smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)CC2(CC[NH2+]CC2)N1	ZINC001164391235	718810032	/nfs/dbraw/zinc/81/00/32/718810032.db2.gz	GOGGJXJDJGOPRH-UHFFFAOYSA-N	1	0	452.849	2.309	20	5		JEBDRO
COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164683377	719668135	/nfs/dbraw/zinc/66/81/35/719668135.db2.gz	RQUKYWLOJXBVRF-KRWDZBQOSA-N	1	0	498.584	2.495	20	5		JEBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2	ZINC001164716911	720118100	/nfs/dbraw/zinc/11/81/00/720118100.db2.gz	LLNSADUZKNKLGO-KRWDZBQOSA-N	1	0	458.519	2.305	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164819633	720292925	/nfs/dbraw/zinc/29/29/25/720292925.db2.gz	FJRUKVVPWHSMMK-GJZGRUSLSA-N	1	0	480.953	2.126	20	5		JEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164753554	720855529	/nfs/dbraw/zinc/85/55/29/720855529.db2.gz	XWLOJIPHUVACDN-ZHALLVOQSA-N	1	0	455.519	2.137	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164869538	721050067	/nfs/dbraw/zinc/05/00/67/721050067.db2.gz	UDYVQRIOKRYLQH-HUUCEWRRSA-N	1	0	462.894	2.090	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)C1	ZINC001164870273	721267804	/nfs/dbraw/zinc/26/78/04/721267804.db2.gz	VCCJLGNBULQVNT-UHFFFAOYSA-N	1	0	462.938	2.198	20	5		JEBDRO
COC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164898135	721519440	/nfs/dbraw/zinc/51/94/40/721519440.db2.gz	HZZUDOTVDXEWRI-GXTWGEPZSA-N	1	0	451.842	2.306	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)C1	ZINC001164869419	721268149	/nfs/dbraw/zinc/26/81/49/721268149.db2.gz	NWKQSOGQKCWTJJ-UHFFFAOYSA-N	1	0	461.897	2.195	20	5		JEBDRO
COC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164898142	721519452	/nfs/dbraw/zinc/51/94/52/721519452.db2.gz	HZZUDOTVDXEWRI-OCCSQVGLSA-N	1	0	451.842	2.306	20	5		JEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn2)CC3)CC1	ZINC001164795680	721521437	/nfs/dbraw/zinc/52/14/37/721521437.db2.gz	RJBTYEYRWVBCHH-UHFFFAOYSA-N	1	0	452.494	2.155	20	5		JEBDRO
COc1ncnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-]	ZINC001164680373	719669211	/nfs/dbraw/zinc/66/92/11/719669211.db2.gz	DEEIOLPTCWBHJL-KRWDZBQOSA-N	1	0	468.558	2.487	20	5		JEBDRO
Cn1nnc2c1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1	ZINC001164717104	720174199	/nfs/dbraw/zinc/17/41/99/720174199.db2.gz	KSLYFDZJHZDYDD-LBPRGKRZSA-N	1	0	457.322	2.036	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC2)C1	ZINC001164879121	721289779	/nfs/dbraw/zinc/28/97/79/721289779.db2.gz	VFPGEKSYONWKNZ-UHFFFAOYSA-N	1	0	472.521	2.198	20	5		JEBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2	ZINC001164788055	721473319	/nfs/dbraw/zinc/47/33/19/721473319.db2.gz	HXJAAQCYQXDBGU-LJQANCHMSA-N	1	0	476.578	2.386	20	5		JEBDRO
COc1cc2c3cnc4cc5c(cc4c3n(CC[N@H+](C)CCO)c(=O)c2cc1OC)OCO5	ZINC000043067259	563166083	/nfs/dbraw/zinc/16/60/83/563166083.db2.gz	TZHYUBSGAHBHFB-UHFFFAOYSA-N	1	0	451.479	2.373	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-]	ZINC001164807507	720075217	/nfs/dbraw/zinc/07/52/17/720075217.db2.gz	FTVULZMMSJPPAP-VLIAUNLRSA-N	1	0	453.927	2.400	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164819635	720293348	/nfs/dbraw/zinc/29/33/48/720293348.db2.gz	FJRUKVVPWHSMMK-LSDHHAIUSA-N	1	0	480.953	2.126	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1[N+](=O)[O-]	ZINC001164826348	720319965	/nfs/dbraw/zinc/31/99/65/720319965.db2.gz	GHQGJMDVKBTSOZ-MOPGFXCFSA-N	1	0	454.531	2.458	20	5		JEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164743944	720838185	/nfs/dbraw/zinc/83/81/85/720838185.db2.gz	JYQQOQSVOKMHIV-ILZDJORESA-N	1	0	455.519	2.137	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)C1	ZINC001164874185	721262066	/nfs/dbraw/zinc/26/20/66/721262066.db2.gz	JJPPNZSTDWFATL-UHFFFAOYSA-N	1	0	461.897	2.195	20	5		JEBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2	ZINC001164787577	721459287	/nfs/dbraw/zinc/45/92/87/721459287.db2.gz	RNONKKKFGJBNDL-KRWDZBQOSA-N	1	0	465.551	2.136	20	5		JEBDRO
