smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(c1cccc(C)c1)c1ncnc([N-]c2cccnc2)c1[N+](=O)[O-]	ZINC000040572348	205073130	/nfs/dbraw/zinc/07/31/30/205073130.db2.gz	MAQCVMDBKBJVPZ-UHFFFAOYSA-N	-1	3	350.382	3.990	10	5		FHBEHM
COc1ccc(Cl)cc1Nc1ncnc([N-]c2cccnc2)c1[N+](=O)[O-]	ZINC000040589596	205073159	/nfs/dbraw/zinc/07/31/59/205073159.db2.gz	OENLYSBGZGFHKM-UHFFFAOYSA-N	-1	3	372.772	3.929	10	5		FHBEHM
O=[N+]([O-])c1cccc([N-]c2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])c1	ZINC000040648825	205076291	/nfs/dbraw/zinc/07/62/91/205076291.db2.gz	ZRKICNBBUSUFLO-UHFFFAOYSA-N	-1	3	370.300	3.919	10	5		FHBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1	ZINC000108404246	206031042	/nfs/dbraw/zinc/03/10/42/206031042.db2.gz	CTQNZFUFVGUDDO-NSHDSACASA-N	-1	3	354.815	3.596	10	5		FHBEHM
Cc1ccc(Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1Cl	ZINC000040591094	205074278	/nfs/dbraw/zinc/07/42/78/205074278.db2.gz	HCKXNIAKAJHONJ-UHFFFAOYSA-N	-1	3	350.810	3.805	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccc(Cl)cn2)ncnc1NNc1ccccc1	ZINC000040624438	205075103	/nfs/dbraw/zinc/07/51/03/205075103.db2.gz	WWCVUVSRPVAXLS-UHFFFAOYSA-N	-1	3	357.761	3.616	10	5		FHBEHM
Cc1c(Cl)ccc2c([O-])c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cnc12	ZINC000040359313	205066722	/nfs/dbraw/zinc/06/67/22/205066722.db2.gz	VEMAFUADFPKGSR-UHFFFAOYSA-N	-1	3	357.753	3.650	10	5		FHBEHM
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000041627292	205092092	/nfs/dbraw/zinc/09/20/92/205092092.db2.gz	KRJQSQGPDPDFMV-CQSZACIVSA-N	-1	3	354.453	3.722	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccccc2C(F)(F)F)ncnc1N1CCCC1	ZINC000040588622	205072835	/nfs/dbraw/zinc/07/28/35/205072835.db2.gz	UMOHLJHHSRCMLH-UHFFFAOYSA-N	-1	3	353.304	3.747	10	5		FHBEHM
CCN(CC)c1ncnc([N-]c2cccc3ccc(C)nc32)c1[N+](=O)[O-]	ZINC000040607995	205074047	/nfs/dbraw/zinc/07/40/47/205074047.db2.gz	LCKKRBFIAIZFDA-UHFFFAOYSA-N	-1	3	352.398	3.831	10	5		FHBEHM
CC(C)(C)NN=c1nc[n-]c(Nc2cccc3ccccc32)c1[N+](=O)[O-]	ZINC000040627275	205075076	/nfs/dbraw/zinc/07/50/76/205075076.db2.gz	LZPYMNVKHBZMIH-UHFFFAOYSA-N	-1	3	352.398	3.997	10	5		FHBEHM
Cc1ccc2c(cccc2Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])n1	ZINC000040659945	205075948	/nfs/dbraw/zinc/07/59/48/205075948.db2.gz	JTZUMGZVMRQKPR-UHFFFAOYSA-N	-1	3	367.413	3.700	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2cccc(Cl)c2Cl)ncnc1-n1ccnc1	ZINC000040646789	205074907	/nfs/dbraw/zinc/07/49/07/205074907.db2.gz	REKQBVYFNBTVBV-UHFFFAOYSA-N	-1	3	351.153	3.621	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccccc2Cl)ncnc1-n1nnc2ccccc21	ZINC000040648233	205075436	/nfs/dbraw/zinc/07/54/36/205075436.db2.gz	MLKLLVIWNYGJAG-UHFFFAOYSA-N	-1	3	367.756	3.516	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccncc2)ncnc1Oc1cccc2cccnc21	ZINC000040586337	205072901	/nfs/dbraw/zinc/07/29/01/205072901.db2.gz	VHIUWDYXRLERPV-UHFFFAOYSA-N	-1	3	360.333	3.864	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccc(Cl)cc2Cl)ncnc1-n1ccnc1	ZINC000040650286	205075744	/nfs/dbraw/zinc/07/57/44/205075744.db2.gz	MPSHIVXHVACZTN-UHFFFAOYSA-N	-1	3	351.153	3.621	10	5		FHBEHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1F	ZINC000226862864	209368748	/nfs/dbraw/zinc/36/87/48/209368748.db2.gz	CYWZBJUFDJYOMP-UHFFFAOYSA-N	-1	3	365.169	3.842	10	5		FHBEHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2c(Cl)cccc2c1[O-]	ZINC000032605787	208033766	/nfs/dbraw/zinc/03/37/66/208033766.db2.gz	LILZSZKSRAZZSN-UHFFFAOYSA-N	-1	3	357.753	3.650	10	5		FHBEHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2ccc(Cl)cc2c1[O-]	ZINC000032604993	208033334	/nfs/dbraw/zinc/03/33/34/208033334.db2.gz	MWLPIIDNRFBQAT-UHFFFAOYSA-N	-1	3	357.753	3.650	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1N1CCc2ccccc21	ZINC000040586125	208256589	/nfs/dbraw/zinc/25/65/89/208256589.db2.gz	WIWHSTZIBGRWQL-UHFFFAOYSA-N	-1	3	351.341	3.962	10	5		FHBEHM
