smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900132	917119432	/nfs/dbraw/zinc/11/94/32/917119432.db2.gz	BZWVUBSDVOURKO-GHMZBOCLSA-N	1	1	313.314	-1.272	20	5		DABDMO
NC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900132	917119436	/nfs/dbraw/zinc/11/94/36/917119436.db2.gz	BZWVUBSDVOURKO-GHMZBOCLSA-N	1	1	313.314	-1.272	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1	ZINC001449090322	929537399	/nfs/dbraw/zinc/53/73/99/929537399.db2.gz	SBGWYSWRNXKIHP-VHSXEESVSA-N	1	1	310.314	-1.146	20	5		DABDMO
C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CO)C1	ZINC001557710530	930084043	/nfs/dbraw/zinc/08/40/43/930084043.db2.gz	DXGUNEHBFDBPMU-LLVKDONJSA-N	1	1	310.310	-1.109	20	5		DABDMO
C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CO)C1	ZINC001557710530	930084046	/nfs/dbraw/zinc/08/40/46/930084046.db2.gz	DXGUNEHBFDBPMU-LLVKDONJSA-N	1	1	310.310	-1.109	20	5		DABDMO
C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285466	782097918	/nfs/dbraw/zinc/09/79/18/782097918.db2.gz	MUSPDQBNALTITL-GRYCIOLGSA-N	1	1	300.315	-1.030	20	5		DABDMO
C[C@]1(CO)C[C@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285472	782100241	/nfs/dbraw/zinc/10/02/41/782100241.db2.gz	MUSPDQBNALTITL-SDDRHHMPSA-N	1	1	300.315	-1.030	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)c1	ZINC000347330476	545762715	/nfs/dbraw/zinc/76/27/15/545762715.db2.gz	JDVQSYVUYRYBTP-JFGNBEQYSA-N	1	1	300.315	-1.030	20	5		DABDMO
CN1CC[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001115894069	782654721	/nfs/dbraw/zinc/65/47/21/782654721.db2.gz	XDHWXHIMRMCRKV-UHFFFAOYSA-N	1	1	311.346	-1.060	20	5		DABDMO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126939425	775666755	/nfs/dbraw/zinc/66/67/55/775666755.db2.gz	XYMDGXFKBQJMNM-RKDXNWHRSA-N	1	1	308.360	-1.703	20	5		DABDMO
Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086083300	776240627	/nfs/dbraw/zinc/24/06/27/776240627.db2.gz	UFVUCFFDNALBNW-UTINFBMNSA-N	1	1	309.330	-1.140	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCn1cnnn1	ZINC001135684560	776766605	/nfs/dbraw/zinc/76/66/05/776766605.db2.gz	MSXPWCYWTOWFEG-UHFFFAOYSA-N	1	1	323.317	-1.389	20	5		DABDMO
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1	ZINC001302503523	778096147	/nfs/dbraw/zinc/09/61/47/778096147.db2.gz	KBVPDLGNVLQKCX-GFCCVEGCSA-N	1	1	313.314	-1.108	20	5		DABDMO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@]1(CO)COCC[NH2+]1	ZINC001151817170	779684173	/nfs/dbraw/zinc/68/41/73/779684173.db2.gz	LOPZNMQLSBBRDV-LBPRGKRZSA-N	1	1	313.314	-1.352	20	5		DABDMO
O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157775376	779758690	/nfs/dbraw/zinc/75/86/90/779758690.db2.gz	QBFJPJROCWQBIJ-NXEZZACHSA-N	1	1	312.326	-1.104	20	5		DABDMO
[NH3+][C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@H]2NCN[C@@H]21	ZINC001162436097	779852491	/nfs/dbraw/zinc/85/24/91/779852491.db2.gz	HVBXNYAGDNRAJA-ATRFCDNQSA-N	1	1	300.710	-1.465	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21	ZINC001162436343	779853223	/nfs/dbraw/zinc/85/32/23/779853223.db2.gz	KGKIMFQBAGVVOM-MRTMQBJTSA-N	1	1	310.274	-1.605	20	5		DABDMO
Cc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162437578	779853877	/nfs/dbraw/zinc/85/38/77/779853877.db2.gz	VFPSMIHZWABPAU-APQOSEDMSA-N	1	1	314.737	-1.156	20	5		DABDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1	ZINC001162438097	779855858	/nfs/dbraw/zinc/85/58/58/779855858.db2.gz	WWEVWFPPFOBZMO-HFHMMWAZSA-N	1	1	314.737	-1.156	20	5		DABDMO
COc1cc(C)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441207	779857191	/nfs/dbraw/zinc/85/71/91/779857191.db2.gz	XLPATTRGVIMCED-MIMYLULJSA-N	1	1	309.330	-1.196	20	5		DABDMO
COc1nc(N2CC[NH2+][C@H](C(N)=O)C2)nc(OC)c1[N+](=O)[O-]	ZINC001166725045	779892254	/nfs/dbraw/zinc/89/22/54/779892254.db2.gz	HQIDKOPRLLFVIF-LURJTMIESA-N	1	1	312.286	-1.335	20	5		DABDMO
C[N@@H+]1CCO[C@@H](COCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224800367	780324637	/nfs/dbraw/zinc/32/46/37/780324637.db2.gz	PJMAQHZSIRFJGV-SECBINFHSA-N	1	1	318.286	-1.575	20	5		DABDMO
C[N@H+]1CCO[C@@H](COCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224800367	780324650	/nfs/dbraw/zinc/32/46/50/780324650.db2.gz	PJMAQHZSIRFJGV-SECBINFHSA-N	1	1	318.286	-1.575	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1	ZINC001256176305	780508360	/nfs/dbraw/zinc/50/83/60/780508360.db2.gz	UIXLNQWQEBTKLZ-MVWJERBFSA-N	1	1	300.315	-1.173	20	5		DABDMO
CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001323443354	916724345	/nfs/dbraw/zinc/72/43/45/916724345.db2.gz	RGRPOOAKIWHIQH-RKDXNWHRSA-N	1	1	320.371	-1.561	20	5		DABDMO
CN1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001336713124	917604535	/nfs/dbraw/zinc/60/45/35/917604535.db2.gz	ONTPJZPLZCXDKC-ZDUSSCGKSA-N	1	1	312.374	-1.011	20	5		DABDMO
C[NH+]1CCN(C(=O)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001350869010	918074851	/nfs/dbraw/zinc/07/48/51/918074851.db2.gz	WFJPEZFXVPYLPZ-UHFFFAOYSA-N	1	1	310.314	-1.319	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)n1	ZINC000599106843	373035263	/nfs/dbraw/zinc/03/52/63/373035263.db2.gz	HWWLOSXFIIAOQA-QMMMGPOBSA-N	1	1	319.343	-1.015	20	5		DABDMO
O=C1NC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000175889729	263230086	/nfs/dbraw/zinc/23/00/86/263230086.db2.gz	YTEQBGSLWXEIIU-KOLCDFICSA-N	1	1	310.314	-1.138	20	5		DABDMO
O=C1NC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000175889729	263230087	/nfs/dbraw/zinc/23/00/87/263230087.db2.gz	YTEQBGSLWXEIIU-KOLCDFICSA-N	1	1	310.314	-1.138	20	5		DABDMO
