smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1	ZINC000004688060	204154993	/nfs/dbraw/zinc/15/49/93/204154993.db2.gz	SQGBNKVQASXTBP-UHFFFAOYSA-N	1	0	361.552	1.676	1	0		FDAFRO
[NH3+][C@H](Cc1cccc(I)c1)C(=O)NC[C@@H]1CCCO1	ZINC000045226890	205117368	/nfs/dbraw/zinc/11/73/68/205117368.db2.gz	SVUBICMXTDHMOR-QWHCGFSZSA-N	1	0	374.222	1.456	1	0		FDAFRO
O=c1c(-c2ccc(F)cc2)nc2cnc(N3CC[NH2+]CC3)nc2n1C1CC1	ZINC000004239118	132386542	/nfs/dbraw/zinc/38/65/42/132386542.db2.gz	GWKFTZZDUAOZOQ-UHFFFAOYSA-N	1	0	366.400	1.737	1	0		FDAFRO
CC(=O)Nc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3nc[nH]c32)cc1	ZINC000053313536	136124847	/nfs/dbraw/zinc/12/48/47/136124847.db2.gz	BHLDGDGOVVTRGT-UHFFFAOYSA-N	1	0	352.402	1.465	1	0		FDAFRO
CCn1nc(C)c(CNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)c1C	ZINC000082092192	523645097	/nfs/dbraw/zinc/64/50/97/523645097.db2.gz	VJGHIVZRNGABSL-HNNXBMFYSA-N	1	0	359.478	1.574	1	0		FDAFRO
C[N@@H+]1CCC=C([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1	ZINC000040429478	205070284	/nfs/dbraw/zinc/07/02/84/205070284.db2.gz	JESYENORHAVITR-MRXNPFEDSA-N	1	0	356.875	1.991	1	0		FDAFRO
COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CC[NH2+]CC1	ZINC000040976220	205086848	/nfs/dbraw/zinc/08/68/48/205086848.db2.gz	NPPBDFFMJNUJRY-UHFFFAOYSA-N	1	0	361.377	1.292	1	0		FDAFRO
Nc1[nH]c(CCCNS(=O)(=O)c2ccc(Br)cc2)c[nH+]1	ZINC000043079090	205101227	/nfs/dbraw/zinc/10/12/27/205101227.db2.gz	IVIOPAUJHZVKAI-UHFFFAOYSA-N	1	0	359.249	1.666	1	0		FDAFRO
Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)([NH3+])C3)n(Cc3ccccc3)c2c1=O	ZINC000064549994	205300498	/nfs/dbraw/zinc/30/04/98/205300498.db2.gz	AJXPXEUUDNOLBU-HXUWFJFHSA-N	1	0	367.453	1.807	1	0		FDAFRO
Fc1cccc(OC2CN(c3c4c(nc5ccnn53)CC[NH2+]CC4)C2)c1	ZINC000066112015	205364809	/nfs/dbraw/zinc/36/48/09/205364809.db2.gz	UACUIHOXTMUHHQ-UHFFFAOYSA-N	1	0	353.401	1.824	1	0		FDAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)c(C)sc1C(=O)OC	ZINC000066258549	205365991	/nfs/dbraw/zinc/36/59/91/205365991.db2.gz	QPZUUYMBLIGCJC-LBPRGKRZSA-N	1	0	367.471	1.691	1	0		FDAFRO
CC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@@H+]3C)[C@@H](O5)[C@@H]1O	ZINC000169289834	206249484	/nfs/dbraw/zinc/24/94/84/206249484.db2.gz	BFLMMFSITRYJLB-NMUISOLVSA-N	1	0	359.466	1.724	1	0		FDAFRO
CCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)COP)c(C)c1	ZINC000169317284	206250049	/nfs/dbraw/zinc/25/00/49/206250049.db2.gz	LGYSNSZUFSAXTF-TZMCWYRMSA-N	1	0	357.391	1.661	1	0		FDAFRO
COCc1ccc(O)cc1CC[N@H+](C)[C@@H](CO)[C@H](O)c1cccc(O)c1	ZINC000085486943	291040023	/nfs/dbraw/zinc/04/00/23/291040023.db2.gz	HFNUAHRWTNOLLU-VQTJNVASSA-N	1	0	361.438	1.813	1	0	biogenic,in-vitro	FDAFRO
CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043015235	205099672	/nfs/dbraw/zinc/09/96/72/205099672.db2.gz	SSVQWLGTGLUHIP-MJGOQNOKSA-N	1	0	356.422	1.553	1	0		FDAFRO
C[NH2+]C[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O	ZINC000049111664	205170548	/nfs/dbraw/zinc/17/05/48/205170548.db2.gz	VUEFLJKLCMGDEG-HNNXBMFYSA-N	1	0	365.430	1.999	1	0		FDAFRO
C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCC[NH3+])CC(=O)O1	ZINC000169371498	206254599	/nfs/dbraw/zinc/25/45/99/206254599.db2.gz	TXMPHGCNVNXXHF-XFIGGOPCSA-N	1	0	357.516	1.857	1	0		FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](N3C(=O)CC[C@@H]3C)CN1CC2	ZINC000169310497	206248539	/nfs/dbraw/zinc/24/85/39/206248539.db2.gz	ARQNYGOILDZRGJ-IEAZIUSSSA-N	1	0	359.470	1.714	1	0		FDAFRO
Cc1nc2cnc(N3CC[NH2+]CC3)nc2n(CCc2ccccc2)c1=O	ZINC000004238556	132386641	/nfs/dbraw/zinc/38/66/41/132386641.db2.gz	GWHJDAOARXAUIO-UHFFFAOYSA-N	1	0	350.426	1.147	1	0		FDAFRO
O=S(=O)(c1n[nH]c2cc(N3CC[NH2+]CC3)ccc21)c1cccc(F)c1	ZINC000064446839	136133178	/nfs/dbraw/zinc/13/31/78/136133178.db2.gz	JHSXVNOCFWEPIU-UHFFFAOYSA-N	1	0	360.414	1.944	1	0		FDAFRO
C/C=C1\C[NH2+][C@@H]2C[C@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13	ZINC000013373726	560215308	/nfs/dbraw/zinc/21/53/08/560215308.db2.gz	OQJSSGHGITUGKL-AGOJIADISA-N	1	0	370.449	1.556	1	0	in-vitro	FDAFRO
COc1cc2c(cc1O)C[C@@H]1[NH2+]CCc3cc(OCO)c(OCO)c-2c31	ZINC000095486344	291040938	/nfs/dbraw/zinc/04/09/38/291040938.db2.gz	RFZCXIVWIVHCQA-ZDUSSCGKSA-N	1	0	359.378	1.468	1	0	biogenic,in-vitro	FDAFRO
C[C@H](CCNS(=O)(=O)c1csc(C(N)=O)c1)[NH+]1CCCCCC1	ZINC000007006327	204286287	/nfs/dbraw/zinc/28/62/87/204286287.db2.gz	GCKCXDJTTXWXED-GFCCVEGCSA-N	1	0	359.517	1.780	1	0		FDAFRO
CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cc[nH]c1	ZINC000040429758	205070914	/nfs/dbraw/zinc/07/09/14/205070914.db2.gz	BFFORFSCMCLHMJ-UHFFFAOYSA-N	1	0	368.401	1.806	1	0		FDAFRO
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1C[N@H+](C)CCN1C	ZINC000045257961	205119265	/nfs/dbraw/zinc/11/92/65/205119265.db2.gz	YZUCQNXMDAUAIL-WMLDXEAASA-N	1	0	351.458	1.862	1	0		FDAFRO
Nc1cccc2c1C[C@@H]([NH+]1CCC(C(=O)N3CCCCC3)CC1)[C@H](O)C2	ZINC000049087618	205168315	/nfs/dbraw/zinc/16/83/15/205168315.db2.gz	WIKMJKNBZDRQLJ-WOJBJXKFSA-N	1	0	357.498	1.821	1	0		FDAFRO
C[NH+]1CCC(O)(CNC(=O)c2cc(COc3cccc(F)c3)n[nH]2)CC1	ZINC000067689241	205384184	/nfs/dbraw/zinc/38/41/84/205384184.db2.gz	SFHSVNPBXKTJQH-UHFFFAOYSA-N	1	0	362.405	1.314	1	0		FDAFRO
CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5	ZINC000169347048	206253071	/nfs/dbraw/zinc/25/30/71/206253071.db2.gz	WANNNLVIJSLAKN-NQFGSJOWSA-N	1	0	369.461	1.993	1	0		FDAFRO
CC(C)C[C@@H]1COc2cc(N3CC[NH+](C)CC3)ccc2S(=O)(=O)N1	ZINC000095566442	132215590	/nfs/dbraw/zinc/21/55/90/132215590.db2.gz	QVFSMYWIURQFDC-CQSZACIVSA-N	1	0	353.488	1.524	3	0		FDAFRO
C[N@@H+]1CCC=C([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1	ZINC000040429476	205070160	/nfs/dbraw/zinc/07/01/60/205070160.db2.gz	JESYENORHAVITR-INIZCTEOSA-N	1	0	356.875	1.991	1	0		FDAFRO
CNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC3CCC3)CC2)c1=O	ZINC000049048459	205169533	/nfs/dbraw/zinc/16/95/33/205169533.db2.gz	NPWBAKHVQNZFLT-UHFFFAOYSA-N	1	0	356.470	1.986	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12	ZINC000053313666	205191330	/nfs/dbraw/zinc/19/13/30/205191330.db2.gz	VOALQSCHGCHZEL-IBGZPJMESA-N	1	0	368.416	1.743	1	0		FDAFRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C[C@H]2OC[C@@H]([NH3+])[C@@H](C)O2)N1	ZINC000064298252	205297169	/nfs/dbraw/zinc/29/71/69/205297169.db2.gz	DDNHFZCCWQLEDF-HGTDSOCVSA-N	1	0	359.426	1.375	1	0		FDAFRO
CCOC(=O)C1=C(C[NH2+]C[C@H]2CCCO2)NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000020213802	520520778	/nfs/dbraw/zinc/52/07/78/520520778.db2.gz	ATSVRKODMOHWJL-CRAIPNDOSA-N	1	0	373.453	1.935	1	0		FDAFRO
CC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CSC12CC[NH+](C)CC2	ZINC000006943372	204283315	/nfs/dbraw/zinc/28/33/15/204283315.db2.gz	VDIOEJRXLDUECR-QGZVFWFLSA-N	1	0	361.511	1.997	1	0		FDAFRO
Cc1nn(C)c2ncc(C(N)=O)c(Nc3cccc(O[C@H]4CC[NH2+]C4)c3)c12	ZINC000013588207	204538312	/nfs/dbraw/zinc/53/83/12/204538312.db2.gz	APLFIOYOMOMQCQ-AWEZNQCLSA-N	1	0	366.425	1.860	1	0		FDAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(=O)OC	ZINC000029341090	204898168	/nfs/dbraw/zinc/89/81/68/204898168.db2.gz	TYZOHBMALJGRIB-UHFFFAOYSA-N	1	0	357.838	1.546	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@H]([NH3+])[C@@H](N3CCCCC3=O)CN1CC2	ZINC000058498814	205276264	/nfs/dbraw/zinc/27/62/64/205276264.db2.gz	QSVZHKOHWFGXHF-BBWFWOEESA-N	1	0	359.470	1.715	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@@H]([NH3+])[C@@H](N3CCCCC3=O)CN1CC2	ZINC000169312659	206250848	/nfs/dbraw/zinc/25/08/48/206250848.db2.gz	QSVZHKOHWFGXHF-ZACQAIPSSA-N	1	0	359.470	1.715	1	0		FDAFRO
COc1ccc(S(=O)(=O)c2n[nH]c3cc(N4CC[NH2+]CC4)ccc32)cc1	ZINC000064436545	136133192	/nfs/dbraw/zinc/13/31/92/136133192.db2.gz	OLZQQVBWGYEYMU-UHFFFAOYSA-N	1	0	372.450	1.814	1	0		FDAFRO
C/C=C1/C[NH2+][C@H]2C[C@@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13	ZINC000004097856	291032194	/nfs/dbraw/zinc/03/21/94/291032194.db2.gz	OQJSSGHGITUGKL-CEYJTUKCSA-N	1	0	370.449	1.556	1	0	biogenic,in-vitro	FDAFRO
