smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-]	ZINC000041329024	527702101	/nfs/dbraw/zinc/70/21/01/527702101.db2.gz	SEGBLZXDSCVFAM-UHFFFAOYSA-N	1	1	404.446	1.486	50	5		HDBAMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000035894423	569065165	/nfs/dbraw/zinc/06/51/65/569065165.db2.gz	UDQKQXKXUGWKPG-AZUAARDMSA-N	1	1	402.495	1.965	50	5		HDBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000027370020	569298211	/nfs/dbraw/zinc/29/82/11/569298211.db2.gz	GOZUBJRQBGSSHR-CRAIPNDOSA-N	1	1	407.471	1.043	50	5		HDBAMO
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000007654020	569299121	/nfs/dbraw/zinc/29/91/21/569299121.db2.gz	BTESMOQLMZSIAI-GOSISDBHSA-N	1	1	415.446	1.881	50	5		HDBAMO
C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1	ZINC000078967718	569422307	/nfs/dbraw/zinc/42/23/07/569422307.db2.gz	FUCZHLBRTWFBLZ-INIZCTEOSA-N	1	1	421.523	1.867	50	5		HDBAMO
CNS(=O)(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000012557823	568856531	/nfs/dbraw/zinc/85/65/31/568856531.db2.gz	SKQICFDODXMPQC-CHWSQXEVSA-N	1	1	400.501	1.803	50	5		HDBAMO
COCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1	ZINC000058214101	568900801	/nfs/dbraw/zinc/90/08/01/568900801.db2.gz	SOHCGDUAEVAYCO-HNNXBMFYSA-N	1	1	412.512	1.760	50	5		HDBAMO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000007654022	569299139	/nfs/dbraw/zinc/29/91/39/569299139.db2.gz	BTESMOQLMZSIAI-SFHVURJKSA-N	1	1	415.446	1.881	50	5		HDBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1	ZINC000055246750	569396253	/nfs/dbraw/zinc/39/62/53/569396253.db2.gz	JITQOXBPJHLUPR-FOIQADDNSA-N	1	1	415.450	1.135	50	5		HDBAMO
O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1CCC[NH+]1CCOCC1	ZINC000038829211	571084149	/nfs/dbraw/zinc/08/41/49/571084149.db2.gz	WEZGZWVORJCIFN-UHFFFAOYSA-N	1	1	417.469	1.818	50	5		HDBAMO
C[N@@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1	ZINC000030030084	568856799	/nfs/dbraw/zinc/85/67/99/568856799.db2.gz	BGFNAYCECZYZOQ-GOSISDBHSA-N	1	1	410.430	1.836	50	5		HDBAMO
C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1	ZINC000030030084	568856802	/nfs/dbraw/zinc/85/68/02/568856802.db2.gz	BGFNAYCECZYZOQ-GOSISDBHSA-N	1	1	410.430	1.836	50	5		HDBAMO
Cc1c(NC(=O)CC[NH+]2CCN(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-]	ZINC000026345393	569031400	/nfs/dbraw/zinc/03/14/00/569031400.db2.gz	MDUSVZLRFKLTHY-UHFFFAOYSA-N	1	1	405.455	1.302	50	5		HDBAMO
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]32)C1=O	ZINC000055232035	569395282	/nfs/dbraw/zinc/39/52/82/569395282.db2.gz	NOKXIGUAECPSIN-OXQOHEQNSA-N	1	1	415.450	1.088	50	5		HDBAMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000040007776	571137944	/nfs/dbraw/zinc/13/79/44/571137944.db2.gz	QELLLDNVWBQKGB-UHFFFAOYSA-N	1	1	422.445	1.938	50	5		HDBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000027370025	569298197	/nfs/dbraw/zinc/29/81/97/569298197.db2.gz	GOZUBJRQBGSSHR-YJBOKZPZSA-N	1	1	407.471	1.043	50	5		HDBAMO
CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286417	571064701	/nfs/dbraw/zinc/06/47/01/571064701.db2.gz	IMEFHJVFSIXSFC-GOSISDBHSA-N	1	1	417.466	1.403	50	5		HDBAMO
