FYKWDWGHQYYOFM-UHFFFAOYSA-N	-1	1	300.249	2.892	10	5		DFBEMM
O=[N+]([O-])c1cc(-c2nc(-c3ccc(F)cc3)n[nH]2)ccc1[O-]	ZINC000072237673	191081039	/nfs/dbraw/zinc/08/10/39/191081039.db2.gz	FYKWDWGHQYYOFM-UHFFFAOYSA-N	-1	1	300.249	2.892	10	5		DFBEMM
O=C([O-])C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccs1	ZINC000005898407	181294431	/nfs/dbraw/zinc/29/44/31/181294431.db2.gz	VYRKWFNHVGJOEZ-LLVKDONJSA-N	-1	1	306.343	2.962	10	5		DFBEMM
O=c1[n-]cnc(Sc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040659891	183114788	/nfs/dbraw/zinc/11/47/88/183114788.db2.gz	ZTSJVMPLLPHMCF-UHFFFAOYSA-N	-1	1	300.299	2.790	10	5		DFBEMM
Cc1ccc([N-]c2ncnc(Nc3ccncc3)c2[N+](=O)[O-])nc1	ZINC000040586461	183105573	/nfs/dbraw/zinc/10/55/73/183105573.db2.gz	PHDBQUNMJUETQY-UHFFFAOYSA-N	-1	1	323.316	2.970	10	5		DFBEMM
C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000263068282	146414326	/nfs/dbraw/zinc/41/43/26/146414326.db2.gz	OOPLJKAPIAQVDN-GXSJLCMTSA-N	-1	1	312.753	2.791	10	5		DFBEMM
O=Cc1cccnc1[N-]c1ccc(Br)nc1[N+](=O)[O-]	ZINC000584631988	337376938	/nfs/dbraw/zinc/37/69/38/337376938.db2.gz	AASYNZMDVHXLJP-UHFFFAOYSA-N	-1	1	323.106	2.703	10	5		DFBEMM
COc1ccc(-c2n[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1	ZINC000072237678	191080411	/nfs/dbraw/zinc/08/04/11/191080411.db2.gz	HITRKLYJXXYUKH-UHFFFAOYSA-N	-1	1	312.285	2.761	10	5		DFBEMM
COc1ccc(-c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000072237678	191080413	/nfs/dbraw/zinc/08/04/13/191080413.db2.gz	HITRKLYJXXYUKH-UHFFFAOYSA-N	-1	1	312.285	2.761	10	5		DFBEMM
CCOC(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000004281425	181092471	/nfs/dbraw/zinc/09/24/71/181092471.db2.gz	XMLZULDAJZRLBM-UHFFFAOYSA-N	-1	1	310.287	2.678	10	5		DFBEMM
CCc1c(C)nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000005155347	181210949	/nfs/dbraw/zinc/21/09/49/181210949.db2.gz	LURMVQYKMDOZSO-UHFFFAOYSA-N	-1	1	305.359	2.841	10	5		DFBEMM
Cc1ccc(Oc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1C	ZINC000040629027	183110393	/nfs/dbraw/zinc/11/03/93/183110393.db2.gz	VJCMSVDEZURMDK-UHFFFAOYSA-N	-1	1	303.322	2.682	10	5		DFBEMM
COC(=O)c1ccccc1[N-]c1ncnc(Cl)c1[N+](=O)[O-]	ZINC000040571287	183104158	/nfs/dbraw/zinc/10/41/58/183104158.db2.gz	IXIHQFMASZKZJN-UHFFFAOYSA-N	-1	1	308.681	2.568	10	5		DFBEMM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1-n1ccnc1	ZINC000040661048	190666403	/nfs/dbraw/zinc/66/64/03/190666403.db2.gz	ZNTPEBAGNOCFFM-UHFFFAOYSA-N	-1	1	318.243	2.592	10	5		DFBEMM
