smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@H]2SC1	ZINC000035678345	570412644	/nfs/dbraw/zinc/41/26/44/570412644.db2.gz	QEHHUFJINZLAJE-MRCLBUSBSA-N	-1	0	395.397	0.186	50	5		GCBARM
COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000022016664	1184753108	/nfs/dbraw/zinc/75/31/08/1184753108.db2.gz	QNMVCGMLTQNMEP-UHFFFAOYSA-N	-1	0	383.346	0.575	50	5		GCBARM
CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101456356	570824134	/nfs/dbraw/zinc/82/41/34/570824134.db2.gz	WMZMCLXVCYKTPK-ZDUSSCGKSA-N	-1	0	387.352	0.395	50	5		GCBARM
COc1ccc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1[N+](=O)[O-]	ZINC000170610517	570866936	/nfs/dbraw/zinc/86/69/36/570866936.db2.gz	OVRKHRVNGGNNPL-UHFFFAOYSA-N	-1	0	392.353	0.673	50	5		GCBARM
Cc1nn(C)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c1[N+](=O)[O-]	ZINC000002783724	209385286	/nfs/dbraw/zinc/38/52/86/209385286.db2.gz	QIVGICWXAQZMJD-FUXBKTLASA-N	-1	0	381.370	0.009	50	5		GCBARM
O=C([O-])CSCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1	ZINC000002764957	203961116	/nfs/dbraw/zinc/96/11/16/203961116.db2.gz	DNLJOZRXEADLHG-SNVBAGLBSA-N	-1	0	376.412	0.796	50	5		GCBARM
COc1cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1[O-]	ZINC000020851451	210362481	/nfs/dbraw/zinc/36/24/81/210362481.db2.gz	JRLJQUOEOXGODF-MRVPVSSYSA-N	-1	0	376.325	0.181	50	5		GCBARM
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)n1	ZINC000002739649	1199935304	/nfs/dbraw/zinc/93/53/04/1199935304.db2.gz	NGSKRILROMZBSL-RNCFNFMXSA-N	-1	0	381.370	0.183	50	5		GCBARM
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000002747867	1199935383	/nfs/dbraw/zinc/93/53/83/1199935383.db2.gz	JAOXGJYNHLAUKH-ISVAXAHUSA-N	-1	0	381.370	0.183	50	5		GCBARM
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000002785173	1199936831	/nfs/dbraw/zinc/93/68/31/1199936831.db2.gz	RUAXJPXALSLHRI-SMDDNHRTSA-N	-1	0	395.397	0.248	50	5		GCBARM
COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	ZINC000002495763	209367728	/nfs/dbraw/zinc/36/77/28/209367728.db2.gz	FMPNTVCEPZIUET-UHFFFAOYSA-N	-1	0	397.373	0.884	50	5		GCBARM
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000002747868	209380796	/nfs/dbraw/zinc/38/07/96/209380796.db2.gz	JAOXGJYNHLAUKH-OQPBUACISA-N	-1	0	381.370	0.183	50	5		GCBARM
O=c1[n-]c(=O)c(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000008013286	136195429	/nfs/dbraw/zinc/19/54/29/136195429.db2.gz	LFFKGALXFLLIPT-UHFFFAOYSA-N	-1	0	386.290	0.712	50	5		GCBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)[O-])CC1	ZINC000003887767	570817532	/nfs/dbraw/zinc/81/75/32/570817532.db2.gz	VHEGSCDRFIWNPZ-UHFFFAOYSA-N	-1	0	385.398	0.601	50	5		GCBARM
O=c1[n-]c(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000072307656	530169181	/nfs/dbraw/zinc/16/91/81/530169181.db2.gz	DMSWVGMJGCJUGO-UHFFFAOYSA-N	-1	0	381.292	0.954	50	5		GCBARM
Cc1nn(C)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c1[N+](=O)[O-]	ZINC000002783726	209385528	/nfs/dbraw/zinc/38/55/28/209385528.db2.gz	QIVGICWXAQZMJD-UHLUBPPHSA-N	-1	0	381.370	0.009	50	5		GCBARM
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)n1	ZINC000002739647	209380855	/nfs/dbraw/zinc/38/08/55/209380855.db2.gz	NGSKRILROMZBSL-NOZJJQNGSA-N	-1	0	381.370	0.183	50	5		GCBARM