COC[C@H](O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1	ZINC000095444753	568611526	/nfs/dbraw/zinc/61/15/26/568611526.db2.gz	MNHIWJWSVREHLA-GFCCVEGCSA-N	1	1	423.438	1.475	50	5		HDBAMO
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000095448037	568612523	/nfs/dbraw/zinc/61/25/23/568612523.db2.gz	KWGHPANRLXBSJV-UHFFFAOYSA-N	1	1	407.427	1.564	50	5		HDBAMO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1[N+](=O)[O-]	ZINC000015671233	568961642	/nfs/dbraw/zinc/96/16/42/568961642.db2.gz	ARNRVPMHJYODIP-UHFFFAOYSA-N	1	1	420.495	1.579	50	5		HDBAMO
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1	ZINC000004683700	132282818	/nfs/dbraw/zinc/28/28/18/132282818.db2.gz	KFENMZBIMUWUHH-HZPDHXFCSA-N	1	1	402.451	1.389	50	5		HDBAMO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-]	ZINC000020266384	568596332	/nfs/dbraw/zinc/59/63/32/568596332.db2.gz	GESAMZKFYPTQDZ-INIZCTEOSA-N	1	1	413.482	1.880	50	5		HDBAMO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000058277575	568907778	/nfs/dbraw/zinc/90/77/78/568907778.db2.gz	FXMASFWBPOHBAL-AWEZNQCLSA-N	1	1	418.903	1.469	50	5		HDBAMO
Cc1nn(CC(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-]	ZINC000026149616	569027425	/nfs/dbraw/zinc/02/74/25/569027425.db2.gz	IOMIWMQQQKPNCM-GOSISDBHSA-N	1	1	400.483	1.513	50	5		HDBAMO
CCOC(=O)N1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)CC1	ZINC000008706842	535775931	/nfs/dbraw/zinc/77/59/31/535775931.db2.gz	VSEWSLBWOKLHEI-UHFFFAOYSA-N	1	1	405.455	1.261	50	5		HDBAMO
O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1CCC[NH+]1CCOCC1	ZINC000038829213	558816108	/nfs/dbraw/zinc/81/61/08/558816108.db2.gz	PNSYYQTUTVRMMV-UHFFFAOYSA-N	1	1	417.469	1.818	50	5		HDBAMO
C[NH+]1CCN(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)c3ccccc3c2=O)CC1	ZINC000020502437	568618329	/nfs/dbraw/zinc/61/83/29/568618329.db2.gz	ROHZGOWWHJTBGE-UHFFFAOYSA-N	1	1	407.430	1.746	50	5		HDBAMO
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000079108127	569427824	/nfs/dbraw/zinc/42/78/24/569427824.db2.gz	IVHWTRSLTOORCJ-ZIAGYGMSSA-N	1	1	401.485	1.771	50	5		HDBAMO
Cc1c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821767	569420685	/nfs/dbraw/zinc/42/06/85/569420685.db2.gz	KIWCZOZTIMAKDZ-XQQFMLRXSA-N	1	1	412.512	1.647	50	5		HDBAMO
CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)CC1	ZINC000009363531	132339044	/nfs/dbraw/zinc/33/90/44/132339044.db2.gz	IKVCXQKCYXDTQM-UHFFFAOYSA-N	1	1	403.443	1.870	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000248072321	559261832	/nfs/dbraw/zinc/26/18/32/559261832.db2.gz	AEDRUXHQYQPUDY-ZSYWTGECSA-N	1	1	418.409	1.904	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000248072321	559261834	/nfs/dbraw/zinc/26/18/34/559261834.db2.gz	AEDRUXHQYQPUDY-ZSYWTGECSA-N	1	1	418.409	1.904	50	5		HDBAMO
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1	ZINC000018181017	560781747	/nfs/dbraw/zinc/78/17/47/560781747.db2.gz	KFENMZBIMUWUHH-HOTGVXAUSA-N	1	1	402.451	1.389	50	5		HDBAMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl	ZINC000095432335	568609383	/nfs/dbraw/zinc/60/93/83/568609383.db2.gz	VBYWZGSLGMXWAB-SNVBAGLBSA-N	1	1	405.680	1.986	50	5		HDBAMO
