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-])c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1Br	ZINC000004877260	304812676	/nfs/dbraw/zinc/81/26/76/304812676.db2.gz	AGAWDJDKUVWDJI-MXSWDONDSA-N	0	0	324.087	-0.835	40	5		DBBBRN
O=[N+]([O-])c1ccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000012374665	534882795	/nfs/dbraw/zinc/88/27/95/534882795.db2.gz	IXFOBQXJWRLXMD-VSSNEEPJSA-N	0	0	317.319	-0.513	40	5		DBBBRN
CCOc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003878459	181051307	/nfs/dbraw/zinc/05/13/07/181051307.db2.gz	MPDNUJOEJNZQAA-RNJOBUHISA-N	0	0	314.294	-0.156	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004255713	181088839	/nfs/dbraw/zinc/08/88/39/181088839.db2.gz	WVPFNBBQRHGUHM-CKIKVBCHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Nc1nonc1-n1nc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])[n+]1[O-]	ZINC000136020303	375052696	/nfs/dbraw/zinc/05/26/96/375052696.db2.gz	AKWZYGZZNLGUBZ-UHFFFAOYSA-N	0	0	308.170	-0.560	40	5		DBBBRN
Cn1cc(NC(=O)CCn2ccc([N+](=O)[O-])n2)c(C(N)=O)n1	ZINC000002776901	382633883	/nfs/dbraw/zinc/63/38/83/382633883.db2.gz	DGEVHLXPTKEORW-UHFFFAOYSA-N	0	0	307.270	-0.348	40	5		DBBBRN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000245377164	256606816	/nfs/dbraw/zinc/60/68/16/256606816.db2.gz	IESVLKJOAWTJGB-NZEXEKPDSA-N	0	0	314.294	-0.885	40	5		DBBBRN
CCOc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003878458	181051514	/nfs/dbraw/zinc/05/15/14/181051514.db2.gz	MPDNUJOEJNZQAA-UMSGYPCISA-N	0	0	314.294	-0.156	40	5		DBBBRN
O=[N+]([O-])c1ccccc1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004100747	181073267	/nfs/dbraw/zinc/07/32/67/181073267.db2.gz	SZAOZNVCHHBUDZ-DVYMNCLGSA-N	0	0	317.319	-0.513	40	5		DBBBRN
O=[N+]([O-])c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1Br	ZINC000004877256	181166940	/nfs/dbraw/zinc/16/69/40/181166940.db2.gz	AGAWDJDKUVWDJI-PQCXHMBBSA-N	0	0	324.087	-0.835	40	5		DBBBRN
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@@H](C)O	ZINC000004982973	181183406	/nfs/dbraw/zinc/18/34/06/181183406.db2.gz	DNAWGBOKUFFVMB-YVQVJGCRSA-N	0	0	315.366	-0.315	40	5		DBBBRN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000017044325	182070558	/nfs/dbraw/zinc/07/05/58/182070558.db2.gz	IXFOBQXJWRLXMD-GCHJQGSQSA-N	0	0	317.319	-0.513	40	5	in-vitro	DBBBRN
NNC(=S)NNc1c(=O)n(-c2ccccc2)ncc1[N+](=O)[O-]	ZINC000025574017	377265433	/nfs/dbraw/zinc/26/54/33/377265433.db2.gz	ARVJRASAMZQLQS-UHFFFAOYSA-N	0	0	321.322	-0.195	40	5		DBBBRN
O=C(NCC[NH2+]CCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000001555440	378639888	/nfs/dbraw/zinc/63/98/88/378639888.db2.gz	QDMAJKMGVSIULD-UHFFFAOYSA-N	0	0	314.254	-0.480	40	5		DBBBRN
CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+]12CCN(CC1)CC2	ZINC000006143660	392662281	/nfs/dbraw/zinc/66/22/81/392662281.db2.gz	NMMZQVLRYLZHMN-UHFFFAOYSA-O	0	0	320.435	-0.695	40	5		DBBBRN
CCOc1ccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003898650	181054223	/nfs/dbraw/zinc/05/42/23/181054223.db2.gz	AMZORTHDRNMFTE-NDBYEHHHSA-N	0	0	314.294	-0.156	40	5		DBBBRN
O=[N+]([O-])c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1Br	ZINC000004877258	181167064	/nfs/dbraw/zinc/16/70/64/181167064.db2.gz	AGAWDJDKUVWDJI-WVBYAZCYSA-N	0	0	324.087	-0.835	40	5		DBBBRN