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)n1	ZINC000002739648	209380727	/nfs/dbraw/zinc/38/07/27/209380727.db2.gz	NGSKRILROMZBSL-TVQRCGJNSA-N	-1	0	381.370	0.183	50	5		GCBARM
O=c1[n-]/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)[nH]/c1=C/c1cccc([N+](=O)[O-])c1	ZINC000004838704	570306534	/nfs/dbraw/zinc/30/65/34/570306534.db2.gz	PWNGPZUJGFNYEJ-KAVGSWPWSA-N	-1	0	380.316	0.537	50	5		GCBARM
CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101455808	570823572	/nfs/dbraw/zinc/82/35/72/570823572.db2.gz	LSBIVCPQBQJOJF-ZDUSSCGKSA-N	-1	0	387.352	0.395	50	5		GCBARM
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000017080788	570926589	/nfs/dbraw/zinc/92/65/89/570926589.db2.gz	RUAXJPXALSLHRI-FZMZJTMJSA-N	-1	0	395.397	0.248	50	5		GCBARM
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000017080789	570926967	/nfs/dbraw/zinc/92/69/67/570926967.db2.gz	RUAXJPXALSLHRI-RISCZKNCSA-N	-1	0	395.397	0.248	50	5		GCBARM
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)n1	ZINC000002739650	209381604	/nfs/dbraw/zinc/38/16/04/209381604.db2.gz	NGSKRILROMZBSL-ZANVPECISA-N	-1	0	381.370	0.183	50	5		GCBARM
O=C([N-]N1S(=O)(=O)c2ccccc2S1(=O)=O)c1cccc([N+](=O)[O-])c1	ZINC000003583989	204014066	/nfs/dbraw/zinc/01/40/66/204014066.db2.gz	FIAAQHZIQRTJCG-UHFFFAOYSA-N	-1	0	383.363	0.633	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000012374536	570426150	/nfs/dbraw/zinc/42/61/50/570426150.db2.gz	AUBMHCNJNUOXBM-YWBRGDMXSA-N	-1	0	385.336	0.855	50	5		GCBARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101766234	570831323	/nfs/dbraw/zinc/83/13/23/570831323.db2.gz	MHOXXNAKBCFYFD-LBPRGKRZSA-N	-1	0	387.352	0.775	50	5		GCBARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101766238	570831378	/nfs/dbraw/zinc/83/13/78/570831378.db2.gz	MHOXXNAKBCFYFD-GFCCVEGCSA-N	-1	0	387.352	0.775	50	5		GCBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1	ZINC000013959686	570909047	/nfs/dbraw/zinc/90/90/47/570909047.db2.gz	QEHHUFJINZLAJE-BNOYYICYSA-N	-1	0	395.397	0.186	50	5		GCBARM
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000002747866	209381693	/nfs/dbraw/zinc/38/16/93/209381693.db2.gz	JAOXGJYNHLAUKH-AMIZOPFISA-N	-1	0	381.370	0.183	50	5		GCBARM
O=C([O-])[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003886166	204021074	/nfs/dbraw/zinc/02/10/74/204021074.db2.gz	VLXKCNCMNNMBSV-ZDUSSCGKSA-N	-1	0	385.398	0.669	50	5		GCBARM
O=c1[n-]/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)[nH]/c1=C\c1cccc([N+](=O)[O-])c1	ZINC000005512739	204137384	/nfs/dbraw/zinc/13/73/84/204137384.db2.gz	PWNGPZUJGFNYEJ-CKOAPEAFSA-N	-1	0	380.316	0.537	50	5		GCBARM
O=C([O-])CNC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12	ZINC000002122913	570956419	/nfs/dbraw/zinc/95/64/19/570956419.db2.gz	UBCCJOHRTCSJEB-UHFFFAOYSA-N	-1	0	384.344	0.642	50	5	biogenic	GCBARM
O=C([O-])[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003886165	209456236	/nfs/dbraw/zinc/45/62/36/209456236.db2.gz	VLXKCNCMNNMBSV-CYBMUJFWSA-N	-1	0	385.398	0.669	50	5		GCBARM
Cc1c([N+](=O)[O-])cnn1CCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000002785172	209385281	/nfs/dbraw/zinc/38/52/81/209385281.db2.gz	RUAXJPXALSLHRI-BXUZGUMPSA-N	-1	0	395.397	0.248	50	5		GCBARM
Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc(CCC(=O)[O-])c1=O	ZINC000012347614	570365593	/nfs/dbraw/zinc/36/55/93/570365593.db2.gz	VVTXITGCTSXJHW-UHFFFAOYSA-N	-1	0	394.369	0.008	50	5		GCBARM
Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c(=O)c1=O	ZINC000102476850	570848846	/nfs/dbraw/zinc/84/88/46/570848846.db2.gz	XBODITZVHWFZBW-UHFFFAOYSA-N	-1	0	390.377	0.946	50	5		GCBARM
O=C([O-])CS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001794485	212257407	/nfs/dbraw/zinc/25/74/07/212257407.db2.gz	DIPYAVYMTNZCIM-UHFFFAOYSA-N	-1	0	377.274	0.747	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000245237975	212134414	/nfs/dbraw/zinc/13/44/14/212134414.db2.gz	AUBMHCNJNUOXBM-BUBHRELISA-N	-1	0	385.336	0.855	50	5		GCBARM
O=C([O-])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000001036800	206344031	/nfs/dbraw/zinc/34/40/31/206344031.db2.gz	IKYFAWBZZWUCCY-UHFFFAOYSA-N	-1	0	386.123	0.562	50	5		GCBARM
Cc1c([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)nn1C	ZINC000002752124	206434022	/nfs/dbraw/zinc/43/40/22/206434022.db2.gz	LJFMWVWBZINCBL-ISVAXAHUSA-N	-1	0	381.370	0.009	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1[C@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000012374535	570426065	/nfs/dbraw/zinc/42/60/65/570426065.db2.gz	AUBMHCNJNUOXBM-VRRUTSLNSA-N	-1	0	385.336	0.855	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000169697266	570622057	/nfs/dbraw/zinc/62/20/57/570622057.db2.gz	AUBMHCNJNUOXBM-YEZLWPBFSA-N	-1	0	385.336	0.855	50	5		GCBARM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCCNc2ncnc(N)c2[N+](=O)[O-])cc1	ZINC000009097282	1200316086	/nfs/dbraw/zinc/31/60/86/1200316086.db2.gz	NJKLIZLTLOGXMR-UHFFFAOYSA-N	-1	0	396.385	0.802	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N=NN4c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000245237977	212134518	/nfs/dbraw/zinc/13/45/18/212134518.db2.gz	AUBMHCNJNUOXBM-QPPDSGJXSA-N	-1	0	385.336	0.855	50	5		GCBARM
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)nn1C	ZINC000002752123	206433798	/nfs/dbraw/zinc/43/37/98/206433798.db2.gz	LJFMWVWBZINCBL-AMIZOPFISA-N	-1	0	381.370	0.009	50	5		GCBARM
O=C([N-]N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1	ZINC000003583895	206487470	/nfs/dbraw/zinc/48/74/70/206487470.db2.gz	XZBVEXJNUSYQIL-UHFFFAOYSA-N	-1	0	383.363	0.633	50	5		GCBARM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000089591081	208106362	/nfs/dbraw/zinc/10/63/62/208106362.db2.gz	JMASYRXPYNBEFE-UHFFFAOYSA-N	-1	0	391.365	0.639	50	5		GCBARM
Cc1c([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)nn1C	ZINC000002752125	1199935802	/nfs/dbraw/zinc/93/58/02/1199935802.db2.gz	LJFMWVWBZINCBL-OQPBUACISA-N	-1	0	381.370	0.009	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000245237976	212134231	/nfs/dbraw/zinc/13/42/31/212134231.db2.gz	AUBMHCNJNUOXBM-FMSCYXPKSA-N	-1	0	385.336	0.855	50	5		GCBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)[C@H]2SC1	ZINC000102627158	570855099	/nfs/dbraw/zinc/85/50/99/570855099.db2.gz	QEHHUFJINZLAJE-LJXOEOAUSA-N	-1	0	395.397	0.186	50	5		GCBARM
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000002747869	1199935372	/nfs/dbraw/zinc/93/53/72/1199935372.db2.gz	JAOXGJYNHLAUKH-SDBXPKJASA-N	-1	0	381.370	0.183	50	5		GCBARM
