smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000576510806	381853519	/nfs/dbraw/zinc/85/35/19/381853519.db2.gz	CECWKDIOQBOYDN-HNNXBMFYSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1	ZINC000571909675	378564492	/nfs/dbraw/zinc/56/44/92/378564492.db2.gz	ANQNMSSJVABGGP-UKRRQHHQSA-N	2	0	340.428	-0.375	20	5		EBBDRP
C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000576510809	381852781	/nfs/dbraw/zinc/85/27/81/381852781.db2.gz	CECWKDIOQBOYDN-OAHLLOKOSA-N	2	0	340.428	-0.232	20	5		EBBDRP
O=C([C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1	ZINC000430613410	265150223	/nfs/dbraw/zinc/15/02/23/265150223.db2.gz	WLQJRHNPGQXYTO-ZDUSSCGKSA-N	2	0	336.396	-0.065	20	5		EBBDRP
C[N@@H+]1CCO[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]21	ZINC001164665647	719377945	/nfs/dbraw/zinc/37/79/45/719377945.db2.gz	BVCKLHSFNHUGRB-RYUDHWBXSA-N	2	0	349.395	-0.686	20	5		EBBDRP
N=c1cc(C[NH3+])ccn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156849771	831506709	/nfs/dbraw/zinc/50/67/09/831506709.db2.gz	BZLMYSZIPTYTJQ-UHFFFAOYSA-N	2	0	330.352	-0.477	20	5		EBBDRP
Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159293675	831736168	/nfs/dbraw/zinc/73/61/68/831736168.db2.gz	MNRFATQNAUFGGM-UHFFFAOYSA-N	2	0	348.367	-0.505	20	5		EBBDRP
C[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1	ZINC001159500255	831757952	/nfs/dbraw/zinc/75/79/52/831757952.db2.gz	WTMKLGHPUJDZFW-GHMZBOCLSA-N	2	0	337.384	-0.417	20	5		EBBDRP
C[NH+]1CCN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001335338397	842262159	/nfs/dbraw/zinc/26/21/59/842262159.db2.gz	RSFHZJLGSHSDFC-AWEZNQCLSA-N	2	0	326.401	-0.621	20	5		EBBDRP
CC[NH+]1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001338450043	842802467	/nfs/dbraw/zinc/80/24/67/842802467.db2.gz	QDYPYSWJLJVOCP-CQSZACIVSA-N	2	0	326.401	-0.621	20	5		EBBDRP
[NH3+][C@@H]1CCc2nn(-c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])cc2C1	ZINC001157980179	831615635	/nfs/dbraw/zinc/61/56/35/831615635.db2.gz	NWGLVJAJSOBWGM-LLVKDONJSA-N	2	0	344.379	-0.204	20	5		EBBDRP
[NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CN2CCC1CC2	ZINC001160518013	831860208	/nfs/dbraw/zinc/86/02/08/831860208.db2.gz	UDWOVRVZDPJRAC-OAHLLOKOSA-N	2	0	333.396	-0.093	20	5		EBBDRP
CCOC(=O)c1c(C[NH3+])ncn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001162533357	832050850	/nfs/dbraw/zinc/05/08/50/832050850.db2.gz	SGFGWWVQEHLDGZ-UHFFFAOYSA-N	2	0	347.335	-0.107	20	5		EBBDRP
O=[N+]([O-])c1c(-n2ncc3c2CC[NH2+]C3)ncnc1N1CC[NH2+]CC1	ZINC001165218209	832207785	/nfs/dbraw/zinc/20/77/85/832207785.db2.gz	KMADZXSACAHHSZ-UHFFFAOYSA-N	2	0	330.352	-0.374	20	5		EBBDRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325870682	839964970	/nfs/dbraw/zinc/96/49/70/839964970.db2.gz	HIWJVJOISIZBMI-TZMCWYRMSA-N	2	0	326.401	-0.622	20	5		EBBDRP
C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1	ZINC000571909674	378564269	/nfs/dbraw/zinc/56/42/69/378564269.db2.gz	ANQNMSSJVABGGP-HIFRSBDPSA-N	2	0	340.428	-0.375	20	5		EBBDRP