C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285470	782099903	/nfs/dbraw/zinc/09/99/03/782099903.db2.gz	MUSPDQBNALTITL-IJLUTSLNSA-N	1	1	300.315	-1.030	20	5		DABDMO
O=C1NC[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000247332490	527077554	/nfs/dbraw/zinc/07/75/54/527077554.db2.gz	YTEQBGSLWXEIIU-ONGXEEELSA-N	1	1	310.314	-1.138	20	5		DABDMO
O=C1NC[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000247332490	527077558	/nfs/dbraw/zinc/07/75/58/527077558.db2.gz	YTEQBGSLWXEIIU-ONGXEEELSA-N	1	1	310.314	-1.138	20	5		DABDMO
C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1	ZINC000340675844	536405168	/nfs/dbraw/zinc/40/51/68/536405168.db2.gz	MPBBBJAWXOBMDP-UHFFFAOYSA-N	1	1	323.309	-1.371	20	5		DABDMO
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001058707894	677686986	/nfs/dbraw/zinc/68/69/86/677686986.db2.gz	SEZQXDLZKBNSJL-GHMZBOCLSA-N	1	1	316.358	-1.460	20	5		DABDMO
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001045713597	678470131	/nfs/dbraw/zinc/47/01/31/678470131.db2.gz	LKFGSIMYDZEWNZ-NXEZZACHSA-N	1	1	314.342	-1.707	20	5		DABDMO
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001057544396	678728161	/nfs/dbraw/zinc/72/81/61/678728161.db2.gz	BMBKJHWAENZEHS-GHMZBOCLSA-N	1	1	316.358	-1.460	20	5		DABDMO
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001200462366	782198953	/nfs/dbraw/zinc/19/89/53/782198953.db2.gz	YBQDXZNZEANMCY-RKDXNWHRSA-N	1	1	313.314	-1.573	20	5		DABDMO
NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001098366206	782442052	/nfs/dbraw/zinc/44/20/52/782442052.db2.gz	WYCZYJIYPIICDL-GHMZBOCLSA-N	1	1	314.342	-1.578	20	5		DABDMO
NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001098366206	782442054	/nfs/dbraw/zinc/44/20/54/782442054.db2.gz	WYCZYJIYPIICDL-GHMZBOCLSA-N	1	1	314.342	-1.578	20	5		DABDMO
NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001098366206	782442064	/nfs/dbraw/zinc/44/20/64/782442064.db2.gz	WYCZYJIYPIICDL-GHMZBOCLSA-N	1	1	314.342	-1.578	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CN1CN=NC1=O	ZINC001126021828	775320620	/nfs/dbraw/zinc/32/06/20/775320620.db2.gz	QLZQDHUHHHXLLM-UHFFFAOYSA-N	1	1	324.301	-1.469	20	5		DABDMO
CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126939195	775666141	/nfs/dbraw/zinc/66/61/41/775666141.db2.gz	RAAMFYPPBMHWKS-NXEZZACHSA-N	1	1	322.387	-1.361	20	5		DABDMO
O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126938681	775666101	/nfs/dbraw/zinc/66/61/01/775666101.db2.gz	GNTJPSQXKFJKPX-RKDXNWHRSA-N	1	1	313.314	-1.701	20	5		DABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)C1	ZINC001126936688	775666904	/nfs/dbraw/zinc/66/69/04/775666904.db2.gz	QOLSHZFVFSOWQO-RKDXNWHRSA-N	1	1	313.314	-2.684	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cn1nccn1	ZINC001128268975	775939238	/nfs/dbraw/zinc/93/92/38/775939238.db2.gz	FTJODJUJWGHUEW-UHFFFAOYSA-N	1	1	308.302	-1.174	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C(N)=O)CC1	ZINC001133185150	776659384	/nfs/dbraw/zinc/65/93/84/776659384.db2.gz	WJMSYWWVNPBORU-UHFFFAOYSA-N	1	1	310.314	-1.200	20	5		DABDMO
Cn1ncc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001135283017	776747449	/nfs/dbraw/zinc/74/74/49/776747449.db2.gz	GAVQAJINJRTRAK-UHFFFAOYSA-N	1	1	308.302	-1.024	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	ZINC001303190403	778097359	/nfs/dbraw/zinc/09/73/59/778097359.db2.gz	PVQZJTZKQSZJJX-VHSXEESVSA-N	1	1	310.314	-1.146	20	5		DABDMO
C[NH+]1CCN(C(=O)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001305896091	778100429	/nfs/dbraw/zinc/10/04/29/778100429.db2.gz	OASYOTDHIKQHGV-UHFFFAOYSA-N	1	1	311.302	-1.924	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cn1cncn1	ZINC001150250047	779652012	/nfs/dbraw/zinc/65/20/12/779652012.db2.gz	NAPNGWUQZOAXHZ-UHFFFAOYSA-N	1	1	308.302	-1.174	20	5		DABDMO
O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1	ZINC001157767146	779758718	/nfs/dbraw/zinc/75/87/18/779758718.db2.gz	ICWIKPBSKMVKSE-GHMZBOCLSA-N	1	1	314.342	-1.394	20	5		DABDMO
COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767853	779758893	/nfs/dbraw/zinc/75/88/93/779758893.db2.gz	XVUUNHHYEQOHGH-GHMZBOCLSA-N	1	1	316.358	-1.100	20	5		DABDMO
CN(CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O	ZINC001157767283	779759025	/nfs/dbraw/zinc/75/90/25/779759025.db2.gz	KURJROFZGSJPQY-NXEZZACHSA-N	1	1	322.387	-1.361	20	5		DABDMO
CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767547	779759042	/nfs/dbraw/zinc/75/90/42/779759042.db2.gz	QGXXCZDNXHSEPZ-RKDXNWHRSA-N	1	1	315.330	-1.407	20	5		DABDMO
[NH3+][C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21	ZINC001162436105	779851757	/nfs/dbraw/zinc/85/17/57/779851757.db2.gz	HVBXNYAGDNRAJA-JKMUOGBPSA-N	1	1	300.710	-1.465	20	5		DABDMO
[NH3+][C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@H]2NCN[C@H]21	ZINC001162436107	779853302	/nfs/dbraw/zinc/85/33/02/779853302.db2.gz	HVBXNYAGDNRAJA-SHYZEUOFSA-N	1	1	300.710	-1.465	20	5		DABDMO
Cc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162437580	779853605	/nfs/dbraw/zinc/85/36/05/779853605.db2.gz	VFPSMIHZWABPAU-DTLFHODZSA-N	1	1	314.737	-1.156	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2NCN[C@@H]21	ZINC001162439717	779855487	/nfs/dbraw/zinc/85/54/87/779855487.db2.gz	ODFIXXZJHKTULI-IJLUTSLNSA-N	1	1	304.314	-1.032	20	5		DABDMO
O=C(NCCN1CC[NH+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001316963380	916247370	/nfs/dbraw/zinc/24/73/70/916247370.db2.gz	MVLKFKFTOBCYDD-VXGBXAGGSA-N	1	1	300.359	-1.232	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(C[NH+]2CCOCC2)C1	ZINC001328396423	917083656	/nfs/dbraw/zinc/08/36/56/917083656.db2.gz	YGQRLKUITVDTNJ-UHFFFAOYSA-N	1	1	310.314	-1.023	20	5		DABDMO