CCN(c1cccc2ccccc21)c1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040589318	183105492	/nfs/dbraw/zinc/10/54/92/183105492.db2.gz	HLXPMAJDQSJXMV-UHFFFAOYSA-N	-1	1	310.313	2.989	10	5		DFBEMM
O=C([O-])C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccs1	ZINC000005898401	181294418	/nfs/dbraw/zinc/29/44/18/181294418.db2.gz	VYRKWFNHVGJOEZ-NSHDSACASA-N	-1	1	306.343	2.962	10	5		DFBEMM
O=c1[n-]cnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]	ZINC000040591569	183106880	/nfs/dbraw/zinc/10/68/80/183106880.db2.gz	DWVVOIOHKIFVHN-UHFFFAOYSA-N	-1	1	301.089	2.729	10	5		DFBEMM
O=[N+]([O-])c1cc(-c2nnc(-c3cccc(F)c3)[nH]2)ccc1[O-]	ZINC000072237699	191080883	/nfs/dbraw/zinc/08/08/83/191080883.db2.gz	OYUMMQXTLKVAGE-UHFFFAOYSA-N	-1	1	300.249	2.892	10	5		DFBEMM
O=c1[n-]cnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040659883	183115034	/nfs/dbraw/zinc/11/50/34/183115034.db2.gz	BQQXLKHEALPFRL-UHFFFAOYSA-N	-1	1	312.079	2.645	10	5		DFBEMM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Nc1ccncc1	ZINC000040586382	183106272	/nfs/dbraw/zinc/10/62/72/183106272.db2.gz	LULCTKJMKVAYDW-UHFFFAOYSA-N	-1	1	315.318	2.724	10	5		DFBEMM
O=[N+]([O-])c1c(Nc2cccnc2)[n-]cnc1=NNc1ccccc1	ZINC000040624391	183110414	/nfs/dbraw/zinc/11/04/14/183110414.db2.gz	NLOWEGPSORQYJZ-UHFFFAOYSA-N	-1	1	323.316	2.962	10	5		DFBEMM
CCOC(=O)c1cnc2c(ccc3c([O-])c([N+](=O)[O-])cnc32)c1	ZINC000095080521	426363886	/nfs/dbraw/zinc/36/38/86/426363886.db2.gz	SVVWANINJIPEPI-UHFFFAOYSA-N	-1	1	313.269	2.574	10	5		DFBEMM
CCOC(=O)c1ccccc1[N-]c1ncnc(Cl)c1[N+](=O)[O-]	ZINC000040571560	183104216	/nfs/dbraw/zinc/10/42/16/183104216.db2.gz	MIKSNLRCQRFWJS-UHFFFAOYSA-N	-1	1	322.708	2.959	10	5		DFBEMM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cccc(F)c3)n[nH]2)c1	ZINC000072237766	191081146	/nfs/dbraw/zinc/08/11/46/191081146.db2.gz	ISZCZMZSGNVATE-UHFFFAOYSA-N	-1	1	300.249	2.892	10	5		DFBEMM
Cc1ccnc(Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1	ZINC000040588313	183105625	/nfs/dbraw/zinc/10/56/25/183105625.db2.gz	QZVULRVILHMLSD-UHFFFAOYSA-N	-1	1	317.353	2.547	10	5		DFBEMM
CCN(c1cccc(C)c1)c1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040572350	183104588	/nfs/dbraw/zinc/10/45/88/183104588.db2.gz	GSCVSOAJPOYARU-UHFFFAOYSA-N	-1	1	316.365	2.740	10	5		DFBEMM
O=[N+]([O-])c1c(Nc2ccncc2)[n-]cnc1=NNc1ccccc1	ZINC000040586354	183106030	/nfs/dbraw/zinc/10/60/30/183106030.db2.gz	IQFHFMJELVIDHL-UHFFFAOYSA-N	-1	1	323.316	2.962	10	5		DFBEMM
CCN(CC)c1ncnc([N-]c2ccc(C)cn2)c1[N+](=O)[O-]	ZINC000040608194	183109097	/nfs/dbraw/zinc/10/90/97/183109097.db2.gz	IJMKOBRTQANIGO-UHFFFAOYSA-N	-1	1	302.338	2.678	10	5		DFBEMM