C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1	ZINC000571909673	378564381	/nfs/dbraw/zinc/56/43/81/378564381.db2.gz	ANQNMSSJVABGGP-DZGCQCFKSA-N	2	0	340.428	-0.375	20	5		EBBDRP
C[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1	ZINC001159500258	831758327	/nfs/dbraw/zinc/75/83/27/831758327.db2.gz	WTMKLGHPUJDZFW-MNOVXSKESA-N	2	0	337.384	-0.417	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ncnc1N1CC[NH2+]CC1	ZINC001162790898	832063171	/nfs/dbraw/zinc/06/31/71/832063171.db2.gz	XOHVMBYJQMMJQQ-SDDRHHMPSA-N	2	0	331.380	-0.020	20	5		EBBDRP
[NH3+][C@@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1(F)F	ZINC001166962857	832302717	/nfs/dbraw/zinc/30/27/17/832302717.db2.gz	YVWYZJBUXDHJAT-SECBINFHSA-N	2	0	343.338	-0.033	20	5		EBBDRP
COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176238	381504491	/nfs/dbraw/zinc/50/44/91/381504491.db2.gz	JKVNVXSJKKUJMD-GXTWGEPZSA-N	2	0	327.385	-0.147	20	5		EBBDRP
C[N@H+]1C[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2C1	ZINC001165147595	832206384	/nfs/dbraw/zinc/20/63/84/832206384.db2.gz	JJMHPJPSEXZXBV-TXEJJXNPSA-N	2	0	333.396	-0.208	20	5		EBBDRP
O=[N+]([O-])c1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001165292056	832211769	/nfs/dbraw/zinc/21/17/69/832211769.db2.gz	RLMMGZHWYGZEHR-ZWNOBZJWSA-N	2	0	334.380	-0.114	20	5		EBBDRP
Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1	ZINC000603428360	379684538	/nfs/dbraw/zinc/68/45/38/379684538.db2.gz	ITKCRQWJRHOXGS-LBPRGKRZSA-N	2	0	336.396	-0.028	20	5		EBBDRP
COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176240	381503831	/nfs/dbraw/zinc/50/38/31/381503831.db2.gz	JKVNVXSJKKUJMD-OCCSQVGLSA-N	2	0	327.385	-0.147	20	5		EBBDRP
COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176241	381505016	/nfs/dbraw/zinc/50/50/16/381505016.db2.gz	JKVNVXSJKKUJMD-TZMCWYRMSA-N	2	0	327.385	-0.147	20	5		EBBDRP
C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001120574080	827247542	/nfs/dbraw/zinc/24/75/42/827247542.db2.gz	JVNRXRAGWAIGES-OAHLLOKOSA-N	2	0	340.428	-0.231	20	5		EBBDRP
O=[N+]([O-])c1cnc(NCc2nnn3c2C[NH2+]CCC3)nc1C1C[NH2+]C1	ZINC001155399569	831403548	/nfs/dbraw/zinc/40/35/48/831403548.db2.gz	AUOVXKXJNCBJMD-UHFFFAOYSA-N	2	0	345.367	-0.232	20	5		EBBDRP
[NH3+]CCOCCOCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001170507355	832511470	/nfs/dbraw/zinc/51/14/70/832511470.db2.gz	INDYGRYJDRTNOE-UHFFFAOYSA-N	2	0	326.357	-0.525	20	5		EBBDRP
CN1CC[NH+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001325839359	839954191	/nfs/dbraw/zinc/95/41/91/839954191.db2.gz	CTYYDLGDTISQDV-HNNXBMFYSA-N	2	0	340.428	-0.231	20	5		EBBDRP
N=C(NCCCC[NH3+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001157094451	831534241	/nfs/dbraw/zinc/53/42/41/831534241.db2.gz	PVCNTDQTIBBTAY-UHFFFAOYSA-N	2	0	337.388	-0.530	20	5		EBBDRP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C	ZINC001353316899	832422089	/nfs/dbraw/zinc/42/20/89/832422089.db2.gz	RHHXCZVLUXIBHG-YUTCNCBUSA-N	2	0	326.401	-0.624	20	5		EBBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)COCC[NH+](C)C	ZINC001171204926	832550358	/nfs/dbraw/zinc/55/03/58/832550358.db2.gz	IMLHJVGKFFWFSU-UHFFFAOYSA-N	2	0	342.400	-0.498	20	5		EBBDRP