NC(=O)C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900134	917119829	/nfs/dbraw/zinc/11/98/29/917119829.db2.gz	BZWVUBSDVOURKO-MNOVXSKESA-N	1	1	313.314	-1.272	20	5		DABDMO
NC(=O)C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900134	917119831	/nfs/dbraw/zinc/11/98/31/917119831.db2.gz	BZWVUBSDVOURKO-MNOVXSKESA-N	1	1	313.314	-1.272	20	5		DABDMO
COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001343896154	917813810	/nfs/dbraw/zinc/81/38/10/917813810.db2.gz	QBUNZMKEKUAWNL-UWVGGRQHSA-N	1	1	301.303	-1.416	20	5		DABDMO
COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001343896154	917813827	/nfs/dbraw/zinc/81/38/27/917813827.db2.gz	QBUNZMKEKUAWNL-UWVGGRQHSA-N	1	1	301.303	-1.416	20	5		DABDMO
COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001343896170	917814577	/nfs/dbraw/zinc/81/45/77/917814577.db2.gz	QBUNZMKEKUAWNL-ZJUUUORDSA-N	1	1	301.303	-1.416	20	5		DABDMO
COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001343896170	917814586	/nfs/dbraw/zinc/81/45/86/917814586.db2.gz	QBUNZMKEKUAWNL-ZJUUUORDSA-N	1	1	301.303	-1.416	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)n1	ZINC000599100706	373034605	/nfs/dbraw/zinc/03/46/05/373034605.db2.gz	MAAGCNOYJRIEDA-ZETCQYMHSA-N	1	1	305.316	-1.405	20	5		DABDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000358073494	409682280	/nfs/dbraw/zinc/68/22/80/409682280.db2.gz	PXGLCRIGPIEOTD-CYBMUJFWSA-N	1	1	310.310	-1.061	20	5		DABDMO
Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000996429236	663486602	/nfs/dbraw/zinc/48/66/02/663486602.db2.gz	NCDKCDFYXMUQAN-NXEZZACHSA-N	1	1	309.330	-1.044	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1	ZINC001049021553	678571739	/nfs/dbraw/zinc/57/17/39/678571739.db2.gz	XXUBOOYKBGSALV-DTORHVGOSA-N	1	1	322.325	-1.296	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1	ZINC001049021553	678571741	/nfs/dbraw/zinc/57/17/41/678571741.db2.gz	XXUBOOYKBGSALV-DTORHVGOSA-N	1	1	322.325	-1.296	20	5		DABDMO
Cn1nccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001272161704	775642708	/nfs/dbraw/zinc/64/27/08/775642708.db2.gz	AELWOVBXICYTIH-VXGBXAGGSA-N	1	1	311.342	-1.004	20	5		DABDMO
CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936857	775665541	/nfs/dbraw/zinc/66/55/41/775665541.db2.gz	VBUZIDHPKVZDBC-RKDXNWHRSA-N	1	1	315.330	-1.407	20	5		DABDMO
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936649	775667029	/nfs/dbraw/zinc/66/70/29/775667029.db2.gz	OLMHSPBUMBPIIB-HTQZYQBOSA-N	1	1	301.303	-1.797	20	5		DABDMO
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1	ZINC001302503524	778096746	/nfs/dbraw/zinc/09/67/46/778096746.db2.gz	KBVPDLGNVLQKCX-LBPRGKRZSA-N	1	1	313.314	-1.108	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC001308021030	778102329	/nfs/dbraw/zinc/10/23/29/778102329.db2.gz	DFMYQKIYKZNWDC-JFGNBEQYSA-N	1	1	300.315	-1.315	20	5		DABDMO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)N1CC[NH+](C)CC1	ZINC001124080536	779590630	/nfs/dbraw/zinc/59/06/30/779590630.db2.gz	PWBFGAYHSVBYEA-UHFFFAOYSA-N	1	1	324.341	-1.010	20	5		DABDMO
CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767260	779758675	/nfs/dbraw/zinc/75/86/75/779758675.db2.gz	KBVDIBGCJVTUMK-VXGBXAGGSA-N	1	1	316.358	-1.100	20	5		DABDMO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)N1CC[NH+](C)CC1	ZINC001159915944	779798691	/nfs/dbraw/zinc/79/86/91/779798691.db2.gz	MQJQUMSORUMKHM-UHFFFAOYSA-N	1	1	324.341	-1.010	20	5		DABDMO
[NH3+][C@@H]1NCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21	ZINC001162438026	779853853	/nfs/dbraw/zinc/85/38/53/779853853.db2.gz	FJJCWGHJQMUUGB-DRTBCBBWSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2NCN[C@H]21	ZINC001162437664	779854243	/nfs/dbraw/zinc/85/42/43/779854243.db2.gz	CMVWRFAHJPZITD-IVZWLZJFSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2NCN[C@@H]21	ZINC001162439720	779855810	/nfs/dbraw/zinc/85/58/10/779855810.db2.gz	ODFIXXZJHKTULI-UTUOFQBUSA-N	1	1	304.314	-1.032	20	5		DABDMO
COc1cc(C)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162441204	779857160	/nfs/dbraw/zinc/85/71/60/779857160.db2.gz	XLPATTRGVIMCED-DVVUODLYSA-N	1	1	309.330	-1.196	20	5		DABDMO
CCOc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162445546	779858767	/nfs/dbraw/zinc/85/87/67/779858767.db2.gz	FIUGULLXNVBEJY-VWYCJHECSA-N	1	1	309.330	-1.115	20	5		DABDMO
CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001265538882	780603781	/nfs/dbraw/zinc/60/37/81/780603781.db2.gz	PABZLXHLGMNBHS-UTINFBMNSA-N	1	1	305.356	-1.067	20	5		DABDMO
Cn1cnc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001126678095	916140641	/nfs/dbraw/zinc/14/06/41/916140641.db2.gz	MOKUAXHGVSGWSX-UHFFFAOYSA-N	1	1	308.302	-1.024	20	5		DABDMO
C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001138062001	916143108	/nfs/dbraw/zinc/14/31/08/916143108.db2.gz	WPYHYAXJXNVVSX-ZDUSSCGKSA-N	1	1	310.310	-1.061	20	5		DABDMO
NC(=O)C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900135	917119717	/nfs/dbraw/zinc/11/97/17/917119717.db2.gz	BZWVUBSDVOURKO-QWRGUYRKSA-N	1	1	313.314	-1.272	20	5		DABDMO
NC(=O)C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900135	917119721	/nfs/dbraw/zinc/11/97/21/917119721.db2.gz	BZWVUBSDVOURKO-QWRGUYRKSA-N	1	1	313.314	-1.272	20	5		DABDMO
C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](CO)C1	ZINC001557710540	930083718	/nfs/dbraw/zinc/08/37/18/930083718.db2.gz	DXGUNEHBFDBPMU-NSHDSACASA-N	1	1	310.310	-1.109	20	5		DABDMO