Nc1ccc(NC(=O)C[C@@H]([NH2+]CCO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000065090392	184310477	/nfs/dbraw/zinc/31/04/77/184310477.db2.gz	ADIQKXFBWPAPCU-SECBINFHSA-N	0	0	312.282	-0.459	40	5		DBBBRN
Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003897424	181054331	/nfs/dbraw/zinc/05/43/31/181054331.db2.gz	ZRDULDSITSDCQB-QWQWKMKNSA-N	0	0	314.294	-0.885	40	5		DBBBRN
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	ZINC000004982975	181183758	/nfs/dbraw/zinc/18/37/58/181183758.db2.gz	DNAWGBOKUFFVMB-ANYFDBNWSA-N	0	0	315.366	-0.315	40	5		DBBBRN
Cc1ccc(NC(=O)C(O)=C2NC(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000102987055	374898036	/nfs/dbraw/zinc/89/80/36/374898036.db2.gz	PXMHQJUCBBESNA-QMMMGPOBSA-N	0	0	322.302	-0.216	40	5		DBBBRN
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@H](C)O	ZINC000004982977	181183695	/nfs/dbraw/zinc/18/36/95/181183695.db2.gz	DNAWGBOKUFFVMB-CTIKTNRJSA-N	0	0	315.366	-0.315	40	5		DBBBRN
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000055161909	379699418	/nfs/dbraw/zinc/69/94/18/379699418.db2.gz	VOTPLFCPIRIALF-ZETCQYMHSA-O	0	0	300.291	-0.818	40	5		DBBBRN
CC(C)(C)OC(=O)N[C@@H](CC[C@@H](NC(N)=[NH2+])[N+](=O)[O-])C(=O)[O-]	ZINC000064219694	184292723	/nfs/dbraw/zinc/29/27/23/184292723.db2.gz	RGUUQPKPCAHONT-BQBZGAKWSA-N	0	0	319.318	-0.170	40	5		DBBBRN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000245377163	392163523	/nfs/dbraw/zinc/16/35/23/392163523.db2.gz	IESVLKJOAWTJGB-KSSYENDESA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004255709	181088694	/nfs/dbraw/zinc/08/86/94/181088694.db2.gz	WVPFNBBQRHGUHM-ZOLYEBIHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O	ZINC000004358913	181102075	/nfs/dbraw/zinc/10/20/75/181102075.db2.gz	VCSKAKIULNIBRN-RXGFPQBGSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000004600911	181128969	/nfs/dbraw/zinc/12/89/69/181128969.db2.gz	IESVLKJOAWTJGB-ZOLYEBIHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000045201922	379699242	/nfs/dbraw/zinc/69/92/42/379699242.db2.gz	VOTPLFCPIRIALF-SSDOTTSWSA-O	0	0	300.291	-0.818	40	5		DBBBRN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000245377165	392163525	/nfs/dbraw/zinc/16/35/25/392163525.db2.gz	IESVLKJOAWTJGB-QNWJLWSRSA-N	0	0	314.294	-0.885	40	5		DBBBRN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000012374667	418952287	/nfs/dbraw/zinc/95/22/87/418952287.db2.gz	IXFOBQXJWRLXMD-KNZXXDILSA-N	0	0	317.319	-0.513	40	5		DBBBRN
CCOc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003878460	181051683	/nfs/dbraw/zinc/05/16/83/181051683.db2.gz	MPDNUJOEJNZQAA-QNWHQSFQSA-N	0	0	314.294	-0.156	40	5		DBBBRN
Nc1ccc(NC(=O)C[C@H]([NH2+]CCO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000065090391	184310434	/nfs/dbraw/zinc/31/04/34/184310434.db2.gz	ADIQKXFBWPAPCU-VIFPVBQESA-N	0	0	312.282	-0.459	40	5		DBBBRN
CC(=O)OC(OC(C)=O)[C@]1(OC(C)=O)C=C[C@H]([N+](=O)[O-])O1	ZINC000005161091	278217827	/nfs/dbraw/zinc/21/78/27/278217827.db2.gz	OQQARHHKPBGAGA-KOLCDFICSA-N	0	0	303.223	-0.113	40	5	in-vitro	DBBBRN