COC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164898144	721519746	/nfs/dbraw/zinc/51/97/46/721519746.db2.gz	HZZUDOTVDXEWRI-TZMCWYRMSA-N	1	0	451.842	2.306	20	5		JEBDRO
COc1ncnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-]	ZINC001164680376	719669077	/nfs/dbraw/zinc/66/90/77/719669077.db2.gz	DEEIOLPTCWBHJL-QGZVFWFLSA-N	1	0	468.558	2.487	20	5		JEBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2	ZINC001164716913	720117587	/nfs/dbraw/zinc/11/75/87/720117587.db2.gz	LLNSADUZKNKLGO-QGZVFWFLSA-N	1	0	458.519	2.305	20	5		JEBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1	ZINC001164713493	720169898	/nfs/dbraw/zinc/16/98/98/720169898.db2.gz	LLABJDKCUIWQCX-CYBMUJFWSA-N	1	0	468.971	2.105	20	5		JEBDRO
Cn1nnc2c1CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164716615	720196524	/nfs/dbraw/zinc/19/65/24/720196524.db2.gz	QBHKKHHAONEHOX-OAQYLSRUSA-N	1	0	464.530	2.397	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164819632	720293270	/nfs/dbraw/zinc/29/32/70/720293270.db2.gz	FJRUKVVPWHSMMK-CABCVRRESA-N	1	0	480.953	2.126	20	5		JEBDRO
COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-]	ZINC001164683300	719655040	/nfs/dbraw/zinc/65/50/40/719655040.db2.gz	VBQKLQFKEKCPNF-KRWDZBQOSA-N	1	0	468.558	2.487	20	5		JEBDRO
Cn1nnc2c1CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)[C@H]2COCC[NH+]1CCCC1	ZINC001164716614	720196111	/nfs/dbraw/zinc/19/61/11/720196111.db2.gz	QBHKKHHAONEHOX-NRFANRHFSA-N	1	0	464.530	2.397	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-]	ZINC001164813519	720210982	/nfs/dbraw/zinc/21/09/82/720210982.db2.gz	QNJQYVFFZRHGBO-UHFFFAOYSA-N	1	0	479.925	2.022	20	5		JEBDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)c2ccccc21	ZINC001164680312	719657559	/nfs/dbraw/zinc/65/75/59/719657559.db2.gz	FGBIOYARNIZNMY-GOSISDBHSA-N	1	0	453.543	2.322	20	5		JEBDRO
Cn1nnc2c1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164716613	720199544	/nfs/dbraw/zinc/19/95/44/720199544.db2.gz	PZWAVZHNDRHYOE-OAQYLSRUSA-N	1	0	464.530	2.397	20	5		JEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726236	720489659	/nfs/dbraw/zinc/48/96/59/720489659.db2.gz	KSNFLCTUZRRXLI-ZWKOTPCHSA-N	1	0	483.525	2.448	20	5		JEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164753552	720855222	/nfs/dbraw/zinc/85/52/22/720855222.db2.gz	XWLOJIPHUVACDN-JENIJYKNSA-N	1	0	455.519	2.137	20	5		JEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164754721	720967218	/nfs/dbraw/zinc/96/72/18/720967218.db2.gz	VIFHWWTWDHPDGJ-UHFFFAOYSA-N	1	0	455.450	2.033	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC2)C1	ZINC001164873477	721283470	/nfs/dbraw/zinc/28/34/70/721283470.db2.gz	MVXVGQARRLBRRN-UHFFFAOYSA-N	1	0	454.531	2.059	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164975526	722102032	/nfs/dbraw/zinc/10/20/32/722102032.db2.gz	CEMGCSNXUIGZMN-HOTGVXAUSA-N	1	0	476.921	2.337	20	5		JEBDRO
COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-]	ZINC001164683306	719655470	/nfs/dbraw/zinc/65/54/70/719655470.db2.gz	VBQKLQFKEKCPNF-QGZVFWFLSA-N	1	0	468.558	2.487	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-]	ZINC001164807503	720075474	/nfs/dbraw/zinc/07/54/74/720075474.db2.gz	FTVULZMMSJPPAP-VBKZILBWSA-N	1	0	453.927	2.400	20	5		JEBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001164715654	720170350	/nfs/dbraw/zinc/17/03/50/720170350.db2.gz	VNVVJTGHZWKZCG-MRXNPFEDSA-N	1	0	493.952	2.165	20	5		JEBDRO
CSc1nc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC001164719477	720184684	/nfs/dbraw/zinc/18/46/84/720184684.db2.gz	VHTFXMLFCLYROU-CYBMUJFWSA-N	1	0	468.971	2.105	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1[N+](=O)[O-]	ZINC001164826358	720319853	/nfs/dbraw/zinc/31/98/53/720319853.db2.gz	GHQGJMDVKBTSOZ-RTBURBONSA-N	1	0	454.531	2.458	20	5		JEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726232	720488859	/nfs/dbraw/zinc/48/88/59/720488859.db2.gz	KSNFLCTUZRRXLI-QZTJIDSGSA-N	1	0	483.525	2.448	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164750003	720812279	/nfs/dbraw/zinc/81/22/79/720812279.db2.gz	UYKHJNNMTTVWSB-HRCADAONSA-N	1	0	490.952	2.186	20	5		JEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164753553	720855539	/nfs/dbraw/zinc/85/55/39/720855539.db2.gz	XWLOJIPHUVACDN-YQVWRLOYSA-N	1	0	455.519	2.137	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC001164868562	721268779	/nfs/dbraw/zinc/26/87/79/721268779.db2.gz	CFZNVHFISXRUFV-UHFFFAOYSA-N	1	0	462.938	2.198	20	5		JEBDRO
Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164878666	721286824	/nfs/dbraw/zinc/28/68/24/721286824.db2.gz	SBFFTIZQBYBHTA-UHFFFAOYSA-N	1	0	468.558	2.367	20	5		JEBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2	ZINC001164787583	721459483	/nfs/dbraw/zinc/45/94/83/721459483.db2.gz	RNONKKKFGJBNDL-QGZVFWFLSA-N	1	0	465.551	2.136	20	5		JEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164966939	722061707	/nfs/dbraw/zinc/06/17/07/722061707.db2.gz	ZRKPHXSIKWLYRL-UHFFFAOYSA-N	1	0	455.519	2.166	20	5		JEBDRO
CCc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164754754	720965033	/nfs/dbraw/zinc/96/50/33/720965033.db2.gz	WWLIRCXFSRNQQV-UHFFFAOYSA-N	1	0	465.514	2.456	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)C1	ZINC001164875973	721292890	/nfs/dbraw/zinc/29/28/90/721292890.db2.gz	IJACENITEXDTOB-UHFFFAOYSA-N	1	0	462.938	2.198	20	5		JEBDRO
COC(=O)c1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164961169	722054065	/nfs/dbraw/zinc/05/40/65/722054065.db2.gz	TYLRBXAMXPVGSZ-UHFFFAOYSA-N	1	0	476.921	2.339	20	5		JEBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1	ZINC001164713494	720170958	/nfs/dbraw/zinc/17/09/58/720170958.db2.gz	LLABJDKCUIWQCX-ZDUSSCGKSA-N	1	0	468.971	2.105	20	5		JEBDRO
Cn1nnc2c1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@H]2COCC[NH+]1CCCC1	ZINC001164716612	720199717	/nfs/dbraw/zinc/19/97/17/720199717.db2.gz	PZWAVZHNDRHYOE-NRFANRHFSA-N	1	0	464.530	2.397	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164819634	720292837	/nfs/dbraw/zinc/29/28/37/720292837.db2.gz	FJRUKVVPWHSMMK-HUUCEWRRSA-N	1	0	480.953	2.126	20	5		JEBDRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1	ZINC000023078852	563019901	/nfs/dbraw/zinc/01/99/01/563019901.db2.gz	ARQFLMCDWNNOFO-UHFFFAOYSA-N	1	0	451.487	2.499	20	5		JEBDRO
Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164753464	720964941	/nfs/dbraw/zinc/96/49/41/720964941.db2.gz	GADVVVCDRFGAIY-UHFFFAOYSA-N	1	0	451.487	2.202	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164869534	721050594	/nfs/dbraw/zinc/05/05/94/721050594.db2.gz	UDYVQRIOKRYLQH-CABCVRRESA-N	1	0	462.894	2.090	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164975527	722102283	/nfs/dbraw/zinc/10/22/83/722102283.db2.gz	CEMGCSNXUIGZMN-HZPDHXFCSA-N	1	0	476.921	2.337	20	5		JEBDRO