C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-])[NH+](C)C	ZINC000603280675	379685418	/nfs/dbraw/zinc/68/54/18/379685418.db2.gz	ZREVVSHIAXGRAU-MNOVXSKESA-N	2	0	325.417	-0.047	20	5		EBBDRP
C[N@@H+]1CCO[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]21	ZINC001164665376	719378247	/nfs/dbraw/zinc/37/82/47/719378247.db2.gz	BVCKLHSFNHUGRB-NEPJUHHUSA-N	2	0	349.395	-0.686	20	5		EBBDRP
CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157551423	831578217	/nfs/dbraw/zinc/57/82/17/831578217.db2.gz	CDUVKJMKWDVIIZ-UHFFFAOYSA-N	2	0	338.368	-0.210	20	5		EBBDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001356570775	1130881218	/nfs/dbraw/zinc/88/12/18/1130881218.db2.gz	VJERCATYNJNREC-DZGCQCFKSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC001356584363	1130881413	/nfs/dbraw/zinc/88/14/13/1130881413.db2.gz	NHACRLQEPZFGSD-OCCSQVGLSA-N	2	0	326.401	-0.622	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ncnc1N1CC[NH2+]CC1	ZINC001162790897	832063306	/nfs/dbraw/zinc/06/33/06/832063306.db2.gz	XOHVMBYJQMMJQQ-QJPTWQEYSA-N	2	0	331.380	-0.020	20	5		EBBDRP
C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC001356584260	1130881787	/nfs/dbraw/zinc/88/17/87/1130881787.db2.gz	NHACRLQEPZFGSD-GXTWGEPZSA-N	2	0	326.401	-0.622	20	5		EBBDRP
C[C@H](CNc1ncc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)n1)[NH+](C)C	ZINC000603280674	379686104	/nfs/dbraw/zinc/68/61/04/379686104.db2.gz	ZREVVSHIAXGRAU-GHMZBOCLSA-N	2	0	325.417	-0.047	20	5		EBBDRP
O=[N+]([O-])c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncnc1N1CC[NH2+]CC1	ZINC001155542001	831412305	/nfs/dbraw/zinc/41/23/05/831412305.db2.gz	VNXARJBFKUAUCH-QMTHXVAHSA-N	2	0	335.368	-0.663	20	5		EBBDRP
N=C(Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])SCC[NH3+]	ZINC001157128560	831538470	/nfs/dbraw/zinc/53/84/70/831538470.db2.gz	QLDHVUXOCQQIBH-UHFFFAOYSA-N	2	0	326.386	-0.167	20	5		EBBDRP
[NH3+][C@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1(F)F	ZINC001166962859	832303049	/nfs/dbraw/zinc/30/30/49/832303049.db2.gz	YVWYZJBUXDHJAT-VIFPVBQESA-N	2	0	343.338	-0.033	20	5		EBBDRP
C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH+](C)C	ZINC000870024353	584443011	/nfs/dbraw/zinc/44/30/11/584443011.db2.gz	ZNSZPTOFHASQQJ-CHWSQXEVSA-N	2	0	338.412	-0.011	20	5		EBBDRP
Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1	ZINC000603428359	379684386	/nfs/dbraw/zinc/68/43/86/379684386.db2.gz	ITKCRQWJRHOXGS-GFCCVEGCSA-N	2	0	336.396	-0.028	20	5		EBBDRP
[NH3+][C@H]1CCc2nn(-c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])cc2C1	ZINC001157980180	831615538	/nfs/dbraw/zinc/61/55/38/831615538.db2.gz	NWGLVJAJSOBWGM-NSHDSACASA-N	2	0	344.379	-0.204	20	5		EBBDRP
