smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101012667	204001404	/nfs/dbraw/zinc/00/14/04/204001404.db2.gz	SCFRDJVEDKXJOP-SCZZXKLOSA-N	-1	0	347.243	-0.021	50	5		EBBARM
C[C@@H]1O[C@H](Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000239347379	379104241	/nfs/dbraw/zinc/10/42/41/379104241.db2.gz	MUMVSFLQZQEXFZ-WUXCAISBSA-N	-1	0	328.277	-0.468	50	5		EBBARM
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000008426082	418949561	/nfs/dbraw/zinc/94/95/61/418949561.db2.gz	QZOXTAZLLLZYAE-NEPJUHHUSA-N	-1	0	329.265	-0.689	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054431	381710892	/nfs/dbraw/zinc/71/08/92/381710892.db2.gz	ZGYPEQGKDCSRDU-UWVGGRQHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510430	376042930	/nfs/dbraw/zinc/04/29/30/376042930.db2.gz	UZVJOFBDWHHNLZ-UWVGGRQHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000245256804	297647761	/nfs/dbraw/zinc/64/77/61/297647761.db2.gz	TVDZYIHYFGVFAA-HASKGGTLSA-N	-1	0	328.277	-0.468	50	5		EBBARM
O=C([O-])CCN1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000003626532	304053514	/nfs/dbraw/zinc/05/35/14/304053514.db2.gz	JTAPXUXKTORBBV-OLZOCXBDSA-N	-1	0	345.308	-0.506	50	5		EBBARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009328166	211069361	/nfs/dbraw/zinc/06/93/61/211069361.db2.gz	SCFRDJVEDKXJOP-WCBMZHEXSA-N	-1	0	347.243	-0.021	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000018006944	379191127	/nfs/dbraw/zinc/19/11/27/379191127.db2.gz	ZGYPEQGKDCSRDU-ZJUUUORDSA-N	-1	0	332.272	-0.025	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000009304228	211064074	/nfs/dbraw/zinc/06/40/74/211064074.db2.gz	SOOULXXOYSGMCC-VHSXEESVSA-N	-1	0	348.271	-0.406	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510434	219101208	/nfs/dbraw/zinc/10/12/08/219101208.db2.gz	UZVJOFBDWHHNLZ-NXEZZACHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@H]1O	ZINC000245256806	243104942	/nfs/dbraw/zinc/10/49/42/243104942.db2.gz	TVDZYIHYFGVFAA-RYIKZVKKSA-N	-1	0	328.277	-0.468	50	5		EBBARM
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000013637320	376147571	/nfs/dbraw/zinc/14/75/71/376147571.db2.gz	XPFRJQWJILNOMC-UHFFFAOYSA-N	-1	0	346.303	-0.671	50	5		EBBARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009328167	211069911	/nfs/dbraw/zinc/06/99/11/211069911.db2.gz	SCFRDJVEDKXJOP-WPRPVWTQSA-N	-1	0	347.243	-0.021	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568129	219101827	/nfs/dbraw/zinc/10/18/27/219101827.db2.gz	AVLIIDGTGZSEEU-UWVGGRQHSA-N	-1	0	332.272	-0.107	50	5		EBBARM
NC(=O)C[C@@H](C(=O)[O-])N1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000008424894	303255515	/nfs/dbraw/zinc/25/55/15/303255515.db2.gz	ZRIXWRFYEQZBJA-AXTRIDKLSA-N	-1	0	328.281	-0.988	50	5		EBBARM
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002186370	420759812	/nfs/dbraw/zinc/75/98/12/420759812.db2.gz	QZOXTAZLLLZYAE-NWDGAFQWSA-N	-1	0	329.265	-0.689	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000004104531	210120480	/nfs/dbraw/zinc/12/04/80/210120480.db2.gz	AVLIIDGTGZSEEU-VHSXEESVSA-N	-1	0	332.272	-0.107	50	5		EBBARM
COCCNC(=S)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016218440	211889336	/nfs/dbraw/zinc/88/93/36/211889336.db2.gz	HRCOPPVZOAJYQK-UHFFFAOYSA-N	-1	0	334.379	-0.101	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000100166100	219093422	/nfs/dbraw/zinc/09/34/22/219093422.db2.gz	SOOULXXOYSGMCC-NXEZZACHSA-N	-1	0	348.271	-0.406	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004380167	210183606	/nfs/dbraw/zinc/18/36/06/210183606.db2.gz	QGIWAOBNUUUYCC-ZJUUUORDSA-N	-1	0	332.272	-0.025	50	5		EBBARM