Cc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000004600910	181128989	/nfs/dbraw/zinc/12/89/89/181128989.db2.gz	IESVLKJOAWTJGB-CLPYTZEMSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Nc1nnc(N)n1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016957915	182066311	/nfs/dbraw/zinc/06/63/11/182066311.db2.gz	XPVWWKWSWSNNOB-UHFFFAOYSA-N	0	0	306.242	-0.941	40	5		DBBBRN
Cc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000004600914	181128879	/nfs/dbraw/zinc/12/88/79/181128879.db2.gz	IESVLKJOAWTJGB-CKIKVBCHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
CC(=O)N[C@@H](CSC(=O)C(C)(C)CC[N+](=O)[O-])C(N)=O	ZINC000068605184	382557946	/nfs/dbraw/zinc/55/79/46/382557946.db2.gz	PCNBTXIBPMNRDF-QMMMGPOBSA-N	0	0	305.356	-0.071	40	5		DBBBRN
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)[C@@H](C)O	ZINC000004982974	181183634	/nfs/dbraw/zinc/18/36/34/181183634.db2.gz	DNAWGBOKUFFVMB-PGVWKBKJSA-N	0	0	315.366	-0.315	40	5		DBBBRN
Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-]	ZINC000005158994	181212212	/nfs/dbraw/zinc/21/22/12/181212212.db2.gz	PYHQXJQDBWCLLU-UHFFFAOYSA-N	0	0	305.312	-0.848	40	5		DBBBRN
O=[N+]([O-])c1ccccc1S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004820557	280375594	/nfs/dbraw/zinc/37/55/94/280375594.db2.gz	SZAOZNVCHHBUDZ-FRNCOOQWSA-N	0	0	317.319	-0.513	40	5	in-vitro	DBBBRN
Cc1nn2c(c1[N+](=O)[O-])c(=O)n1nc(C)c([N+](=O)[O-])c1c2=O	ZINC000001582535	282306751	/nfs/dbraw/zinc/30/67/51/282306751.db2.gz	VYJSXMMKHYSDFQ-UHFFFAOYSA-N	0	0	306.194	-0.427	40	5		DBBBRN
CCOc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003878457	181051688	/nfs/dbraw/zinc/05/16/88/181051688.db2.gz	MPDNUJOEJNZQAA-LOWDOPEQSA-N	0	0	314.294	-0.156	40	5		DBBBRN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004820559	181156706	/nfs/dbraw/zinc/15/67/06/181156706.db2.gz	SZAOZNVCHHBUDZ-AJTCFPGGSA-N	0	0	317.319	-0.513	40	5		DBBBRN
Cc1ccc(NC(=O)C(O)=C2NC(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000102987053	374897383	/nfs/dbraw/zinc/89/73/83/374897383.db2.gz	PXMHQJUCBBESNA-MRVPVSSYSA-N	0	0	322.302	-0.216	40	5		DBBBRN
O=c1c2cc3c(ccn(-c4nc[nH]n4)c3=O)nc2ccn1CCO	ZINC000040372868	183056915	/nfs/dbraw/zinc/05/69/15/183056915.db2.gz	PVORKVWTMQBRQE-UHFFFAOYSA-N	0	0	324.300	-0.189	40	5		DBBBRN
Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003897422	181054428	/nfs/dbraw/zinc/05/44/28/181054428.db2.gz	ZRDULDSITSDCQB-CLPYTZEMSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004255707	181088710	/nfs/dbraw/zinc/08/87/10/181088710.db2.gz	WVPFNBBQRHGUHM-CLPYTZEMSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000004600912	181128633	/nfs/dbraw/zinc/12/86/33/181128633.db2.gz	IESVLKJOAWTJGB-QWQWKMKNSA-N	0	0	314.294	-0.885	40	5		DBBBRN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004820558	181156575	/nfs/dbraw/zinc/15/65/75/181156575.db2.gz	SZAOZNVCHHBUDZ-ZOUWBMGKSA-N	0	0	317.319	-0.513	40	5		DBBBRN
O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])-n1nnnc1-c1nnnn1-2	ZINC000408722171	285098400	/nfs/dbraw/zinc/09/84/00/285098400.db2.gz	QCVRLZXESOREAK-UHFFFAOYSA-N	0	0	302.170	-0.565	40	5		DBBBRN
CC(C)(C)OC(=O)N[C@H](CC[C@@H](NC(N)=[NH2+])[N+](=O)[O-])C(=O)[O-]	ZINC000064219696	278442240	/nfs/dbraw/zinc/44/22/40/278442240.db2.gz	RGUUQPKPCAHONT-RQJHMYQMSA-N	0	0	319.318	-0.170	40	5		DBBBRN