C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1	ZINC001159500259	831758087	/nfs/dbraw/zinc/75/80/87/831758087.db2.gz	WTMKLGHPUJDZFW-QWRGUYRKSA-N	2	0	337.384	-0.417	20	5		EBBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000533184978	420930707	/nfs/dbraw/zinc/93/07/07/420930707.db2.gz	CZIBWEIRZJGJCO-UHFFFAOYSA-N	2	0	341.416	-0.074	20	5		EBBDRP
C[N@@H+]1CCO[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]21	ZINC001164665644	719377769	/nfs/dbraw/zinc/37/77/69/719377769.db2.gz	BVCKLHSFNHUGRB-NWDGAFQWSA-N	2	0	349.395	-0.686	20	5		EBBDRP
C[N@@H+]1CCO[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]21	ZINC001164665649	719377853	/nfs/dbraw/zinc/37/78/53/719377853.db2.gz	BVCKLHSFNHUGRB-VXGBXAGGSA-N	2	0	349.395	-0.686	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncnc1N1CC[NH2+]CC1	ZINC001155634253	831418335	/nfs/dbraw/zinc/41/83/35/831418335.db2.gz	BANZGPAOOIFHRD-SCVCMEIPSA-N	2	0	335.368	-0.664	20	5		EBBDRP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C	ZINC001353316898	832422223	/nfs/dbraw/zinc/42/22/23/832422223.db2.gz	RHHXCZVLUXIBHG-UBHSHLNASA-N	2	0	326.401	-0.624	20	5		EBBDRP
O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1	ZINC000430613409	265150690	/nfs/dbraw/zinc/15/06/90/265150690.db2.gz	WLQJRHNPGQXYTO-CYBMUJFWSA-N	2	0	336.396	-0.065	20	5		EBBDRP
O=[N+]([O-])c1c(N2CC3(C2)CCC[NH2+]C3)ncnc1N1CC[NH2+]CC1	ZINC001159020182	831704448	/nfs/dbraw/zinc/70/44/48/831704448.db2.gz	XVGYUFXBWTVMJD-UHFFFAOYSA-N	2	0	333.396	-0.016	20	5		EBBDRP
C[NH+]1C[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2C1	ZINC001165147598	832206260	/nfs/dbraw/zinc/20/62/60/832206260.db2.gz	JJMHPJPSEXZXBV-VXGBXAGGSA-N	2	0	333.396	-0.208	20	5		EBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1	ZINC001165269855	832209490	/nfs/dbraw/zinc/20/94/90/832209490.db2.gz	SSVQQWTXCWTOMZ-RYUDHWBXSA-N	2	0	349.395	-0.639	20	5		EBBDRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325870680	839964816	/nfs/dbraw/zinc/96/48/16/839964816.db2.gz	HIWJVJOISIZBMI-JSGCOSHPSA-N	2	0	326.401	-0.622	20	5		EBBDRP
C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1	ZINC000571909676	378564464	/nfs/dbraw/zinc/56/44/64/378564464.db2.gz	ANQNMSSJVABGGP-ZFWWWQNUSA-N	2	0	340.428	-0.375	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ncnc1N1CC[NH2+]CC1	ZINC001162790895	832062926	/nfs/dbraw/zinc/06/29/26/832062926.db2.gz	XOHVMBYJQMMJQQ-GRYCIOLGSA-N	2	0	331.380	-0.020	20	5		EBBDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001353312747	832421422	/nfs/dbraw/zinc/42/14/22/832421422.db2.gz	VCYAJMOPHOIGRH-HIFRSBDPSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C	ZINC001353316897	832422067	/nfs/dbraw/zinc/42/20/67/832422067.db2.gz	RHHXCZVLUXIBHG-IACUBPJLSA-N	2	0	326.401	-0.624	20	5		EBBDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001356570778	1130881258	/nfs/dbraw/zinc/88/12/58/1130881258.db2.gz	VJERCATYNJNREC-ZFWWWQNUSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2	ZINC000592181903	377809093	/nfs/dbraw/zinc/80/90/93/377809093.db2.gz	IZPZECZLDWAINC-AWEZNQCLSA-N	2	0	339.396	-0.051	20	5		EBBDRP