C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000095462288	568621244	/nfs/dbraw/zinc/62/12/44/568621244.db2.gz	GEJWJAFLTBDYAG-LBPRGKRZSA-N	1	1	404.876	1.831	50	5		HDBAMO
COCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1	ZINC000058214099	568900794	/nfs/dbraw/zinc/90/07/94/568900794.db2.gz	SOHCGDUAEVAYCO-OAHLLOKOSA-N	1	1	412.512	1.760	50	5		HDBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1	ZINC000055246753	569396271	/nfs/dbraw/zinc/39/62/71/569396271.db2.gz	JITQOXBPJHLUPR-QRWLVFNGSA-N	1	1	415.450	1.135	50	5		HDBAMO
C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1	ZINC000078967710	569422348	/nfs/dbraw/zinc/42/23/48/569422348.db2.gz	FUCZHLBRTWFBLZ-MRXNPFEDSA-N	1	1	421.523	1.867	50	5		HDBAMO
CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)CC1	ZINC000057092969	568824079	/nfs/dbraw/zinc/82/40/79/568824079.db2.gz	CJKFHNLXAMYSAC-UHFFFAOYSA-N	1	1	412.498	1.041	50	5		HDBAMO
Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1	ZINC000015838388	569013686	/nfs/dbraw/zinc/01/36/86/569013686.db2.gz	ZCDDWPWUHWQCJE-UHFFFAOYSA-N	1	1	406.468	1.270	50	5		HDBAMO
CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286419	571064409	/nfs/dbraw/zinc/06/44/09/571064409.db2.gz	IMEFHJVFSIXSFC-SFHVURJKSA-N	1	1	417.466	1.403	50	5		HDBAMO
C[NH+]1CCN(C(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1	ZINC000020295801	568597607	/nfs/dbraw/zinc/59/76/07/568597607.db2.gz	KWYGPLYKPMWBPC-UHFFFAOYSA-N	1	1	418.475	1.564	50	5		HDBAMO
Nc1nc(NC[C@H]2CCCO2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000054147601	569059877	/nfs/dbraw/zinc/05/98/77/569059877.db2.gz	JSQFTPXRKKWONE-MRXNPFEDSA-N	1	1	413.482	1.880	50	5		HDBAMO
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]32)C1=O	ZINC000055232038	569395274	/nfs/dbraw/zinc/39/52/74/569395274.db2.gz	NOKXIGUAECPSIN-UZLBHIALSA-N	1	1	415.450	1.088	50	5		HDBAMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl	ZINC000221948070	568459324	/nfs/dbraw/zinc/45/93/24/568459324.db2.gz	VBYWZGSLGMXWAB-JTQLQIEISA-N	1	1	405.680	1.986	50	5		HDBAMO
COc1ccc(NC(=O)c2ccc(N3CC[NH+](CCO)CC3)c([N+](=O)[O-])c2)cc1	ZINC000020387415	568602299	/nfs/dbraw/zinc/60/22/99/568602299.db2.gz	YCEHKWUFVPRRGS-UHFFFAOYSA-N	1	1	400.435	1.970	50	5		HDBAMO
O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000040051278	571145274	/nfs/dbraw/zinc/14/52/74/571145274.db2.gz	DPHGPSOWYMSIDY-KRWDZBQOSA-N	1	1	410.430	1.374	50	5		HDBAMO
C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000040118721	571174990	/nfs/dbraw/zinc/17/49/90/571174990.db2.gz	BJLHOQKPHWYEHG-HNNXBMFYSA-N	1	1	412.512	1.760	50	5		HDBAMO
CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000072308614	558769699	/nfs/dbraw/zinc/76/96/99/558769699.db2.gz	IMNAXPSGXWKKKF-HNNXBMFYSA-N	1	1	415.494	1.654	50	5		HDBAMO
CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000072308614	558769702	/nfs/dbraw/zinc/76/97/02/558769702.db2.gz	IMNAXPSGXWKKKF-HNNXBMFYSA-N	1	1	415.494	1.654	50	5		HDBAMO
C[N@@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1	ZINC000030030085	568856775	/nfs/dbraw/zinc/85/67/75/568856775.db2.gz	BGFNAYCECZYZOQ-SFHVURJKSA-N	1	1	410.430	1.836	50	5		HDBAMO