O=C1CN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)CC2(CC[NH2+]CC2)N1	ZINC001164392347	718809857	/nfs/dbraw/zinc/80/98/57/718809857.db2.gz	LEJRVTVPHWNVQF-UHFFFAOYSA-N	1	0	452.849	2.309	20	5		JEBDRO
CSc1nc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC001164719478	720184765	/nfs/dbraw/zinc/18/47/65/720184765.db2.gz	VHTFXMLFCLYROU-ZDUSSCGKSA-N	1	0	468.971	2.105	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1[N+](=O)[O-]	ZINC001164826350	720319747	/nfs/dbraw/zinc/31/97/47/720319747.db2.gz	GHQGJMDVKBTSOZ-OALUTQOASA-N	1	0	454.531	2.458	20	5		JEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726234	720487915	/nfs/dbraw/zinc/48/79/15/720487915.db2.gz	KSNFLCTUZRRXLI-ROUUACIJSA-N	1	0	483.525	2.448	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164750006	720812163	/nfs/dbraw/zinc/81/21/63/720812163.db2.gz	UYKHJNNMTTVWSB-OWCLPIDISA-N	1	0	490.952	2.186	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164750000	720812340	/nfs/dbraw/zinc/81/23/40/720812340.db2.gz	UYKHJNNMTTVWSB-BZUAXINKSA-N	1	0	490.952	2.186	20	5		JEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164753555	720855276	/nfs/dbraw/zinc/85/52/76/720855276.db2.gz	XWLOJIPHUVACDN-ZIFCJYIRSA-N	1	0	455.519	2.137	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164869536	721050119	/nfs/dbraw/zinc/05/01/19/721050119.db2.gz	UDYVQRIOKRYLQH-GJZGRUSLSA-N	1	0	462.894	2.090	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1[N+](=O)[O-]	ZINC001164614472	719022359	/nfs/dbraw/zinc/02/23/59/719022359.db2.gz	TVTNEUZHCMZNCH-UHFFFAOYSA-N	1	0	469.926	2.459	20	5		JEBDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)c2ccccc21	ZINC001164680315	719657606	/nfs/dbraw/zinc/65/76/06/719657606.db2.gz	FGBIOYARNIZNMY-SFHVURJKSA-N	1	0	453.543	2.322	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-]	ZINC001164807510	720075355	/nfs/dbraw/zinc/07/53/55/720075355.db2.gz	FTVULZMMSJPPAP-XOBRGWDASA-N	1	0	453.927	2.400	20	5		JEBDRO
Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)cc1[N+](=O)[O-]	ZINC001164872898	721280981	/nfs/dbraw/zinc/28/09/81/721280981.db2.gz	HTRUIMPYXIAMHW-UHFFFAOYSA-N	1	0	468.558	2.367	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890378	721412426	/nfs/dbraw/zinc/41/24/26/721412426.db2.gz	SIXOYCAZFAUEET-HXOBKFHXSA-N	1	0	456.547	2.312	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890381	721412738	/nfs/dbraw/zinc/41/27/38/721412738.db2.gz	SIXOYCAZFAUEET-SBUREZEXSA-N	1	0	456.547	2.312	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890374	721412798	/nfs/dbraw/zinc/41/27/98/721412798.db2.gz	SIXOYCAZFAUEET-GAJHUEQPSA-N	1	0	456.547	2.312	20	5		JEBDRO
COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164683395	719667745	/nfs/dbraw/zinc/66/77/45/719667745.db2.gz	RQUKYWLOJXBVRF-QGZVFWFLSA-N	1	0	498.584	2.495	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-]	ZINC001164807501	720075817	/nfs/dbraw/zinc/07/58/17/720075817.db2.gz	FTVULZMMSJPPAP-JLTOFOAXSA-N	1	0	453.927	2.400	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1[N+](=O)[O-]	ZINC001164826355	720319860	/nfs/dbraw/zinc/31/98/60/720319860.db2.gz	GHQGJMDVKBTSOZ-RBUKOAKNSA-N	1	0	454.531	2.458	20	5		JEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164743948	720837918	/nfs/dbraw/zinc/83/79/18/720837918.db2.gz	JYQQOQSVOKMHIV-YVWKXTFCSA-N	1	0	455.519	2.137	20	5		JEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164743947	720838311	/nfs/dbraw/zinc/83/83/11/720838311.db2.gz	JYQQOQSVOKMHIV-XKGZKEIXSA-N	1	0	455.519	2.137	20	5		JEBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747273	720845819	/nfs/dbraw/zinc/84/58/19/720845819.db2.gz	QAWOQNKUVIKRES-QQDVYYJJSA-N	1	0	452.563	2.493	20	5		JEBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747274	720845953	/nfs/dbraw/zinc/84/59/53/720845953.db2.gz	QAWOQNKUVIKRES-XTTOSJSKSA-N	1	0	452.563	2.493	20	5		JEBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747269	720845987	/nfs/dbraw/zinc/84/59/87/720845987.db2.gz	QAWOQNKUVIKRES-BLYYOLSLSA-N	1	0	452.563	2.493	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)C1	ZINC001164873811	721288511	/nfs/dbraw/zinc/28/85/11/721288511.db2.gz	BDUMUWOPMLOLBT-UHFFFAOYSA-N	1	0	454.531	2.059	20	5		JEBDRO
COC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164898140	721519967	/nfs/dbraw/zinc/51/99/67/721519967.db2.gz	HZZUDOTVDXEWRI-JSGCOSHPSA-N	1	0	451.842	2.306	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164975528	722102011	/nfs/dbraw/zinc/10/20/11/722102011.db2.gz	CEMGCSNXUIGZMN-JKSUJKDBSA-N	1	0	476.921	2.337	20	5		JEBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001164715646	720170285	/nfs/dbraw/zinc/17/02/85/720170285.db2.gz	VNVVJTGHZWKZCG-INIZCTEOSA-N	1	0	493.952	2.165	20	5		JEBDRO
Cn1nnc2c1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1	ZINC001164717102	720174322	/nfs/dbraw/zinc/17/43/22/720174322.db2.gz	KSLYFDZJHZDYDD-GFCCVEGCSA-N	1	0	457.322	2.036	20	5		JEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726212	720488137	/nfs/dbraw/zinc/48/81/37/720488137.db2.gz	KSNFLCTUZRRXLI-MSOLQXFVSA-N	1	0	483.525	2.448	20	5		JEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164743945	720838012	/nfs/dbraw/zinc/83/80/12/720838012.db2.gz	JYQQOQSVOKMHIV-IMFGXOCKSA-N	1	0	455.519	2.137	20	5		JEBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747272	720845652	/nfs/dbraw/zinc/84/56/52/720845652.db2.gz	QAWOQNKUVIKRES-QBIBHHIVSA-N	1	0	452.563	2.493	20	5		JEBDRO
COc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890384	721412901	/nfs/dbraw/zinc/41/29/01/721412901.db2.gz	SIXOYCAZFAUEET-UZUQRXQVSA-N	1	0	456.547	2.312	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164749992	720812259	/nfs/dbraw/zinc/81/22/59/720812259.db2.gz	UYKHJNNMTTVWSB-ARFHVFGLSA-N	1	0	490.952	2.186	20	5		JEBDRO
Cc1ccc(-c2ccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nn2)cc1[N+](=O)[O-]	ZINC001164749387	720961230	/nfs/dbraw/zinc/96/12/30/720961230.db2.gz	DHRKBQGIDGGDMG-UHFFFAOYSA-N	1	0	451.487	2.202	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164869539	721050402	/nfs/dbraw/zinc/05/04/02/721050402.db2.gz	UDYVQRIOKRYLQH-LSDHHAIUSA-N	1	0	462.894	2.090	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)C1	ZINC001164869402	721266611	/nfs/dbraw/zinc/26/66/11/721266611.db2.gz	NMVFGMIKZFXCQO-UHFFFAOYSA-N	1	0	461.897	2.195	20	5		JEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC2)C1	ZINC001164874458	721285562	/nfs/dbraw/zinc/28/55/62/721285562.db2.gz	RXJQVXFLBHBLPP-UHFFFAOYSA-N	1	0	480.875	2.064	20	5		JEBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2	ZINC001164788049	721473164	/nfs/dbraw/zinc/47/31/64/721473164.db2.gz	HXJAAQCYQXDBGU-IBGZPJMESA-N	1	0	476.578	2.386	20	5		JEBDRO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164975525	722101931	/nfs/dbraw/zinc/10/19/31/722101931.db2.gz	CEMGCSNXUIGZMN-CVEARBPZSA-N	1	0	476.921	2.337	20	5		JEBDRO