O=[N+]([O-])c1cnc(NCc2nnc3n2CCC[NH2+]C3)nc1C1C[NH2+]C1	ZINC001155430098	831405109	/nfs/dbraw/zinc/40/51/09/831405109.db2.gz	DKOWKWNDVQEPCK-UHFFFAOYSA-N	2	0	345.367	-0.232	20	5		EBBDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001353312745	832421546	/nfs/dbraw/zinc/42/15/46/832421546.db2.gz	VCYAJMOPHOIGRH-DZGCQCFKSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000567685334	378184571	/nfs/dbraw/zinc/18/45/71/378184571.db2.gz	ZZYXJLYNSWKYIO-OAHLLOKOSA-N	2	0	340.428	-0.232	20	5		EBBDRP
O=[N+]([O-])c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ncnc1N1CC[NH2+]CC1	ZINC001155509711	831410752	/nfs/dbraw/zinc/41/07/52/831410752.db2.gz	IOLFPUZJNVADMM-NHYWBVRUSA-N	2	0	349.395	-0.558	20	5		EBBDRP
C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1	ZINC001159500261	831757508	/nfs/dbraw/zinc/75/75/08/831757508.db2.gz	WTMKLGHPUJDZFW-WDEREUQCSA-N	2	0	337.384	-0.417	20	5		EBBDRP
C[C@H](CNc1ncc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)n1)[NH+](C)C	ZINC000603280677	379685164	/nfs/dbraw/zinc/68/51/64/379685164.db2.gz	ZREVVSHIAXGRAU-WDEREUQCSA-N	2	0	325.417	-0.047	20	5		EBBDRP
[NH3+]C[C@]1(F)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001157812953	831595260	/nfs/dbraw/zinc/59/52/60/831595260.db2.gz	MNEZLNRWOKQCFZ-CYBMUJFWSA-N	2	0	325.348	-0.329	20	5		EBBDRP
C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174715221	379997606	/nfs/dbraw/zinc/99/76/06/379997606.db2.gz	BCNLWCNAGLCZMM-HNNXBMFYSA-N	2	0	340.428	-0.279	20	5		EBBDRP
O=C([C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CC[NH2+]CC1	ZINC000430607891	265149797	/nfs/dbraw/zinc/14/97/97/265149797.db2.gz	BPTLYGROGRYEMA-CYBMUJFWSA-N	2	0	336.396	-0.065	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncnc1N1CC[NH2+]CC1	ZINC001155502774	831409672	/nfs/dbraw/zinc/40/96/72/831409672.db2.gz	MINTYBFXJOAJIU-GMTAPVOTSA-N	2	0	335.368	-0.807	20	5		EBBDRP
Cc1ncc(C[NH3+])c(=N)n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156825624	831504741	/nfs/dbraw/zinc/50/47/41/831504741.db2.gz	UHISZUVSFIKILV-UHFFFAOYSA-N	2	0	345.367	-0.773	20	5		EBBDRP
[NH3+]C[C@@]1(F)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001157812954	831594899	/nfs/dbraw/zinc/59/48/99/831594899.db2.gz	MNEZLNRWOKQCFZ-ZDUSSCGKSA-N	2	0	325.348	-0.329	20	5		EBBDRP
C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000591739399	377753487	/nfs/dbraw/zinc/75/34/87/377753487.db2.gz	OFPHQGZMCAWITG-AWEZNQCLSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000567685333	378184661	/nfs/dbraw/zinc/18/46/61/378184661.db2.gz	ZZYXJLYNSWKYIO-HNNXBMFYSA-N	2	0	340.428	-0.232	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@H]2C[NH2+]CC[C@H]2F)ncnc1N1CC[NH2+]CC1	ZINC001157446187	831566404	/nfs/dbraw/zinc/56/64/04/831566404.db2.gz	XSPYUSRZDKCAGP-ZJUUUORDSA-N	2	0	325.348	-0.094	20	5		EBBDRP