C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1	ZINC000030030085	568856777	/nfs/dbraw/zinc/85/67/77/568856777.db2.gz	BGFNAYCECZYZOQ-SFHVURJKSA-N	1	1	410.430	1.836	50	5		HDBAMO
Cc1nn(CCC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000058251188	568906331	/nfs/dbraw/zinc/90/63/31/568906331.db2.gz	SSBKOJXREOEBBA-UHFFFAOYSA-N	1	1	414.510	1.862	50	5		HDBAMO
Nc1nc(NC[C@@H]2CCCO2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000054147598	569059889	/nfs/dbraw/zinc/05/98/89/569059889.db2.gz	JSQFTPXRKKWONE-INIZCTEOSA-N	1	1	413.482	1.880	50	5		HDBAMO
C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000040118720	571175102	/nfs/dbraw/zinc/17/51/02/571175102.db2.gz	BJLHOQKPHWYEHG-OAHLLOKOSA-N	1	1	412.512	1.760	50	5		HDBAMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000035894430	569065143	/nfs/dbraw/zinc/06/51/43/569065143.db2.gz	UDQKQXKXUGWKPG-QUCCMNQESA-N	1	1	402.495	1.965	50	5		HDBAMO
CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000072308615	558769634	/nfs/dbraw/zinc/76/96/34/558769634.db2.gz	IMNAXPSGXWKKKF-OAHLLOKOSA-N	1	1	415.494	1.654	50	5		HDBAMO
CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000072308615	558769638	/nfs/dbraw/zinc/76/96/38/558769638.db2.gz	IMNAXPSGXWKKKF-OAHLLOKOSA-N	1	1	415.494	1.654	50	5		HDBAMO
Cn1nc(-c2ccc(N3CC[NH+](CCO)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O	ZINC000019928835	568585663	/nfs/dbraw/zinc/58/56/63/568585663.db2.gz	KBXRGOKFLWJQSP-UHFFFAOYSA-N	1	1	409.446	1.623	50	5		HDBAMO
COc1cccc(NC(=O)c2ccc(N3CC[NH+](CCO)CC3)c([N+](=O)[O-])c2)c1	ZINC000020389055	568603772	/nfs/dbraw/zinc/60/37/72/568603772.db2.gz	QLZRHWRPMUQEOZ-UHFFFAOYSA-N	1	1	400.435	1.970	50	5		HDBAMO
CC[NH+]1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC3)CC1	ZINC000034789669	568827402	/nfs/dbraw/zinc/82/74/02/568827402.db2.gz	LFLFVFPWTSTRJS-UHFFFAOYSA-N	1	1	412.450	1.294	50	5		HDBAMO
CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	ZINC000084240637	568944888	/nfs/dbraw/zinc/94/48/88/568944888.db2.gz	ZURYVYKZZKVZJO-CQSZACIVSA-N	1	1	407.471	1.600	50	5		HDBAMO
CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	ZINC000084240637	568944890	/nfs/dbraw/zinc/94/48/90/568944890.db2.gz	ZURYVYKZZKVZJO-CQSZACIVSA-N	1	1	407.471	1.600	50	5		HDBAMO
Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH+]1	ZINC000015671232	568961609	/nfs/dbraw/zinc/96/16/09/568961609.db2.gz	AGKAWKOGVNPXOP-UHFFFAOYSA-N	1	1	406.468	1.270	50	5		HDBAMO
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000000788691	569007778	/nfs/dbraw/zinc/00/77/78/569007778.db2.gz	KAZKZZWKFPMMDM-UHFFFAOYSA-N	1	1	411.462	1.028	50	5		HDBAMO
Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(N2CCOCC2)[nH+]1	ZINC000015838326	569013668	/nfs/dbraw/zinc/01/36/68/569013668.db2.gz	RSTMDJOJWYQENG-UHFFFAOYSA-N	1	1	412.450	1.492	50	5		HDBAMO
CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	ZINC000084240640	568944822	/nfs/dbraw/zinc/94/48/22/568944822.db2.gz	ZURYVYKZZKVZJO-AWEZNQCLSA-N	1	1	407.471	1.600	50	5		HDBAMO
CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	ZINC000084240640	568944824	/nfs/dbraw/zinc/94/48/24/568944824.db2.gz	ZURYVYKZZKVZJO-AWEZNQCLSA-N	1	1	407.471	1.600	50	5		HDBAMO