COC(=O)[C@H]1CO[C@@H](C)[C@H]2C[N@@H+]3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12	ZINC000085530874	291038885	/nfs/dbraw/zinc/03/88/85/291038885.db2.gz	BYHYWWSHNOLDME-UVNOOCMNSA-N	1	0	370.449	1.795	1	0	biogenic,in-vitro	FDAFRO
C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1	ZINC000004971547	204182035	/nfs/dbraw/zinc/18/20/35/204182035.db2.gz	YWLAKHOEPHWSSN-UHFFFAOYSA-N	1	0	365.499	1.606	1	0		FDAFRO
CCC/C=C1/CCCO[C@@](C(=O)NCC[NH2+]CCO)(C(F)(F)F)C1	ZINC000013829002	204555271	/nfs/dbraw/zinc/55/52/71/204555271.db2.gz	HENIUKOAROMIHK-XNISGLLXSA-N	1	0	352.397	1.913	3	0		FDAFRO
CC1(C)C=C(C(=O)NC[C@@H](O)CNC(=O)c2cccs2)C(C)(C)[NH2+]1	ZINC000040503559	205071386	/nfs/dbraw/zinc/07/13/86/205071386.db2.gz	QUCFKUXLCVNPLZ-LLVKDONJSA-N	1	0	351.472	1.042	1	0		FDAFRO
Cc1cccnc1CN1CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1	ZINC000063834306	205293453	/nfs/dbraw/zinc/29/34/53/205293453.db2.gz	UPKPEORAGKKORH-NHCUHLMSSA-N	1	0	358.530	1.887	1	0		FDAFRO
COc1ccc(-n2c(CN3CC[NH2+]CC3)nc3ccccc3c2=O)cc1	ZINC000072124326	205470749	/nfs/dbraw/zinc/47/07/49/205470749.db2.gz	OSNKJXGENYTAHE-UHFFFAOYSA-N	1	0	350.422	1.800	1	0		FDAFRO
CC(C)[NH2+]C[C@H](O)c1ccc(OC(=O)N(C)C)c(OC(=O)N(C)C)c1	ZINC000095554701	205787025	/nfs/dbraw/zinc/78/70/25/205787025.db2.gz	LCLUYKWWRKZRDD-ZDUSSCGKSA-N	1	0	353.419	1.839	1	0		FDAFRO
O=S(=O)(c1cccc2cnccc21)N1CCC2(CC1)C[C@H](O)CC[NH2+]2	ZINC000096910992	205886319	/nfs/dbraw/zinc/88/63/19/205886319.db2.gz	DWQQZFOOERGYNK-OAHLLOKOSA-N	1	0	361.467	1.502	1	0		FDAFRO
C/C=C/C[C@H]1C[NH2+][C@@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12	ZINC000169323764	206250885	/nfs/dbraw/zinc/25/08/85/206250885.db2.gz	ROOMXEZZOCZIFM-KTPAQCIISA-N	1	0	351.491	1.319	1	0		FDAFRO
NC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCC[NH2+]CC4)cc3)nc21	ZINC000045354381	581100574	/nfs/dbraw/zinc/10/05/74/581100574.db2.gz	PDRUYQAWRBGOQZ-UHFFFAOYSA-N	1	0	363.421	1.560	1	0		FDAFRO
CC[NH+](CC)CCN(C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1	ZINC000045288888	205119215	/nfs/dbraw/zinc/11/92/15/205119215.db2.gz	JILADAYTACKJDA-MRXNPFEDSA-N	1	0	361.534	1.787	1	0		FDAFRO
[O-]c1cc(C2=[NH+]CCN2)ccc1-c1cn(-c2ccc(C3=[NH+]CCN3)cc2)nn1	ZINC000045325012	205120234	/nfs/dbraw/zinc/12/02/34/205120234.db2.gz	AFHGBSBBAHMESW-UHFFFAOYSA-N	1	0	373.420	1.340	1	0		FDAFRO
C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1)c1cccnc1	ZINC000095585042	132215791	/nfs/dbraw/zinc/21/57/91/132215791.db2.gz	YUZRIQNBQFPWRI-ZDUSSCGKSA-N	1	0	365.441	1.528	1	0		FDAFRO