O=[N+]([O-])c1c(NCc2nnc3n2CCC[NH2+]C3)ncnc1C1C[NH2+]C1	ZINC001163016395	832075861	/nfs/dbraw/zinc/07/58/61/832075861.db2.gz	CPPBLYKEQLUHPF-UHFFFAOYSA-N	2	0	345.367	-0.232	20	5		EBBDRP
C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH+](C)C	ZINC000870023366	1129265112	/nfs/dbraw/zinc/26/51/12/1129265112.db2.gz	VQNHYLRAYBBRGQ-CHWSQXEVSA-N	2	0	338.412	-0.011	20	5		EBBDRP
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1	ZINC000599235476	378211273	/nfs/dbraw/zinc/21/12/73/378211273.db2.gz	NZYNOSYHSXVWNP-UHFFFAOYSA-N	2	0	348.429	-0.558	20	5		EBBDRP
NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000261600240	154193474	/nfs/dbraw/zinc/19/34/74/154193474.db2.gz	BBCVDCNLBUXOAV-CYBMUJFWSA-N	2	0	349.391	-0.019	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2COCCC23C[NH2+]C3)ncnc1N1CC[NH2+]CC1	ZINC001155461057	831407099	/nfs/dbraw/zinc/40/70/99/831407099.db2.gz	HQTULNDYQCMERV-LLVKDONJSA-N	2	0	349.395	-0.415	20	5		EBBDRP
COC(=O)C1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC[NH2+]CC1	ZINC001166946831	832301280	/nfs/dbraw/zinc/30/12/80/832301280.db2.gz	AFGXFUUJPWANEX-UHFFFAOYSA-N	2	0	336.352	-0.221	20	5		EBBDRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001170873985	832530082	/nfs/dbraw/zinc/53/00/82/832530082.db2.gz	OEQOWQVKQMJSKF-NXEZZACHSA-N	2	0	336.352	-0.365	20	5		EBBDRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325870681	839964743	/nfs/dbraw/zinc/96/47/43/839964743.db2.gz	HIWJVJOISIZBMI-OCCSQVGLSA-N	2	0	326.401	-0.622	20	5		EBBDRP
CC[NH+]1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001338450041	842802959	/nfs/dbraw/zinc/80/29/59/842802959.db2.gz	QDYPYSWJLJVOCP-AWEZNQCLSA-N	2	0	326.401	-0.621	20	5		EBBDRP
C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000591739400	377752796	/nfs/dbraw/zinc/75/27/96/377752796.db2.gz	OFPHQGZMCAWITG-CQSZACIVSA-N	2	0	340.428	-0.232	20	5		EBBDRP
NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000261600241	154193535	/nfs/dbraw/zinc/19/35/35/154193535.db2.gz	BBCVDCNLBUXOAV-ZDUSSCGKSA-N	2	0	349.391	-0.019	20	5		EBBDRP
C[N@H+](CCCO)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173754948	419106130	/nfs/dbraw/zinc/10/61/30/419106130.db2.gz	HBPDXISASNJSER-OAHLLOKOSA-N	2	0	341.412	-0.069	20	5		EBBDRP
C[N@H+](C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1)[C@@H]1CCOC1	ZINC001165206058	832206996	/nfs/dbraw/zinc/20/69/96/832206996.db2.gz	QEODRHXQEHQEKE-LLVKDONJSA-N	2	0	334.380	-0.019	20	5		EBBDRP
CN1CC[NH+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001325839360	839953530	/nfs/dbraw/zinc/95/35/30/839953530.db2.gz	CTYYDLGDTISQDV-OAHLLOKOSA-N	2	0	340.428	-0.231	20	5		EBBDRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325870679	839964314	/nfs/dbraw/zinc/96/43/14/839964314.db2.gz	HIWJVJOISIZBMI-GXTWGEPZSA-N	2	0	326.401	-0.622	20	5		EBBDRP
C[NH+]1CCN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001335338399	842262369	/nfs/dbraw/zinc/26/23/69/842262369.db2.gz	RSFHZJLGSHSDFC-CQSZACIVSA-N	2	0	326.401	-0.621	20	5		EBBDRP