O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000040051277	571145322	/nfs/dbraw/zinc/14/53/22/571145322.db2.gz	DPHGPSOWYMSIDY-QGZVFWFLSA-N	1	1	410.430	1.374	50	5		HDBAMO
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1	ZINC000102781739	560827375	/nfs/dbraw/zinc/82/73/75/560827375.db2.gz	KFENMZBIMUWUHH-IYBDPMFKSA-N	1	1	402.451	1.389	50	5		HDBAMO
CNS(=O)(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000012557824	568856434	/nfs/dbraw/zinc/85/64/34/568856434.db2.gz	SKQICFDODXMPQC-BETUJISGSA-N	1	1	400.501	1.803	50	5		HDBAMO
CNS(=O)(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000012557824	568856436	/nfs/dbraw/zinc/85/64/36/568856436.db2.gz	SKQICFDODXMPQC-BETUJISGSA-N	1	1	400.501	1.803	50	5		HDBAMO
CC(C)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1	ZINC000026302146	569031130	/nfs/dbraw/zinc/03/11/30/569031130.db2.gz	ANQGZSIKXAJGSI-LJQANCHMSA-N	1	1	405.499	1.783	50	5		HDBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000027370014	569298187	/nfs/dbraw/zinc/29/81/87/569298187.db2.gz	GOZUBJRQBGSSHR-QAPCUYQASA-N	1	1	407.471	1.043	50	5		HDBAMO
CC[NH+]1CCN(c2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])CC1	ZINC000017208363	571307546	/nfs/dbraw/zinc/30/75/46/571307546.db2.gz	VARLAEDUOASWLB-UHFFFAOYSA-N	1	1	403.443	1.870	50	5		HDBAMO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	ZINC000020266388	568596308	/nfs/dbraw/zinc/59/63/08/568596308.db2.gz	GESAMZKFYPTQDZ-MRXNPFEDSA-N	1	1	413.482	1.880	50	5		HDBAMO
COc1ccccc1Nc1nc(NCCC[NH+]2CCOCC2)nc(N)c1[N+](=O)[O-]	ZINC000020358041	568600498	/nfs/dbraw/zinc/60/04/98/568600498.db2.gz	BOGYHZIFXSZBDH-UHFFFAOYSA-N	1	1	403.443	1.853	50	5		HDBAMO
C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000253429415	569368758	/nfs/dbraw/zinc/36/87/58/569368758.db2.gz	HDDMFRRWJDXSMB-PVAVHDDUSA-N	1	1	411.455	1.247	50	5		HDBAMO
CN1CCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000020357730	568599575	/nfs/dbraw/zinc/59/95/75/568599575.db2.gz	HUAGKMFXOKUNNY-UHFFFAOYSA-N	1	1	412.498	1.041	50	5		HDBAMO
COc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])cc1	ZINC000020358563	568600426	/nfs/dbraw/zinc/60/04/26/568600426.db2.gz	FCEQTTAQXASVJZ-UHFFFAOYSA-N	1	1	403.443	1.853	50	5		HDBAMO
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1	ZINC000095448035	568612530	/nfs/dbraw/zinc/61/25/30/568612530.db2.gz	QUTVTLQLLHEDCM-UHFFFAOYSA-N	1	1	405.499	1.722	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(N)=O	ZINC000035087262	568990990	/nfs/dbraw/zinc/99/09/90/568990990.db2.gz	AEDRUXHQYQPUDY-RDGPPVDQSA-N	1	1	418.409	1.904	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(N)=O	ZINC000035087262	568990992	/nfs/dbraw/zinc/99/09/92/568990992.db2.gz	AEDRUXHQYQPUDY-RDGPPVDQSA-N	1	1	418.409	1.904	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(N)=O	ZINC000015996340	569025315	/nfs/dbraw/zinc/02/53/15/569025315.db2.gz	AEDRUXHQYQPUDY-MANSERQUSA-N	1	1	418.409	1.904	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(N)=O	ZINC000015996340	569025316	/nfs/dbraw/zinc/02/53/16/569025316.db2.gz	AEDRUXHQYQPUDY-MANSERQUSA-N	1	1	418.409	1.904	50	5		HDBAMO
C[NH+]1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	ZINC000019812508	569430566	/nfs/dbraw/zinc/43/05/66/569430566.db2.gz	JQNXREKAPVDGPB-UHFFFAOYSA-N	1	1	418.475	1.564	50	5		HDBAMO