C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](CO)C1	ZINC001557710540	930083729	/nfs/dbraw/zinc/08/37/29/930083729.db2.gz	DXGUNEHBFDBPMU-NSHDSACASA-N	1	1	310.310	-1.109	20	5		DABDMO
C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1	ZINC000347228134	545761227	/nfs/dbraw/zinc/76/12/27/545761227.db2.gz	XAVUAWHSRRWRFE-IEBDPFPHSA-N	1	1	313.314	-1.273	20	5		DABDMO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000600808194	372845921	/nfs/dbraw/zinc/84/59/21/372845921.db2.gz	LWQHXXBINVDREM-NSHDSACASA-N	1	1	310.310	-1.061	20	5		DABDMO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CCO)CC1	ZINC000264402458	372931834	/nfs/dbraw/zinc/93/18/34/372931834.db2.gz	VZZOIFUEKHFQGF-UHFFFAOYSA-N	1	1	310.310	-1.107	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594027988	372987907	/nfs/dbraw/zinc/98/79/07/372987907.db2.gz	YGBGLHFNQBIWHX-UHTWSYAYSA-N	1	1	311.342	-1.097	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)n1	ZINC000599106840	373035520	/nfs/dbraw/zinc/03/55/20/373035520.db2.gz	HWWLOSXFIIAOQA-MRVPVSSYSA-N	1	1	319.343	-1.015	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC[NH2+]CC2)n1	ZINC000599098474	373035676	/nfs/dbraw/zinc/03/56/76/373035676.db2.gz	VNJPGQUMRSQKKJ-UHFFFAOYSA-N	1	1	318.359	-1.488	20	5		DABDMO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000600534186	373688795	/nfs/dbraw/zinc/68/87/95/373688795.db2.gz	LWQHXXBINVDREM-LLVKDONJSA-N	1	1	310.310	-1.061	20	5		DABDMO
COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O	ZINC000441304138	263222541	/nfs/dbraw/zinc/22/25/41/263222541.db2.gz	QSXJHGDJNGTIMR-MWLCHTKSSA-N	1	1	315.330	-1.026	20	5		DABDMO
O=C1NC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000175889710	263316140	/nfs/dbraw/zinc/31/61/40/263316140.db2.gz	YTEQBGSLWXEIIU-MWLCHTKSSA-N	1	1	310.314	-1.138	20	5		DABDMO
O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000175889710	263316143	/nfs/dbraw/zinc/31/61/43/263316143.db2.gz	YTEQBGSLWXEIIU-MWLCHTKSSA-N	1	1	310.314	-1.138	20	5		DABDMO
C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1	ZINC000347228134	545761222	/nfs/dbraw/zinc/76/12/22/545761222.db2.gz	XAVUAWHSRRWRFE-IEBDPFPHSA-N	1	1	313.314	-1.273	20	5		DABDMO
Cn1nncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001272162066	775643392	/nfs/dbraw/zinc/64/33/92/775643392.db2.gz	FYLBYEJXOYJAST-GHMZBOCLSA-N	1	1	312.330	-1.609	20	5		DABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NC1CC1	ZINC001126936206	775664405	/nfs/dbraw/zinc/66/44/05/775664405.db2.gz	ANOFQNOZDBACQD-RKDXNWHRSA-N	1	1	313.314	-1.654	20	5		DABDMO
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH+](CCO)CCO)CC1	ZINC001098364758	776203633	/nfs/dbraw/zinc/20/36/33/776203633.db2.gz	BUEBAZIQMFXRRI-VXGBXAGGSA-N	1	1	301.343	-1.071	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC001308021031	778102472	/nfs/dbraw/zinc/10/24/72/778102472.db2.gz	DFMYQKIYKZNWDC-UMNHJUIQSA-N	1	1	300.315	-1.315	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CS(C)(=O)=O	ZINC001124355424	779595696	/nfs/dbraw/zinc/59/56/96/779595696.db2.gz	FYGYYYHBFPYBRN-UHFFFAOYSA-N	1	1	319.343	-1.421	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCNC(N)=O	ZINC001150423962	779657484	/nfs/dbraw/zinc/65/74/84/779657484.db2.gz	NEABHGFEQDOXJX-UHFFFAOYSA-N	1	1	313.318	-1.408	20	5		DABDMO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(CO)COCC[NH2+]1	ZINC001151818124	779683547	/nfs/dbraw/zinc/68/35/47/779683547.db2.gz	YCQVUCQDFKNSEW-LBPRGKRZSA-N	1	1	313.314	-1.433	20	5		DABDMO
Cc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162437582	779853248	/nfs/dbraw/zinc/85/32/48/779853248.db2.gz	VFPSMIHZWABPAU-GEVIPFJHSA-N	1	1	314.737	-1.156	20	5		DABDMO
Cc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162437584	779853342	/nfs/dbraw/zinc/85/33/42/779853342.db2.gz	VFPSMIHZWABPAU-MHSYXAOVSA-N	1	1	314.737	-1.156	20	5		DABDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21	ZINC001162436239	779853866	/nfs/dbraw/zinc/85/38/66/779853866.db2.gz	JBKKBFFFCCOEHF-WCABBAIRSA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21	ZINC001162436240	779854338	/nfs/dbraw/zinc/85/43/38/779854338.db2.gz	JBKKBFFFCCOEHF-YWVKMMECSA-N	1	1	323.313	-1.727	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2NCN[C@H]21	ZINC001162439718	779855678	/nfs/dbraw/zinc/85/56/78/779855678.db2.gz	ODFIXXZJHKTULI-QJPTWQEYSA-N	1	1	304.314	-1.032	20	5		DABDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1	ZINC001162438100	779855779	/nfs/dbraw/zinc/85/57/79/779855779.db2.gz	WWEVWFPPFOBZMO-YRZRMSQOSA-N	1	1	314.737	-1.156	20	5		DABDMO
COc1cc(C)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162441205	779856761	/nfs/dbraw/zinc/85/67/61/779856761.db2.gz	XLPATTRGVIMCED-INTQDDNPSA-N	1	1	309.330	-1.196	20	5		DABDMO
CCOc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162445544	779858015	/nfs/dbraw/zinc/85/80/15/779858015.db2.gz	FIUGULLXNVBEJY-OUAUKWLOSA-N	1	1	309.330	-1.115	20	5		DABDMO
CCOc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162445542	779859218	/nfs/dbraw/zinc/85/92/18/779859218.db2.gz	FIUGULLXNVBEJY-DCAQKATOSA-N	1	1	309.330	-1.115	20	5		DABDMO
CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001264985192	780590048	/nfs/dbraw/zinc/59/00/48/780590048.db2.gz	PNAJCZNLJYOFJI-RKDXNWHRSA-N	1	1	315.330	-1.455	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1	ZINC001171229183	781387048	/nfs/dbraw/zinc/38/70/48/781387048.db2.gz	IYHXJEFUUPHEMZ-WCQGTBRESA-N	1	1	300.315	-1.173	20	5		DABDMO