C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174715234	379997458	/nfs/dbraw/zinc/99/74/58/379997458.db2.gz	BCNLWCNAGLCZMM-OAHLLOKOSA-N	2	0	340.428	-0.279	20	5		EBBDRP
O=C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC2(CC[NH2+]CC2)N1	ZINC001165257832	832209206	/nfs/dbraw/zinc/20/92/06/832209206.db2.gz	PUXAWLGRKCIYAY-UHFFFAOYSA-N	2	0	347.379	-0.870	20	5		EBBDRP
[NH3+]CCOCCOCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001159452953	831752603	/nfs/dbraw/zinc/75/26/03/831752603.db2.gz	LCRYEHDFFMEHTA-UHFFFAOYSA-N	2	0	326.357	-0.525	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ncnc1N1CC[NH2+]CC1	ZINC001162790896	832063294	/nfs/dbraw/zinc/06/32/94/832063294.db2.gz	XOHVMBYJQMMJQQ-IJLUTSLNSA-N	2	0	331.380	-0.020	20	5		EBBDRP
CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001356570776	1130880949	/nfs/dbraw/zinc/88/09/49/1130880949.db2.gz	VJERCATYNJNREC-HIFRSBDPSA-N	2	0	340.428	-0.232	20	5		EBBDRP
O=C([C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CC[NH2+]CC1	ZINC000430607895	265149839	/nfs/dbraw/zinc/14/98/39/265149839.db2.gz	BPTLYGROGRYEMA-ZDUSSCGKSA-N	2	0	336.396	-0.065	20	5		EBBDRP
O=[N+]([O-])c1c(N[C@H]2COCCC23C[NH2+]C3)ncnc1N1CC[NH2+]CC1	ZINC001155461058	831407239	/nfs/dbraw/zinc/40/72/39/831407239.db2.gz	HQTULNDYQCMERV-NSHDSACASA-N	2	0	349.395	-0.415	20	5		EBBDRP
O=[N+]([O-])c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ncnc1N1CC[NH2+]CC1	ZINC001155483292	831408807	/nfs/dbraw/zinc/40/88/07/831408807.db2.gz	SJOVJQNTBXBXEI-IJLUTSLNSA-N	2	0	349.395	-0.559	20	5		EBBDRP
O=[N+]([O-])c1c(-n2cnc3c2C[NH2+]CC3)ncnc1N1CC[NH2+]CC1	ZINC001164310275	832183835	/nfs/dbraw/zinc/18/38/35/832183835.db2.gz	NYTSZBMKVOGUMY-UHFFFAOYSA-N	2	0	330.352	-0.374	20	5		EBBDRP
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C	ZINC001353316896	832421962	/nfs/dbraw/zinc/42/19/62/832421962.db2.gz	RHHXCZVLUXIBHG-FPMFFAJLSA-N	2	0	326.401	-0.624	20	5		EBBDRP
CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001356570777	1130880694	/nfs/dbraw/zinc/88/06/94/1130880694.db2.gz	VJERCATYNJNREC-UKRRQHHQSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[C@@H](CNc1ncc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)n1)[NH+](C)C	ZINC000603280676	379686316	/nfs/dbraw/zinc/68/63/16/379686316.db2.gz	ZREVVSHIAXGRAU-QWRGUYRKSA-N	2	0	325.417	-0.047	20	5		EBBDRP
O=[N+]([O-])c1c(NC[C@@H]2C[C@H](F)C[NH2+]2)ncnc1N1CC[NH2+]CC1	ZINC001155033762	831381444	/nfs/dbraw/zinc/38/14/44/831381444.db2.gz	PRYCHHXFOBOCMI-UWVGGRQHSA-N	2	0	325.348	-0.094	20	5		EBBDRP
CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001155086258	831384494	/nfs/dbraw/zinc/38/44/94/831384494.db2.gz	HERIOLTYBHXZTN-UHFFFAOYSA-N	2	0	347.335	-0.107	20	5		EBBDRP
CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nc1C[NH3+]	ZINC001163528067	832119647	/nfs/dbraw/zinc/11/96/47/832119647.db2.gz	SHKTXSQTCGXCKG-UHFFFAOYSA-N	2	0	347.335	-0.107	20	5		EBBDRP