CNS(=O)(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000012557822	568856464	/nfs/dbraw/zinc/85/64/64/568856464.db2.gz	SKQICFDODXMPQC-STQMWFEESA-N	1	1	400.501	1.803	50	5		HDBAMO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000058277577	568907879	/nfs/dbraw/zinc/90/78/79/568907879.db2.gz	FXMASFWBPOHBAL-CQSZACIVSA-N	1	1	418.903	1.469	50	5		HDBAMO
Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(N2CCOCC2)[nH+]1	ZINC000015838324	569013673	/nfs/dbraw/zinc/01/36/73/569013673.db2.gz	YKUWYYGKODSBSD-UHFFFAOYSA-N	1	1	412.450	1.492	50	5		HDBAMO
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000012888438	569019714	/nfs/dbraw/zinc/01/97/14/569019714.db2.gz	URTIDLIVFKBLDU-UHFFFAOYSA-N	1	1	405.451	1.903	50	5		HDBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000027370030	569298168	/nfs/dbraw/zinc/29/81/68/569298168.db2.gz	GOZUBJRQBGSSHR-MAUKXSAKSA-N	1	1	407.471	1.043	50	5		HDBAMO
C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000253429422	569368762	/nfs/dbraw/zinc/36/87/62/569368762.db2.gz	HDDMFRRWJDXSMB-XIRDDKMYSA-N	1	1	411.455	1.247	50	5		HDBAMO
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000040111552	571169795	/nfs/dbraw/zinc/16/97/95/571169795.db2.gz	XIPHLRORHZSRGY-UHFFFAOYSA-N	1	1	411.462	1.954	50	5		HDBAMO
CCOC(=O)CSc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000020664044	568639530	/nfs/dbraw/zinc/63/95/30/568639530.db2.gz	HBOIYSAQBNDWOD-UHFFFAOYSA-N	1	1	411.480	1.702	50	5		HDBAMO
Cc1nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(N2CCOCC2)[nH+]1	ZINC000015671205	568961649	/nfs/dbraw/zinc/96/16/49/568961649.db2.gz	XCKBQKYLLVUWBA-UHFFFAOYSA-N	1	1	412.450	1.492	50	5		HDBAMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000035894425	569065147	/nfs/dbraw/zinc/06/51/47/569065147.db2.gz	UDQKQXKXUGWKPG-UYAOXDASSA-N	1	1	402.495	1.965	50	5		HDBAMO
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000079108121	569427871	/nfs/dbraw/zinc/42/78/71/569427871.db2.gz	IVHWTRSLTOORCJ-OKILXGFUSA-N	1	1	401.485	1.771	50	5		HDBAMO
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000079108121	569427872	/nfs/dbraw/zinc/42/78/72/569427872.db2.gz	IVHWTRSLTOORCJ-OKILXGFUSA-N	1	1	401.485	1.771	50	5		HDBAMO
C[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000019800438	569430571	/nfs/dbraw/zinc/43/05/71/569430571.db2.gz	WHODPIXJPGWZIA-UHFFFAOYSA-N	1	1	418.475	1.564	50	5		HDBAMO
Cc1nn(CC(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-]	ZINC000106057842	560884451	/nfs/dbraw/zinc/88/44/51/560884451.db2.gz	IOMIWMQQQKPNCM-SFHVURJKSA-N	1	1	400.483	1.513	50	5		HDBAMO
NS(=O)(=O)c1ccc(OCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000032850935	527317637	/nfs/dbraw/zinc/31/76/37/527317637.db2.gz	REFOKEWLAWEHPD-UHFFFAOYSA-N	1	1	406.464	1.443	50	5		HDBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1	ZINC000015024204	568743364	/nfs/dbraw/zinc/74/33/64/568743364.db2.gz	JITQOXBPJHLUPR-YWZLYKJASA-N	1	1	415.450	1.135	50	5		HDBAMO
Cc1c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821776	569420705	/nfs/dbraw/zinc/42/07/05/569420705.db2.gz	KIWCZOZTIMAKDZ-FRRDWIJNSA-N	1	1	412.512	1.647	50	5		HDBAMO