CN1CCN(C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1	ZINC001348957299	917983860	/nfs/dbraw/zinc/98/38/60/917983860.db2.gz	FSEJYZAXHFZLDT-CYBMUJFWSA-N	1	1	312.374	-1.011	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1	ZINC001449090294	929536746	/nfs/dbraw/zinc/53/67/46/929536746.db2.gz	SBGWYSWRNXKIHP-NXEZZACHSA-N	1	1	310.314	-1.146	20	5		DABDMO
C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1	ZINC000347228138	545761834	/nfs/dbraw/zinc/76/18/34/545761834.db2.gz	XAVUAWHSRRWRFE-MIMYLULJSA-N	1	1	313.314	-1.273	20	5		DABDMO
C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1	ZINC000347228138	545761841	/nfs/dbraw/zinc/76/18/41/545761841.db2.gz	XAVUAWHSRRWRFE-MIMYLULJSA-N	1	1	313.314	-1.273	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594027987	372988391	/nfs/dbraw/zinc/98/83/91/372988391.db2.gz	YGBGLHFNQBIWHX-CYZMBNFOSA-N	1	1	311.342	-1.097	20	5		DABDMO
C[NH2+]CCOCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599107213	373037119	/nfs/dbraw/zinc/03/71/19/373037119.db2.gz	KOMYACACNZUMSE-UHFFFAOYSA-N	1	1	307.332	-1.157	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)c1	ZINC000347330478	263286447	/nfs/dbraw/zinc/28/64/47/263286447.db2.gz	JDVQSYVUYRYBTP-UMNHJUIQSA-N	1	1	300.315	-1.030	20	5		DABDMO
O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001020140062	662537962	/nfs/dbraw/zinc/53/79/62/662537962.db2.gz	WLKCPACSUTZMHC-GWOFURMSSA-N	1	1	311.342	-1.086	20	5		DABDMO
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001042976729	678359082	/nfs/dbraw/zinc/35/90/82/678359082.db2.gz	QYWORVONVANVFC-NXEZZACHSA-N	1	1	314.342	-1.707	20	5		DABDMO
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001276002457	782327471	/nfs/dbraw/zinc/32/74/71/782327471.db2.gz	RMTAUNGJOIXTOJ-RKDXNWHRSA-N	1	1	315.330	-1.455	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnnn1C	ZINC001126540783	775532347	/nfs/dbraw/zinc/53/23/47/775532347.db2.gz	IIICAFHKYRJPGG-UHFFFAOYSA-N	1	1	308.302	-1.024	20	5		DABDMO
Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1	ZINC001272162707	775642660	/nfs/dbraw/zinc/64/26/60/775642660.db2.gz	RHEUVQVYQAHVET-VXGBXAGGSA-N	1	1	311.342	-1.004	20	5		DABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1	ZINC001126936471	775666896	/nfs/dbraw/zinc/66/68/96/775666896.db2.gz	JPRLLIALWHORKC-NXEZZACHSA-N	1	1	300.315	-1.784	20	5		DABDMO
CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157775834	779758930	/nfs/dbraw/zinc/75/89/30/779758930.db2.gz	ZMCWHCMYIQJVCU-RKDXNWHRSA-N	1	1	308.360	-1.703	20	5		DABDMO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767037	779758944	/nfs/dbraw/zinc/75/89/44/779758944.db2.gz	DTOSIZILIVNHRD-HTQZYQBOSA-N	1	1	301.303	-1.797	20	5		DABDMO
[NH3+][C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@H]21	ZINC001162436103	779852041	/nfs/dbraw/zinc/85/20/41/779852041.db2.gz	HVBXNYAGDNRAJA-BBVRLYRLSA-N	1	1	300.710	-1.465	20	5		DABDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21	ZINC001162436238	779853068	/nfs/dbraw/zinc/85/30/68/779853068.db2.gz	JBKKBFFFCCOEHF-QXEWZRGKSA-N	1	1	323.313	-1.727	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2NCN[C@H]21	ZINC001162436346	779853352	/nfs/dbraw/zinc/85/33/52/779853352.db2.gz	KGKIMFQBAGVVOM-XKSSXDPKSA-N	1	1	310.274	-1.605	20	5		DABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2NCN[C@@H]21	ZINC001162437666	779853713	/nfs/dbraw/zinc/85/37/13/779853713.db2.gz	CMVWRFAHJPZITD-OPRDCNLKSA-N	1	1	315.721	-1.622	20	5		DABDMO
COC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441437	779856724	/nfs/dbraw/zinc/85/67/24/779856724.db2.gz	XSFHZWBDOGWAGA-HGNGGELXSA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441438	779857350	/nfs/dbraw/zinc/85/73/50/779857350.db2.gz	XSFHZWBDOGWAGA-JEZHCXPESA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1	ZINC001162445437	779858178	/nfs/dbraw/zinc/85/81/78/779858178.db2.gz	UPFPDLBQBQOMGY-YWVKMMECSA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1	ZINC001162445436	779858282	/nfs/dbraw/zinc/85/82/82/779858282.db2.gz	UPFPDLBQBQOMGY-WCABBAIRSA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1	ZINC001162445435	779858502	/nfs/dbraw/zinc/85/85/02/779858502.db2.gz	UPFPDLBQBQOMGY-QXEWZRGKSA-N	1	1	323.313	-1.727	20	5		DABDMO
CCOc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162445543	779859187	/nfs/dbraw/zinc/85/91/87/779859187.db2.gz	FIUGULLXNVBEJY-GARJFASQSA-N	1	1	309.330	-1.115	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1	ZINC001256176296	780508240	/nfs/dbraw/zinc/50/82/40/780508240.db2.gz	UIXLNQWQEBTKLZ-JLLWLGSASA-N	1	1	300.315	-1.173	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1nc[nH]n1	ZINC001147278212	781437482	/nfs/dbraw/zinc/43/74/82/781437482.db2.gz	VSMCKLMGKXENBF-UHFFFAOYSA-N	1	1	308.302	-1.105	20	5		DABDMO
CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001317584363	916328524	/nfs/dbraw/zinc/32/85/24/916328524.db2.gz	AHBOCEWKEPEULY-RKDXNWHRSA-N	1	1	313.314	-1.749	20	5		DABDMO
O=C(NCC1([NH2+]CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001323440660	916725222	/nfs/dbraw/zinc/72/52/22/916725222.db2.gz	BYTRAOBYCHRJLY-NXEZZACHSA-N	1	1	311.342	-1.085	20	5		DABDMO
CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001326024046	916884807	/nfs/dbraw/zinc/88/48/07/916884807.db2.gz	RPHPPHADMHJXOG-NXEZZACHSA-N	1	1	302.331	-1.850	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)n1	ZINC000599100705	373034909	/nfs/dbraw/zinc/03/49/09/373034909.db2.gz	MAAGCNOYJRIEDA-SSDOTTSWSA-N	1	1	305.316	-1.405	20	5		DABDMO
COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O	ZINC000441304132	409512043	/nfs/dbraw/zinc/51/20/43/409512043.db2.gz	QSXJHGDJNGTIMR-GXSJLCMTSA-N	1	1	315.330	-1.026	20	5		DABDMO