Cc1c([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)nn1C	ZINC000002752126	1199935682	/nfs/dbraw/zinc/93/56/82/1199935682.db2.gz	LJFMWVWBZINCBL-SDBXPKJASA-N	-1	0	381.370	0.009	50	5		GCBARM
O=c1nc2[nH]cc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc-2c(=O)[n-]1	ZINC000072314037	222224306	/nfs/dbraw/zinc/22/43/06/222224306.db2.gz	WGDPDFHRISETAS-UHFFFAOYSA-N	-1	0	389.349	0.271	50	5		GCBARM
O=C([O-])C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000003886140	570817453	/nfs/dbraw/zinc/81/74/53/570817453.db2.gz	FYVCDSDONYOVAZ-UHFFFAOYSA-N	-1	0	399.425	0.917	50	5		GCBARM
O=C([O-])CCN1C[C@@]2([N+](=O)[O-])CC=C(C(=O)N3CCCCC3)[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022461	570713188	/nfs/dbraw/zinc/71/31/88/570713188.db2.gz	GCMXVCXJKLGGOA-SJORKVTESA-N	-1	0	396.400	0.540	50	5		GCBARM
Cn1c(-c2ccc([N+](=O)[O-])cc2)c(-c2c([O-])n(C)c(=O)n(C)c2=O)n(C)c1=O	ZINC000238937203	570814694	/nfs/dbraw/zinc/81/46/94/570814694.db2.gz	UEMGEQJMXFBJDQ-UHFFFAOYSA-N	-1	0	387.352	0.069	50	5		GCBARM
O=C([O-])C1CCN(S(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000008857432	1199233852	/nfs/dbraw/zinc/23/38/52/1199233852.db2.gz	LQBGYLLHOHSCLO-UHFFFAOYSA-N	-1	0	399.425	0.917	50	5		GCBARM
Cc1nn(C)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c1[N+](=O)[O-]	ZINC000002783727	1199936854	/nfs/dbraw/zinc/93/68/54/1199936854.db2.gz	QIVGICWXAQZMJD-CPFSXVBKSA-N	-1	0	381.370	0.009	50	5		GCBARM
O=C([O-])CSCC(=O)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1	ZINC000002764958	530930729	/nfs/dbraw/zinc/93/07/29/530930729.db2.gz	DNLJOZRXEADLHG-JTQLQIEISA-N	-1	0	376.412	0.796	50	5		GCBARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1	ZINC000013959687	207006345	/nfs/dbraw/zinc/00/63/45/207006345.db2.gz	QEHHUFJINZLAJE-IMIVBSTGSA-N	-1	0	395.397	0.186	50	5		GCBARM
Cc1cc([N-]S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])n(-c2ccc(C)nn2)n1	ZINC000089652363	208106986	/nfs/dbraw/zinc/10/69/86/208106986.db2.gz	FZADYCSJANXRSF-UHFFFAOYSA-N	-1	0	378.374	0.722	50	5		GCBARM
O=C([O-])CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@@H]2C1=O	ZINC000005244717	220847823	/nfs/dbraw/zinc/84/78/23/220847823.db2.gz	XSLCLZSJLGCMKI-NADOHHQUSA-N	-1	0	385.332	0.649	50	5		GCBARM
O=c1[n-]/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1	ZINC000022341008	1185455961	/nfs/dbraw/zinc/45/59/61/1185455961.db2.gz	LOSNRJCFOKIHOY-KAVGSWPWSA-N	-1	0	380.316	0.537	50	5		GCBARM
Cc1nn(C)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c1[N+](=O)[O-]	ZINC000002783725	1199937025	/nfs/dbraw/zinc/93/70/25/1199937025.db2.gz	QIVGICWXAQZMJD-WPPNPWJKSA-N	-1	0	381.370	0.009	50	5		GCBARM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cn1C	ZINC000031668359	207384752	/nfs/dbraw/zinc/38/47/52/207384752.db2.gz	KWBVDCTVYUNHBU-UHFFFAOYSA-N	-1	0	397.413	0.498	50	5		GCBARM
CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101455811	570823485	/nfs/dbraw/zinc/82/34/85/570823485.db2.gz	LSBIVCPQBQJOJF-CYBMUJFWSA-N	-1	0	387.352	0.395	50	5		GCBARM
Cc1c(OCC(=O)NCC(=O)NCC(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002114009	570950702	/nfs/dbraw/zinc/95/07/02/570950702.db2.gz	NNPWFEUIDMLFEA-UHFFFAOYSA-N	-1	0	398.371	0.950	50	5	biogenic	GCBARM