CCOC(=O)c1nc([N-]c2ccccc2[N+](=O)[O-])sc1C	ZINC000604941578	430552871	/nfs/dbraw/zinc/55/28/71/430552871.db2.gz	KCDSWSKTFOLEOE-UHFFFAOYSA-N	-1	1	307.331	3.280	10	5		DFBEMM
COc1cccc(-c2n[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])n2)c1	ZINC000072237750	191080620	/nfs/dbraw/zinc/08/06/20/191080620.db2.gz	VJDFEZZDOWNOKX-UHFFFAOYSA-N	-1	1	312.285	2.761	10	5		DFBEMM
O=c1[n-]cnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000040646453	183113759	/nfs/dbraw/zinc/11/37/59/183113759.db2.gz	WCKCVLKHJHCZHD-UHFFFAOYSA-N	-1	1	323.312	2.843	10	5		DFBEMM
COc1cccc(-c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)c1	ZINC000072237681	191080741	/nfs/dbraw/zinc/08/07/41/191080741.db2.gz	DZNOLSYOGYYXEY-UHFFFAOYSA-N	-1	1	312.285	2.761	10	5		DFBEMM
O=c1[n-]cnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040646733	183113194	/nfs/dbraw/zinc/11/31/94/183113194.db2.gz	IUXJRVQNKUHKLM-UHFFFAOYSA-N	-1	1	301.089	2.729	10	5		DFBEMM
Cc1cccc([N-]c2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])n1	ZINC000040584805	183106009	/nfs/dbraw/zinc/10/60/09/183106009.db2.gz	PONODNYROHEKKG-UHFFFAOYSA-N	-1	1	317.353	2.547	10	5		DFBEMM
Cc1cc(C)cc(Oc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])c1	ZINC000040582651	183105008	/nfs/dbraw/zinc/10/50/08/183105008.db2.gz	XALKTYGCVPOLSZ-UHFFFAOYSA-N	-1	1	303.322	2.682	10	5		DFBEMM
CN(c1ccccc1)c1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040625526	183111165	/nfs/dbraw/zinc/11/11/65/183111165.db2.gz	XBXVIUVIACJDAV-UHFFFAOYSA-N	-1	1	316.365	2.868	10	5		DFBEMM
CCc1ccc(Oc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040629018	183110435	/nfs/dbraw/zinc/11/04/35/183110435.db2.gz	BZWWTJJAQTVWLP-UHFFFAOYSA-N	-1	1	303.322	2.628	10	5		DFBEMM
CCCCOc1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000040620116	183109442	/nfs/dbraw/zinc/10/94/42/183109442.db2.gz	PZZRVPUTWYQZEW-UHFFFAOYSA-N	-1	1	304.306	2.601	10	5		DFBEMM
Cc1cccnc1Nc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040625960	183110814	/nfs/dbraw/zinc/11/08/14/183110814.db2.gz	ZPFDFNMHKKIBFM-UHFFFAOYSA-N	-1	1	317.353	2.547	10	5		DFBEMM
O=c1[n-]cnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000040650625	183114306	/nfs/dbraw/zinc/11/43/06/183114306.db2.gz	WMNDWBCVKXNTLN-UHFFFAOYSA-N	-1	1	322.324	2.880	10	5		DFBEMM
Cc1cc([N-]c2ncnc(Nc3ccncc3)c2[N+](=O)[O-])no1	ZINC000040581979	183105344	/nfs/dbraw/zinc/10/53/44/183105344.db2.gz	KLARMRBOMSGWMB-UHFFFAOYSA-N	-1	1	313.277	2.563	10	5		DFBEMM