NC(=O)NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1	ZINC000040120744	571176579	/nfs/dbraw/zinc/17/65/79/571176579.db2.gz	HIDCLKJVLKPPCV-UHFFFAOYSA-N	1	1	403.464	1.636	50	5		HDBAMO
C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000095462287	568621319	/nfs/dbraw/zinc/62/13/19/568621319.db2.gz	GEJWJAFLTBDYAG-GFCCVEGCSA-N	1	1	404.876	1.831	50	5		HDBAMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000035894427	569065162	/nfs/dbraw/zinc/06/51/62/569065162.db2.gz	UDQKQXKXUGWKPG-ICSRJNTNSA-N	1	1	402.495	1.965	50	5		HDBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCC[NH+]1CCOCC1	ZINC000025514399	568773667	/nfs/dbraw/zinc/77/36/67/568773667.db2.gz	KPOPGEAUGUGOPH-UHFFFAOYSA-N	1	1	412.512	1.904	50	5		HDBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[NH+](CCO)CC1	ZINC000015209318	568818641	/nfs/dbraw/zinc/81/86/41/568818641.db2.gz	DRURKMYNECQJBE-UHFFFAOYSA-N	1	1	412.512	1.274	50	5		HDBAMO
COCCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000057439455	568836929	/nfs/dbraw/zinc/83/69/29/568836929.db2.gz	RXKXBDPHQQECFH-UHFFFAOYSA-N	1	1	401.471	1.738	50	5		HDBAMO
Cc1nn(-c2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	ZINC000019907439	569433215	/nfs/dbraw/zinc/43/32/15/569433215.db2.gz	HTPLFYDCUHOOBC-UHFFFAOYSA-N	1	1	409.446	1.717	50	5		HDBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1	ZINC000013729656	558860799	/nfs/dbraw/zinc/86/07/99/558860799.db2.gz	JITQOXBPJHLUPR-MGPUTAFESA-N	1	1	415.450	1.135	50	5		HDBAMO
Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1	ZINC000047012683	560879806	/nfs/dbraw/zinc/87/98/06/560879806.db2.gz	BLDAPPQGQPPQOX-CYBMUJFWSA-N	1	1	408.418	1.919	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000106534870	560892264	/nfs/dbraw/zinc/89/22/64/560892264.db2.gz	AEDRUXHQYQPUDY-WJFTUGDTSA-N	1	1	418.409	1.904	50	5		HDBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000106534870	560892265	/nfs/dbraw/zinc/89/22/65/560892265.db2.gz	AEDRUXHQYQPUDY-WJFTUGDTSA-N	1	1	418.409	1.904	50	5		HDBAMO
CC(C)(C)NS(=O)(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000023078091	558999180	/nfs/dbraw/zinc/99/91/80/558999180.db2.gz	ROZSLDNGSOCNSY-UHFFFAOYSA-N	1	1	413.500	1.033	50	5		HDBAMO
COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000023895158	559182069	/nfs/dbraw/zinc/18/20/69/559182069.db2.gz	SCSRJHUQRXQVCH-UHFFFAOYSA-N	1	1	400.439	1.336	50	5		HDBAMO
Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1	ZINC000047012685	560879732	/nfs/dbraw/zinc/87/97/32/560879732.db2.gz	BLDAPPQGQPPQOX-ZDUSSCGKSA-N	1	1	408.418	1.919	50	5		HDBAMO
COC[C@@H](O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1	ZINC000095444754	568611593	/nfs/dbraw/zinc/61/15/93/568611593.db2.gz	MNHIWJWSVREHLA-LBPRGKRZSA-N	1	1	423.438	1.475	50	5		HDBAMO
CC(C)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1	ZINC000026302150	569031141	/nfs/dbraw/zinc/03/11/41/569031141.db2.gz	ANQGZSIKXAJGSI-IBGZPJMESA-N	1	1	405.499	1.783	50	5		HDBAMO
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000079108125	569427781	/nfs/dbraw/zinc/42/77/81/569427781.db2.gz	IVHWTRSLTOORCJ-KBPBESRZSA-N	1	1	401.485	1.771	50	5		HDBAMO