[NH3+]C[C@H]1CN(c2nccn3cnnc23)C(=O)C[C@@H]1c1cc(F)ccc1F	ZINC000169312413	132261565	/nfs/dbraw/zinc/26/15/65/132261565.db2.gz	PDSWDESCNDVMNN-JQWIXIFHSA-N	1	0	358.352	1.498	1	0		FDAFRO
C[NH+]1CCN(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1	ZINC000072128607	136142149	/nfs/dbraw/zinc/14/21/49/136142149.db2.gz	LCUMYQASDKVIPX-UHFFFAOYSA-N	1	0	350.430	1.740	1	0		FDAFRO
CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000169299397	209374044	/nfs/dbraw/zinc/37/40/44/209374044.db2.gz	ACFSALJTHZUQDJ-WFNJMBFTSA-N	1	0	369.465	1.886	1	0		FDAFRO
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)NC(C)C)CC3	ZINC000096262445	209145472	/nfs/dbraw/zinc/14/54/72/209145472.db2.gz	CFGKVMYRMNVXIR-HNAYVOBHSA-N	1	0	350.507	1.665	1	0		FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](N3CCCCC3=O)CN1CC2	ZINC000006733243	207158561	/nfs/dbraw/zinc/15/85/61/207158561.db2.gz	QSVZHKOHWFGXHF-ULQDDVLXSA-N	1	0	359.470	1.715	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(C)(C)[NH2+]1	ZINC000040631700	208260322	/nfs/dbraw/zinc/26/03/22/208260322.db2.gz	ZKOUCMGDQSXQPP-ZIAGYGMSSA-N	1	0	359.470	1.531	1	0		FDAFRO
COC(=O)[C@@]1(c2ccc(N)cc2)C[C@@H]1C[NH+]1CCN(c2ccccn2)CC1	ZINC000040584485	132946904	/nfs/dbraw/zinc/94/69/04/132946904.db2.gz	MZKDCLUYXDNCBG-DYESRHJHSA-N	1	0	366.465	1.917	1	0		FDAFRO
Cc1[nH]c(/C=C2\C(=O)Nc3ncccc32)c(C)c1C(=O)NCC[NH+](C)C	ZINC000073169686	221560158	/nfs/dbraw/zinc/56/01/58/221560158.db2.gz	JPWYNRBOBHGKDY-UVTDQMKNSA-N	1	0	353.426	1.811	1	0		FDAFRO
Cn1c2c(c(=[NH+]CCC[NH3+])c3ccccc31)[C@H]1C=C(C(=O)[O-])C=C[C@@H]1N2	ZINC000103186534	536328610	/nfs/dbraw/zinc/32/86/10/536328610.db2.gz	ILCGFSZFYCRQFY-GJZGRUSLSA-N	1	0	350.422	1.764	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@@H]([NH3+])[C@@H](N3C[C@@H](C)CC3=O)CN1CC2	ZINC000114348235	209341224	/nfs/dbraw/zinc/34/12/24/209341224.db2.gz	NUBNLQCQSWLNCX-DXEWXGHRSA-N	1	0	359.470	1.571	1	0		FDAFRO
CN(C)c1cc[n+](Cc2ccc(Cn3cnc(N)c4ncnc3-4)cc2)cc1	ZINC000102945321	209244415	/nfs/dbraw/zinc/24/44/15/209244415.db2.gz	PNSBWBHGVQNWER-UHFFFAOYSA-N	1	0	360.445	1.810	1	0		FDAFRO
NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4C[NH2+]C4)cc3)nc21	ZINC000045351171	208330870	/nfs/dbraw/zinc/33/08/70/208330870.db2.gz	KSNJQWQHCIBMKU-UHFFFAOYSA-N	1	0	353.357	1.421	1	0		FDAFRO
COc1ccccc1OC1CN(c2c3c(nc4ccnn42)CC[NH2+]CC3)C1	ZINC000066263587	208698071	/nfs/dbraw/zinc/69/80/71/208698071.db2.gz	ZXMLRTRVPLFERQ-UHFFFAOYSA-N	1	0	365.437	1.694	1	0		FDAFRO
NC(=[NH2+])c1ccc(N2CC[NH+]([C@H]3CC[C@](O)(CC(=O)[O-])CC3)CC2)cc1	ZINC000100901221	132233518	/nfs/dbraw/zinc/23/35/18/132233518.db2.gz	LBRIXPRQDXPCPZ-UWUNEBHHSA-N	1	0	360.458	1.241	1	0		FDAFRO
Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CC[NH2+]CC3)nc21	ZINC000004238973	132386564	/nfs/dbraw/zinc/38/65/64/132386564.db2.gz	DWUIIADGDATBNX-UHFFFAOYSA-N	1	0	358.352	1.078	1	0		FDAFRO
[NH3+][C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1c1ccccc1	ZINC000066080456	136136736	/nfs/dbraw/zinc/13/67/36/136136736.db2.gz	NHALEDNWDATFQS-SJORKVTESA-N	1	0	362.437	1.958	1	0		FDAFRO
COCCC[C@@H]1CCCN(C(=O)CN2CC3(CC2=O)CC[NH+](C)CC3)C1	ZINC000019792889	523469423	/nfs/dbraw/zinc/46/94/23/523469423.db2.gz	JTCSKQYWEXJFJE-KRWDZBQOSA-N	1	0	365.518	1.596	1	0		FDAFRO
CC[C@@H]1CC(=O)N([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@@H]2[NH3+])C1	ZINC000038358378	208200509	/nfs/dbraw/zinc/20/05/09/208200509.db2.gz	RRMHXFUPTNJEEM-QCSYZSNVSA-N	1	0	373.497	1.961	1	0		FDAFRO
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc1	ZINC000040421385	208252300	/nfs/dbraw/zinc/25/23/00/208252300.db2.gz	PLOOBKGGWQHOJT-UHFFFAOYSA-N	1	0	372.372	1.915	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4cccc(F)c4)C3)c12	ZINC000053313660	208446892	/nfs/dbraw/zinc/44/68/92/208446892.db2.gz	VCIBCCHKEUKULK-IBGZPJMESA-N	1	0	368.416	1.743	1	0		FDAFRO
Cn1cc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1	ZINC000064625976	132305078	/nfs/dbraw/zinc/30/50/78/132305078.db2.gz	GTDTZLUWBWWGOJ-MRXNPFEDSA-N	1	0	356.474	1.850	1	0		FDAFRO
O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1ccc(N2CCOCC2)nc1	ZINC000049000278	136123838	/nfs/dbraw/zinc/12/38/38/136123838.db2.gz	DIXPUJYHGIQDPR-UHFFFAOYSA-N	1	0	352.438	1.859	1	0		FDAFRO
COc1ccc(S(=O)(=O)c2n[nH]c3cccc(N4CC[NH2+]CC4)c32)cc1	ZINC000064447104	136133168	/nfs/dbraw/zinc/13/31/68/136133168.db2.gz	VSIYGSHVTCGALF-UHFFFAOYSA-N	1	0	372.450	1.814	1	0		FDAFRO
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1Cc2ccccc2CNC1=O	ZINC000040864729	208273001	/nfs/dbraw/zinc/27/30/01/208273001.db2.gz	QBXKIGHVYCRJPK-OALUTQOASA-N	1	0	367.449	1.236	1	0		FDAFRO
O=C([C@@H]1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C[NH2+]1)N1CCSC1	ZINC000028889020	136153494	/nfs/dbraw/zinc/15/34/94/136153494.db2.gz	DIBNEHHXZULNFK-IRXDYDNUSA-N	1	0	364.490	1.211	1	0		FDAFRO
COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1	ZINC000095575124	209082396	/nfs/dbraw/zinc/08/23/96/209082396.db2.gz	UPPXBXOYPZLBFZ-CQSZACIVSA-N	1	0	365.455	1.997	1	0		FDAFRO
CCn1c(N)nc2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cnc21	ZINC000077460101	535988204	/nfs/dbraw/zinc/98/82/04/535988204.db2.gz	FPEJMXQIGJPDAF-UHFFFAOYSA-N	1	0	351.414	1.391	1	0		FDAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2n2cccc2c1=O	ZINC000006782274	207163544	/nfs/dbraw/zinc/16/35/44/207163544.db2.gz	ADCSDSIDZCFMKK-OAHLLOKOSA-N	1	0	352.438	1.855	1	0		FDAFRO