O=C([O-])CNS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000003887563	304069921	/nfs/dbraw/zinc/06/99/21/304069921.db2.gz	QUUHIZOJKWVOKD-UHFFFAOYSA-N	-1	0	345.333	-0.206	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054430	219090094	/nfs/dbraw/zinc/09/00/94/219090094.db2.gz	ZGYPEQGKDCSRDU-VHSXEESVSA-N	-1	0	332.272	-0.025	50	5		EBBARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998534	219113837	/nfs/dbraw/zinc/11/38/37/219113837.db2.gz	OGCALFNBWPKJQV-SCZZXKLOSA-N	-1	0	347.243	-0.021	50	5		EBBARM
C[C@@H]1O[C@H](Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000101632637	381609899	/nfs/dbraw/zinc/60/98/99/381609899.db2.gz	MUMVSFLQZQEXFZ-ALROSTPSSA-N	-1	0	328.277	-0.468	50	5		EBBARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000245256808	297647767	/nfs/dbraw/zinc/64/77/67/297647767.db2.gz	TVDZYIHYFGVFAA-WUXCAISBSA-N	-1	0	328.277	-0.468	50	5		EBBARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998541	219113658	/nfs/dbraw/zinc/11/36/58/219113658.db2.gz	OGCALFNBWPKJQV-WCBMZHEXSA-N	-1	0	347.243	-0.021	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004380166	210182862	/nfs/dbraw/zinc/18/28/62/210182862.db2.gz	QGIWAOBNUUUYCC-UWVGGRQHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054433	219090236	/nfs/dbraw/zinc/09/02/36/219090236.db2.gz	ZGYPEQGKDCSRDU-NXEZZACHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000009357349	211074517	/nfs/dbraw/zinc/07/45/17/211074517.db2.gz	SOOULXXOYSGMCC-ZJUUUORDSA-N	-1	0	348.271	-0.406	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100048934	219089111	/nfs/dbraw/zinc/08/91/11/219089111.db2.gz	QGIWAOBNUUUYCC-VHSXEESVSA-N	-1	0	332.272	-0.025	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000004610899	210232006	/nfs/dbraw/zinc/23/20/06/210232006.db2.gz	UZVJOFBDWHHNLZ-ZJUUUORDSA-N	-1	0	332.272	-0.025	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510427	219101547	/nfs/dbraw/zinc/10/15/47/219101547.db2.gz	UZVJOFBDWHHNLZ-VHSXEESVSA-N	-1	0	332.272	-0.025	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568128	219101777	/nfs/dbraw/zinc/10/17/77/219101777.db2.gz	AVLIIDGTGZSEEU-ZJUUUORDSA-N	-1	0	332.272	-0.107	50	5		EBBARM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(=O)[nH]1	ZINC000010220798	211154159	/nfs/dbraw/zinc/15/41/59/211154159.db2.gz	RMTUHSUWFYOMIK-UHFFFAOYSA-N	-1	0	330.253	-0.089	50	5		EBBARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000100166097	219092986	/nfs/dbraw/zinc/09/29/86/219092986.db2.gz	SOOULXXOYSGMCC-UWVGGRQHSA-N	-1	0	348.271	-0.406	50	5		EBBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100048938	219089194	/nfs/dbraw/zinc/08/91/94/219089194.db2.gz	QGIWAOBNUUUYCC-NXEZZACHSA-N	-1	0	332.272	-0.025	50	5		EBBARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998528	219113804	/nfs/dbraw/zinc/11/38/04/219113804.db2.gz	OGCALFNBWPKJQV-PSASIEDQSA-N	-1	0	347.243	-0.021	50	5		EBBARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000245256803	243104201	/nfs/dbraw/zinc/10/42/01/243104201.db2.gz	TVDZYIHYFGVFAA-ALROSTPSSA-N	-1	0	328.277	-0.468	50	5		EBBARM
C[C@@H]1O[C@H](Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000239347378	379102593	/nfs/dbraw/zinc/10/25/93/379102593.db2.gz	MUMVSFLQZQEXFZ-HASKGGTLSA-N	-1	0	328.277	-0.468	50	5		EBBARM