C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000347228129	262542630	/nfs/dbraw/zinc/54/26/30/262542630.db2.gz	XAVUAWHSRRWRFE-FBIMIBRVSA-N	1	1	313.314	-1.273	20	5		DABDMO
C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000347228129	262542631	/nfs/dbraw/zinc/54/26/31/262542631.db2.gz	XAVUAWHSRRWRFE-FBIMIBRVSA-N	1	1	313.314	-1.273	20	5		DABDMO
C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000358073506	263252788	/nfs/dbraw/zinc/25/27/88/263252788.db2.gz	PXGLCRIGPIEOTD-ZDUSSCGKSA-N	1	1	310.310	-1.061	20	5		DABDMO
C[C@]1(CO)C[C@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285471	782099432	/nfs/dbraw/zinc/09/94/32/782099432.db2.gz	MUSPDQBNALTITL-QJPTWQEYSA-N	1	1	300.315	-1.030	20	5		DABDMO
O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001022064104	662385879	/nfs/dbraw/zinc/38/58/79/662385879.db2.gz	WLKCPACSUTZMHC-LMLFDSFASA-N	1	1	311.342	-1.086	20	5		DABDMO
O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCC1	ZINC001025775356	662531209	/nfs/dbraw/zinc/53/12/09/662531209.db2.gz	RTKGPVNGOQBZRC-HMUNZLOLSA-N	1	1	308.338	-1.070	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025777117	662531321	/nfs/dbraw/zinc/53/13/21/662531321.db2.gz	IPQNHXPPLBBYSH-ZIQFBCGOSA-N	1	1	306.326	-1.010	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025777117	662531325	/nfs/dbraw/zinc/53/13/25/662531325.db2.gz	IPQNHXPPLBBYSH-ZIQFBCGOSA-N	1	1	306.326	-1.010	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025777117	662531329	/nfs/dbraw/zinc/53/13/29/662531329.db2.gz	IPQNHXPPLBBYSH-ZIQFBCGOSA-N	1	1	306.326	-1.010	20	5		DABDMO
Cn1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC000983650524	662696907	/nfs/dbraw/zinc/69/69/07/662696907.db2.gz	VPEKUJDBURUCOS-ZYUZMQFOSA-N	1	1	309.330	-1.140	20	5		DABDMO
O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031661007	663305386	/nfs/dbraw/zinc/30/53/86/663305386.db2.gz	ZZAFPWSSLURXTB-GHMZBOCLSA-N	1	1	324.337	-1.151	20	5		DABDMO
CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001266683224	775169462	/nfs/dbraw/zinc/16/94/62/775169462.db2.gz	KOTXACGCFKKIIB-UTINFBMNSA-N	1	1	320.371	-1.562	20	5		DABDMO
C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1C(=O)CNC1=O	ZINC001267193824	775210689	/nfs/dbraw/zinc/21/06/89/775210689.db2.gz	DOAJTBRHBGRATC-RKDXNWHRSA-N	1	1	313.314	-1.749	20	5		DABDMO
C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCN1C(=O)CNC1=O	ZINC001267193824	775210694	/nfs/dbraw/zinc/21/06/94/775210694.db2.gz	DOAJTBRHBGRATC-RKDXNWHRSA-N	1	1	313.314	-1.749	20	5		DABDMO
C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCN1C(=O)CNC1=O	ZINC001267193824	775210698	/nfs/dbraw/zinc/21/06/98/775210698.db2.gz	DOAJTBRHBGRATC-RKDXNWHRSA-N	1	1	313.314	-1.749	20	5		DABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCOCC1	ZINC001126932301	775665093	/nfs/dbraw/zinc/66/50/93/775665093.db2.gz	REABBHXCDZEAIX-GHMZBOCLSA-N	1	1	314.342	-1.347	20	5		DABDMO
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936862	775666049	/nfs/dbraw/zinc/66/60/49/775666049.db2.gz	VFAYKPGVVWOKRL-GHMZBOCLSA-N	1	1	302.331	-1.490	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cn1ncnn1	ZINC001127433261	775802391	/nfs/dbraw/zinc/80/23/91/775802391.db2.gz	KFIPMTUENACSDZ-UHFFFAOYSA-N	1	1	309.290	-1.779	20	5		DABDMO
CNC(=O)NCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001128789049	776021687	/nfs/dbraw/zinc/02/16/87/776021687.db2.gz	CVJONSUVZYHTSR-UHFFFAOYSA-N	1	1	313.318	-1.537	20	5		DABDMO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1	ZINC001151818123	779683901	/nfs/dbraw/zinc/68/39/01/779683901.db2.gz	YCQVUCQDFKNSEW-GFCCVEGCSA-N	1	1	313.314	-1.433	20	5		DABDMO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1	ZINC001157601967	779756982	/nfs/dbraw/zinc/75/69/82/779756982.db2.gz	IREXTKOCBXTFCP-UHFFFAOYSA-N	1	1	308.294	-1.044	20	5		DABDMO
CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157760703	779758737	/nfs/dbraw/zinc/75/87/37/779758737.db2.gz	HQBSUTUHPXJPPO-GHMZBOCLSA-N	1	1	316.358	-1.100	20	5		DABDMO
CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157775280	779758837	/nfs/dbraw/zinc/75/88/37/779758837.db2.gz	NKHJGPYBIRIGLN-NXEZZACHSA-N	1	1	322.387	-1.313	20	5		DABDMO
[NH3+][C@@H]1NCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2NCN[C@@H]21	ZINC001162438025	779853558	/nfs/dbraw/zinc/85/35/58/779853558.db2.gz	FJJCWGHJQMUUGB-BDODKLCJSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2NCN[C@H]21	ZINC001162436345	779853749	/nfs/dbraw/zinc/85/37/49/779853749.db2.gz	KGKIMFQBAGVVOM-QXFUBDJGSA-N	1	1	310.274	-1.605	20	5		DABDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1	ZINC001162438099	779855690	/nfs/dbraw/zinc/85/56/90/779855690.db2.gz	WWEVWFPPFOBZMO-WLGLDCGKSA-N	1	1	314.737	-1.156	20	5		DABDMO
COc1cc(C)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441206	779857055	/nfs/dbraw/zinc/85/70/55/779857055.db2.gz	XLPATTRGVIMCED-LSJOCFKGSA-N	1	1	309.330	-1.196	20	5		DABDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1	ZINC001162445434	779858738	/nfs/dbraw/zinc/85/87/38/779858738.db2.gz	UPFPDLBQBQOMGY-ATZCPNFKSA-N	1	1	323.313	-1.727	20	5		DABDMO
O=C1NCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C12CNC2	ZINC001165300893	779882098	/nfs/dbraw/zinc/88/20/98/779882098.db2.gz	NMCWUIUZBBUZRV-UHFFFAOYSA-N	1	1	319.325	-1.650	20	5		DABDMO
COc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(OC)c1[N+](=O)[O-]	ZINC001166725052	779891606	/nfs/dbraw/zinc/89/16/06/779891606.db2.gz	HQIDKOPRLLFVIF-ZCFIWIBFSA-N	1	1	312.286	-1.335	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1	ZINC001256176308	780507357	/nfs/dbraw/zinc/50/73/57/780507357.db2.gz	UIXLNQWQEBTKLZ-YUSALJHKSA-N	1	1	300.315	-1.173	20	5		DABDMO
CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001280813593	780645812	/nfs/dbraw/zinc/64/58/12/780645812.db2.gz	DZGLNHANOJXWJS-RKDXNWHRSA-N	1	1	315.330	-1.373	20	5		DABDMO
C[N@@H+](CCNS(C)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001318912605	916413257	/nfs/dbraw/zinc/41/32/57/916413257.db2.gz	KLDFIOSXFQCJHM-SNVBAGLBSA-N	1	1	321.359	-1.367	20	5		DABDMO
C[N@@H+](CCNS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001318912604	916413885	/nfs/dbraw/zinc/41/38/85/916413885.db2.gz	KLDFIOSXFQCJHM-JTQLQIEISA-N	1	1	321.359	-1.367	20	5		DABDMO
NC(=O)C[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC001339721091	917721022	/nfs/dbraw/zinc/72/10/22/917721022.db2.gz	HKHPVDWLERQJLU-UHFFFAOYSA-N	1	1	310.314	-1.143	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1	ZINC001449090325	929537900	/nfs/dbraw/zinc/53/79/00/929537900.db2.gz	SBGWYSWRNXKIHP-ZJUUUORDSA-N	1	1	310.314	-1.146	20	5		DABDMO
CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O	ZINC001560076274	930090712	/nfs/dbraw/zinc/09/07/12/930090712.db2.gz	ZXHFNHZPJLTRIQ-MXWKQRLJSA-N	1	1	323.309	-1.301	20	5		DABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCC[NH3+])n1	ZINC000599110212	373034272	/nfs/dbraw/zinc/03/42/72/373034272.db2.gz	LCPQIZPTZLDFGM-UHFFFAOYSA-N	1	1	307.332	-1.028	20	5		DABDMO
C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000347228124	545761448	/nfs/dbraw/zinc/76/14/48/545761448.db2.gz	XAVUAWHSRRWRFE-DVVUODLYSA-N	1	1	313.314	-1.273	20	5		DABDMO
C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000347228124	545761452	/nfs/dbraw/zinc/76/14/52/545761452.db2.gz	XAVUAWHSRRWRFE-DVVUODLYSA-N	1	1	313.314	-1.273	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775602	662531349	/nfs/dbraw/zinc/53/13/49/662531349.db2.gz	HMLFLDNKCCNRLZ-ZIQFBCGOSA-N	1	1	323.353	-1.277	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025775602	662531350	/nfs/dbraw/zinc/53/13/50/662531350.db2.gz	HMLFLDNKCCNRLZ-ZIQFBCGOSA-N	1	1	323.353	-1.277	20	5		DABDMO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025775602	662531351	/nfs/dbraw/zinc/53/13/51/662531351.db2.gz	HMLFLDNKCCNRLZ-ZIQFBCGOSA-N	1	1	323.353	-1.277	20	5		DABDMO
CS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001266591552	775158538	/nfs/dbraw/zinc/15/85/38/775158538.db2.gz	PABZLXHLGMNBHS-ZYUZMQFOSA-N	1	1	305.356	-1.067	20	5		DABDMO
CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001267371300	775231962	/nfs/dbraw/zinc/23/19/62/775231962.db2.gz	JNIYKYKDIWGLON-HTQZYQBOSA-N	1	1	301.303	-1.845	20	5		DABDMO
CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1	ZINC001271038924	775524976	/nfs/dbraw/zinc/52/49/76/775524976.db2.gz	VEBYILMXAPJTCO-NXEZZACHSA-N	1	1	314.342	-1.347	20	5		DABDMO
COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936200	775665174	/nfs/dbraw/zinc/66/51/74/775665174.db2.gz	ABSMWQILCBBOLD-NXEZZACHSA-N	1	1	302.331	-1.490	20	5		DABDMO
O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936417	775665255	/nfs/dbraw/zinc/66/52/55/775665255.db2.gz	GQXQKHIEKQEONO-NXEZZACHSA-N	1	1	320.371	-1.607	20	5		DABDMO
CN(CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O	ZINC001126936760	775667038	/nfs/dbraw/zinc/66/70/38/775667038.db2.gz	RCJXJLSDVIIIKY-RKDXNWHRSA-N	1	1	308.360	-1.751	20	5		DABDMO
Cn1nnc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001132523329	776633434	/nfs/dbraw/zinc/63/34/34/776633434.db2.gz	DGPQBRGJHGHCCT-UHFFFAOYSA-N	1	1	309.290	-1.629	20	5		DABDMO
C[NH+]1CC(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1	ZINC001303514125	778097193	/nfs/dbraw/zinc/09/71/93/778097193.db2.gz	IMNMAINKMAGSOC-UHFFFAOYSA-N	1	1	309.330	-1.356	20	5		DABDMO
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](C)CC1	ZINC001304071567	778100033	/nfs/dbraw/zinc/10/00/33/778100033.db2.gz	BNYCATLSWWDTSA-UHFFFAOYSA-N	1	1	311.346	-1.108	20	5		DABDMO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@]1(CO)COCC[NH2+]1	ZINC001151817165	779684114	/nfs/dbraw/zinc/68/41/14/779684114.db2.gz	LOPZNMQLSBBRDV-GFCCVEGCSA-N	1	1	313.314	-1.352	20	5		DABDMO
O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157775010	779758487	/nfs/dbraw/zinc/75/84/87/779758487.db2.gz	HNRLTAOKIMNRNV-RKDXNWHRSA-N	1	1	313.314	-1.701	20	5		DABDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21	ZINC001162436237	779853035	/nfs/dbraw/zinc/85/30/35/779853035.db2.gz	JBKKBFFFCCOEHF-ATZCPNFKSA-N	1	1	323.313	-1.727	20	5		DABDMO
[NH3+][C@@H]1NCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2NCN[C@H]21	ZINC001162438028	779853793	/nfs/dbraw/zinc/85/37/93/779853793.db2.gz	FJJCWGHJQMUUGB-QUNWWBBNSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2NCN[C@@H]21	ZINC001162436344	779854171	/nfs/dbraw/zinc/85/41/71/779854171.db2.gz	KGKIMFQBAGVVOM-NQMVMOMDSA-N	1	1	310.274	-1.605	20	5		DABDMO
[NH3+][C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2NCN[C@H]21	ZINC001162439719	779855558	/nfs/dbraw/zinc/85/55/58/779855558.db2.gz	ODFIXXZJHKTULI-TUAOUCFPSA-N	1	1	304.314	-1.032	20	5		DABDMO
C[N@@H+]1CCO[C@H](COCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224800368	780324523	/nfs/dbraw/zinc/32/45/23/780324523.db2.gz	PJMAQHZSIRFJGV-VIFPVBQESA-N	1	1	318.286	-1.575	20	5		DABDMO
C[N@H+]1CCO[C@H](COCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224800368	780324532	/nfs/dbraw/zinc/32/45/32/780324532.db2.gz	PJMAQHZSIRFJGV-VIFPVBQESA-N	1	1	318.286	-1.575	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1	ZINC001256176307	780507265	/nfs/dbraw/zinc/50/72/65/780507265.db2.gz	UIXLNQWQEBTKLZ-WCQGTBRESA-N	1	1	300.315	-1.173	20	5		DABDMO