Cc1ccc(CNc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624529	208258886	/nfs/dbraw/zinc/25/88/86/208258886.db2.gz	RMMBNIFAYDKJFC-UHFFFAOYSA-N	-1	3	350.382	3.744	10	5		FHBEHM
CC(C)Oc1ncnc([N-]c2ccccc2Br)c1[N+](=O)[O-]	ZINC000040648290	208261207	/nfs/dbraw/zinc/26/12/07/208261207.db2.gz	XLEJJTQKNCJSRP-UHFFFAOYSA-N	-1	3	353.176	3.678	10	5		FHBEHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2c(C)c(Cl)ccc2c1[O-]	ZINC000040359406	208249026	/nfs/dbraw/zinc/24/90/26/208249026.db2.gz	YFKRIIXXZDYYAY-UHFFFAOYSA-N	-1	3	371.780	3.959	10	5		FHBEHM
Cc1ccc(Cl)cc1Nc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040592917	208259453	/nfs/dbraw/zinc/25/94/53/208259453.db2.gz	WQEFGLDAHRDLNJ-UHFFFAOYSA-N	-1	3	350.810	3.805	10	5		FHBEHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000041056039	208281074	/nfs/dbraw/zinc/28/10/74/208281074.db2.gz	WKYXENZMEBUFIV-UHFFFAOYSA-N	-1	3	357.753	3.650	10	5		FHBEHM
Cc1sc2[n-]c([C@@H](C)Oc3cc(F)ccc3[N+](=O)[O-])nc(=O)c2c1C	ZINC000006972371	207181097	/nfs/dbraw/zinc/18/10/97/207181097.db2.gz	HSTJUTFQDCQFRC-MRVPVSSYSA-N	-1	3	363.370	3.789	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2cccnc2)ncnc1NC12CC3CC(CC(C3)C1)C2	ZINC000040621463	208259487	/nfs/dbraw/zinc/25/94/87/208259487.db2.gz	SUCZCAMNFMHDLC-UHFFFAOYSA-N	-1	3	366.425	3.904	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2cccc3cccnc32)ncnc1Nc1cccnc1	ZINC000040626156	208259710	/nfs/dbraw/zinc/25/97/10/208259710.db2.gz	QLOGOYYXBGSELN-UHFFFAOYSA-N	-1	3	359.349	3.815	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1-n1cnc2ccccc21	ZINC000040627879	208261748	/nfs/dbraw/zinc/26/17/48/208261748.db2.gz	NPJYFYZCTKCHHY-UHFFFAOYSA-N	-1	3	350.313	3.606	10	5		FHBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1ccc2c(c1)OCO2	ZINC000040584195	208257291	/nfs/dbraw/zinc/25/72/91/208257291.db2.gz	POMYEQKVOKEBCE-UHFFFAOYSA-N	-1	3	369.312	3.740	10	5		FHBEHM
COc1ccc(Nc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624495	208258315	/nfs/dbraw/zinc/25/83/15/208258315.db2.gz	ONOCLCIVASWVMJ-UHFFFAOYSA-N	-1	3	352.354	3.576	10	5		FHBEHM
CC(C)(C)NN=c1nc[n-]c(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588876	208258272	/nfs/dbraw/zinc/25/82/72/208258272.db2.gz	BJGYHQRVBIIVOH-UHFFFAOYSA-N	-1	3	370.335	3.862	10	5		FHBEHM
Cc1c(Cl)cccc1Nc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040588538	208259729	/nfs/dbraw/zinc/25/97/29/208259729.db2.gz	AYBCQVRIOLAOCL-UHFFFAOYSA-N	-1	3	350.810	3.805	10	5		FHBEHM
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc([O-])cc1	ZINC000059522182	221126316	/nfs/dbraw/zinc/12/63/16/221126316.db2.gz	DFWMUTBOWKBDLP-UHFFFAOYSA-N	-1	3	359.341	3.667	10	5		FHBEHM
Cc1cc(Cl)ccc1Nc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040590656	220912068	/nfs/dbraw/zinc/91/20/68/220912068.db2.gz	MHVISBTWPONZMH-UHFFFAOYSA-N	-1	3	350.810	3.805	10	5		FHBEHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1	ZINC000016087206	220177688	/nfs/dbraw/zinc/17/76/88/220177688.db2.gz	PMKNLQPWOVWYHW-ZDUSSCGKSA-N	-1	3	356.403	3.788	10	5		FHBEHM