CCOc1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003898649	181054230	/nfs/dbraw/zinc/05/42/30/181054230.db2.gz	AMZORTHDRNMFTE-FDYHWXHSSA-N	0	0	314.294	-0.156	40	5		DBBBRN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003897423	181054478	/nfs/dbraw/zinc/05/44/78/181054478.db2.gz	ZRDULDSITSDCQB-ZOLYEBIHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004255712	181088788	/nfs/dbraw/zinc/08/87/88/181088788.db2.gz	WVPFNBBQRHGUHM-QWQWKMKNSA-N	0	0	314.294	-0.885	40	5		DBBBRN
O=[N+]([O-])c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1Br	ZINC000004877252	181167167	/nfs/dbraw/zinc/16/71/67/181167167.db2.gz	AGAWDJDKUVWDJI-MZEQXDKDSA-N	0	0	324.087	-0.835	40	5		DBBBRN
O=[N+]([O-])c1ccccc1S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000002554951	374827450	/nfs/dbraw/zinc/82/74/50/374827450.db2.gz	SZAOZNVCHHBUDZ-VSYPEIIYSA-N	0	0	317.319	-0.513	40	5	in-vitro	DBBBRN
O=[N+]([O-])c1ccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000002575515	534882939	/nfs/dbraw/zinc/88/29/39/534882939.db2.gz	IXFOBQXJWRLXMD-MTVMDMGHSA-N	0	0	317.319	-0.513	40	5		DBBBRN
CCOc1ccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003898648	181054037	/nfs/dbraw/zinc/05/40/37/181054037.db2.gz	AMZORTHDRNMFTE-LPWJVIDDSA-N	0	0	314.294	-0.156	40	5		DBBBRN
CCOc1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003898651	181054090	/nfs/dbraw/zinc/05/40/90/181054090.db2.gz	AMZORTHDRNMFTE-FVCCEPFGSA-N	0	0	314.294	-0.156	40	5		DBBBRN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003897425	181054182	/nfs/dbraw/zinc/05/41/82/181054182.db2.gz	ZRDULDSITSDCQB-CKIKVBCHSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O	ZINC000004358910	181101779	/nfs/dbraw/zinc/10/17/79/181101779.db2.gz	VCSKAKIULNIBRN-FHUSYTEZSA-N	0	0	314.294	-0.885	40	5		DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	ZINC000004358919	181101919	/nfs/dbraw/zinc/10/19/19/181101919.db2.gz	VCSKAKIULNIBRN-QNWJLWSRSA-N	0	0	314.294	-0.885	40	5		DBBBRN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000012374666	418952083	/nfs/dbraw/zinc/95/20/83/418952083.db2.gz	IXFOBQXJWRLXMD-KQSJRHEJSA-N	0	0	317.319	-0.513	40	5		DBBBRN
CC(=O)OC(OC(C)=O)[C@]1(OC(C)=O)C=C[C@@H]([N+](=O)[O-])O1	ZINC000005161093	278217806	/nfs/dbraw/zinc/21/78/06/278217806.db2.gz	OQQARHHKPBGAGA-ONGXEEELSA-N	0	0	303.223	-0.113	40	5	in-vitro	DBBBRN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	ZINC000004358916	181101948	/nfs/dbraw/zinc/10/19/48/181101948.db2.gz	VCSKAKIULNIBRN-MOLYVOAJSA-N	0	0	314.294	-0.885	40	5		DBBBRN
CC(=O)OC(OC(C)=O)[C@@]1(OC(C)=O)C=C[C@H]([N+](=O)[O-])O1	ZINC000005161100	181211985	/nfs/dbraw/zinc/21/19/85/181211985.db2.gz	OQQARHHKPBGAGA-MWLCHTKSSA-N	0	0	303.223	-0.113	40	5	in-vitro	DBBBRN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000245377166	392163500	/nfs/dbraw/zinc/16/35/00/392163500.db2.gz	IESVLKJOAWTJGB-RXGFPQBGSA-N	0	0	314.294	-0.885	40	5		DBBBRN
CC(=O)OC(OC(C)=O)[C@@]1(OC(C)=O)C=C[C@@H]([N+](=O)[O-])O1	ZINC000005161103	278217849	/nfs/dbraw/zinc/21/78/49/278217849.db2.gz	OQQARHHKPBGAGA-GXSJLCMTSA-N	0	0	303.223	-0.113	40	5	in-vitro	DBBBRN