O=C(NC1(CO)CC[NH+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001281810909	780692667	/nfs/dbraw/zinc/69/26/67/780692667.db2.gz	YMABXYDKVQIFKB-GHMZBOCLSA-N	1	1	301.343	-1.023	20	5		DABDMO
Cn1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1	ZINC001126668256	916139625	/nfs/dbraw/zinc/13/96/25/916139625.db2.gz	ZVEFMLGXBAMINJ-UHFFFAOYSA-N	1	1	308.302	-1.024	20	5		DABDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001138062000	916142941	/nfs/dbraw/zinc/14/29/41/916142941.db2.gz	WPYHYAXJXNVVSX-CYBMUJFWSA-N	1	1	310.310	-1.061	20	5		DABDMO
NC(=O)C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900137	917119562	/nfs/dbraw/zinc/11/95/62/917119562.db2.gz	BZWVUBSDVOURKO-WDEREUQCSA-N	1	1	313.314	-1.272	20	5		DABDMO
NC(=O)C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900137	917119567	/nfs/dbraw/zinc/11/95/67/917119567.db2.gz	BZWVUBSDVOURKO-WDEREUQCSA-N	1	1	313.314	-1.272	20	5		DABDMO
CN1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001336713123	917604500	/nfs/dbraw/zinc/60/45/00/917604500.db2.gz	ONTPJZPLZCXDKC-CYBMUJFWSA-N	1	1	312.374	-1.011	20	5		DABDMO
CN1CCN(C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1	ZINC001348957300	917985140	/nfs/dbraw/zinc/98/51/40/917985140.db2.gz	FSEJYZAXHFZLDT-ZDUSSCGKSA-N	1	1	312.374	-1.011	20	5		DABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1	ZINC001449090319	929537353	/nfs/dbraw/zinc/53/73/53/929537353.db2.gz	SBGWYSWRNXKIHP-UWVGGRQHSA-N	1	1	310.314	-1.146	20	5		DABDMO
CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O	ZINC001560076273	930091258	/nfs/dbraw/zinc/09/12/58/930091258.db2.gz	ZXHFNHZPJLTRIQ-GARJFASQSA-N	1	1	323.309	-1.301	20	5		DABDMO
COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O	ZINC000441304136	409512260	/nfs/dbraw/zinc/51/22/60/409512260.db2.gz	QSXJHGDJNGTIMR-KOLCDFICSA-N	1	1	315.330	-1.026	20	5		DABDMO
COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O	ZINC000441304140	263292455	/nfs/dbraw/zinc/29/24/55/263292455.db2.gz	QSXJHGDJNGTIMR-ONGXEEELSA-N	1	1	315.330	-1.026	20	5		DABDMO
O=C1NC[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000247332485	527077362	/nfs/dbraw/zinc/07/73/62/527077362.db2.gz	YTEQBGSLWXEIIU-GXSJLCMTSA-N	1	1	310.314	-1.138	20	5		DABDMO
O=C1NC[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000247332485	527077368	/nfs/dbraw/zinc/07/73/68/527077368.db2.gz	YTEQBGSLWXEIIU-GXSJLCMTSA-N	1	1	310.314	-1.138	20	5		DABDMO
CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001266696838	775171321	/nfs/dbraw/zinc/17/13/21/775171321.db2.gz	UGWDENFPCPCFGU-NXEZZACHSA-N	1	1	312.326	-1.151	20	5		DABDMO
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126932316	775664684	/nfs/dbraw/zinc/66/46/84/775664684.db2.gz	RYVNBUXUSQTJAY-NXEZZACHSA-N	1	1	302.331	-1.490	20	5		DABDMO
CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936680	775666927	/nfs/dbraw/zinc/66/69/27/775666927.db2.gz	QJHHAUWBFMMSRS-NXEZZACHSA-N	1	1	322.387	-1.313	20	5		DABDMO
Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363434	776258535	/nfs/dbraw/zinc/25/85/35/776258535.db2.gz	UFVUCFFDNALBNW-ZYUZMQFOSA-N	1	1	309.330	-1.140	20	5		DABDMO
NCc1nnnn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158074811	776529403	/nfs/dbraw/zinc/52/94/03/776529403.db2.gz	LGRASCLVGMRTMK-UHFFFAOYSA-N	1	1	306.290	-1.771	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1	ZINC001133013293	776650855	/nfs/dbraw/zinc/65/08/55/776650855.db2.gz	CLGFHVFGPWNMBN-UHFFFAOYSA-N	1	1	321.297	-1.069	20	5		DABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cn1cnnn1	ZINC001123306710	779581269	/nfs/dbraw/zinc/58/12/69/779581269.db2.gz	XSTPTJMWWPSTKJ-UHFFFAOYSA-N	1	1	309.290	-1.779	20	5		DABDMO
COC(=O)NCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001124181411	779592994	/nfs/dbraw/zinc/59/29/94/779592994.db2.gz	GKDGMAZSPZGTDH-UHFFFAOYSA-N	1	1	314.302	-1.110	20	5		DABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2NCN[C@@H]21	ZINC001162437662	779853469	/nfs/dbraw/zinc/85/34/69/779853469.db2.gz	CMVWRFAHJPZITD-BBBLOLIVSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2NCN[C@H]21	ZINC001162437656	779854211	/nfs/dbraw/zinc/85/42/11/779854211.db2.gz	CMVWRFAHJPZITD-AEJSXWLSSA-N	1	1	315.721	-1.622	20	5		DABDMO
[NH3+][C@@H]1NCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2NCN[C@H]21	ZINC001162438030	779855196	/nfs/dbraw/zinc/85/51/96/779855196.db2.gz	FJJCWGHJQMUUGB-WQGWLQIFSA-N	1	1	315.721	-1.622	20	5		DABDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1	ZINC001162438098	779855966	/nfs/dbraw/zinc/85/59/66/779855966.db2.gz	WWEVWFPPFOBZMO-HQLVHBAOSA-N	1	1	314.737	-1.156	20	5		DABDMO
COC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162441439	779856660	/nfs/dbraw/zinc/85/66/60/779856660.db2.gz	XSFHZWBDOGWAGA-UJNFCWOMSA-N	1	1	323.313	-1.727	20	5		DABDMO
COC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162441436	779856862	/nfs/dbraw/zinc/85/68/62/779856862.db2.gz	XSFHZWBDOGWAGA-FKTZTGRPSA-N	1	1	323.313	-1.727	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1	ZINC001171229182	781387038	/nfs/dbraw/zinc/38/70/38/781387038.db2.gz	IYHXJEFUUPHEMZ-MVWJERBFSA-N	1	1	300.315	-1.173	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1	ZINC001171229184	781387190	/nfs/dbraw/zinc/38/71/90/781387190.db2.gz	IYHXJEFUUPHEMZ-YUSALJHKSA-N	1	1	300.315	-1.173	20	5		DABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1	ZINC001171229181	781387837	/nfs/dbraw/zinc/38/78/37/781387837.db2.gz	IYHXJEFUUPHEMZ-JLLWLGSASA-N	1	1	300.315	-1.173	20	5		DABDMO