O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CC[NH2+]CC1	ZINC000578324089	375987674	/nfs/dbraw/zinc/98/76/74/375987674.db2.gz	OLCLQKOOXUHCCN-UHFFFAOYSA-N	2	0	348.407	-0.066	20	5		EBBDRP
C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2	ZINC000592181905	377807656	/nfs/dbraw/zinc/80/76/56/377807656.db2.gz	IZPZECZLDWAINC-CQSZACIVSA-N	2	0	339.396	-0.051	20	5		EBBDRP
C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001120574079	827247620	/nfs/dbraw/zinc/24/76/20/827247620.db2.gz	JVNRXRAGWAIGES-HNNXBMFYSA-N	2	0	340.428	-0.231	20	5		EBBDRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001159757428	831779337	/nfs/dbraw/zinc/77/93/37/831779337.db2.gz	OPFWSVWCDODNOR-NXEZZACHSA-N	2	0	336.352	-0.365	20	5		EBBDRP
O=[N+]([O-])c1c(NCc2nnn3c2C[NH2+]CCC3)ncnc1C1C[NH2+]C1	ZINC001162971524	832073741	/nfs/dbraw/zinc/07/37/41/832073741.db2.gz	HRKSCVHCWLYZDL-UHFFFAOYSA-N	2	0	345.367	-0.232	20	5		EBBDRP
C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC001356584364	1130881640	/nfs/dbraw/zinc/88/16/40/1130881640.db2.gz	NHACRLQEPZFGSD-TZMCWYRMSA-N	2	0	326.401	-0.622	20	5		EBBDRP
C[N@H+](C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1)[C@H]1CCOC1	ZINC001158734672	831682047	/nfs/dbraw/zinc/68/20/47/831682047.db2.gz	QEODRHXQEHQEKE-NSHDSACASA-N	2	0	334.380	-0.019	20	5		EBBDRP
CNC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001163444878	832115301	/nfs/dbraw/zinc/11/53/01/832115301.db2.gz	BHYGSBALLBDYDZ-JTQLQIEISA-N	2	0	337.384	-0.273	20	5		EBBDRP
C[NH+]1C[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]2C1	ZINC001165147591	832206445	/nfs/dbraw/zinc/20/64/45/832206445.db2.gz	JJMHPJPSEXZXBV-RYUDHWBXSA-N	2	0	333.396	-0.208	20	5		EBBDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001353312752	832421362	/nfs/dbraw/zinc/42/13/62/832421362.db2.gz	VCYAJMOPHOIGRH-ZFWWWQNUSA-N	2	0	340.428	-0.232	20	5		EBBDRP
C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC001356584362	1130882051	/nfs/dbraw/zinc/88/20/51/1130882051.db2.gz	NHACRLQEPZFGSD-JSGCOSHPSA-N	2	0	326.401	-0.622	20	5		EBBDRP
COCCN1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582176239	381504525	/nfs/dbraw/zinc/50/45/25/381504525.db2.gz	JKVNVXSJKKUJMD-JSGCOSHPSA-N	2	0	327.385	-0.147	20	5		EBBDRP
COC(=O)C1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH2+]CC1	ZINC001156537517	831481634	/nfs/dbraw/zinc/48/16/34/831481634.db2.gz	SIHSSEHCILALCQ-UHFFFAOYSA-N	2	0	336.352	-0.221	20	5		EBBDRP
Cc1nc(CC[NH3+])nn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158129541	831632024	/nfs/dbraw/zinc/63/20/24/831632024.db2.gz	WOSIIPIVOBSPJI-UHFFFAOYSA-N	2	0	333.356	-0.815	20	5		EBBDRP
[NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CN2CCC1CC2	ZINC001160518011	831859989	/nfs/dbraw/zinc/85/99/89/831859989.db2.gz	UDWOVRVZDPJRAC-HNNXBMFYSA-N	2	0	333.396	-0.093	20	5		EBBDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001353312749	832421344	/nfs/dbraw/zinc/42/13/44/832421344.db2.gz	VCYAJMOPHOIGRH-UKRRQHHQSA-N	2	0	340.428	-0.232	20	5		EBBDRP