Cc1nnc2ccc(N3C[C@H](C[NH3+])[C@@H](c4cc(F)ccc4F)CC3=O)nn12	ZINC000169312420	132261525	/nfs/dbraw/zinc/26/15/25/132261525.db2.gz	DACGYEDTOZBRRS-AAEUAGOBSA-N	1	0	372.379	1.806	1	0		FDAFRO
C[N@@H+]1CC[C@]23c4ccccc4N4C(=O)C[C@H]5OCC=C(C1)[C@@H](CC2=O)[C@H]5[C@@H]43	ZINC000059587626	291038299	/nfs/dbraw/zinc/03/82/99/291038299.db2.gz	RNZRHJNFQWMXHB-YSBOVHILSA-N	1	0	364.445	1.909	1	0	biogenic,in-vitro	FDAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(OC)OC	ZINC000029340790	207989825	/nfs/dbraw/zinc/98/98/25/207989825.db2.gz	XWXSUOFPQBJJNG-UHFFFAOYSA-N	1	0	373.881	1.992	1	0		FDAFRO
CC(=O)O[C@H]1C[C@H]2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000031851890	208019763	/nfs/dbraw/zinc/01/97/63/208019763.db2.gz	IUKYXZADSGGCJJ-OHNCIUIWSA-N	1	0	373.405	1.970	1	0		FDAFRO
[O-]c1ccc(C2=[NH+]CCN2)cc1-c1cn(-c2cccc(C3=[NH+]CCN3)c2)nn1	ZINC000045254433	208330510	/nfs/dbraw/zinc/33/05/10/208330510.db2.gz	MWBLBYINEUNXRT-UHFFFAOYSA-N	1	0	373.420	1.340	1	0		FDAFRO
[NH3+][C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1	ZINC000100409337	209213817	/nfs/dbraw/zinc/21/38/17/209213817.db2.gz	UTSGUQQUFYMTLL-AOOOYVTPSA-N	1	0	363.368	1.940	1	0		FDAFRO
CC[NH+](CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]2(C)c1ccccc1	ZINC000096909513	209160830	/nfs/dbraw/zinc/16/08/30/209160830.db2.gz	DQZKWOYYSNKISM-HRAATJIYSA-N	1	0	370.449	1.985	1	0		FDAFRO
CCCC[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC	ZINC000004969222	207066932	/nfs/dbraw/zinc/06/69/32/207066932.db2.gz	KAKUKWSQOAHWHW-UHFFFAOYSA-N	1	0	367.515	1.996	1	0		FDAFRO
C[C@@H](CCNS(=O)(=O)c1csc(C(N)=O)c1)[NH+]1CCCCCC1	ZINC000007006326	207183653	/nfs/dbraw/zinc/18/36/53/207183653.db2.gz	GCKCXDJTTXWXED-LBPRGKRZSA-N	1	0	359.517	1.780	1	0		FDAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OCOCCOC	ZINC000029331354	207987692	/nfs/dbraw/zinc/98/76/92/207987692.db2.gz	ZVPMWLYIHMIYJK-UHFFFAOYSA-N	1	0	373.881	1.993	1	0		FDAFRO
C[C@H]([NH3+])[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	ZINC000040466498	208254747	/nfs/dbraw/zinc/25/47/47/208254747.db2.gz	ASTAFNLUJGJJRD-UWVGGRQHSA-N	1	0	374.416	1.929	1	0		FDAFRO
O=C(C[C@H]1[NH2+]CCC[C@@H]1O)Cn1cnc2cccc(C(F)(F)F)c2c1=O	ZINC000040563988	208256464	/nfs/dbraw/zinc/25/64/64/208256464.db2.gz	WRLTUKSOYSHGID-KGLIPLIRSA-N	1	0	369.343	1.487	1	0		FDAFRO
COCCN(C)c1ncc(-c2ccncc2)nc1N1CCC[N@H+](C)CC1	ZINC000045352045	208331629	/nfs/dbraw/zinc/33/16/29/208331629.db2.gz	IXPHAKRKIKXIRR-UHFFFAOYSA-N	1	0	356.474	1.763	1	0		FDAFRO
O=C1COCC(=O)N1CCCC[NH+]1CCN(c2nccc3occc32)CC1	ZINC000031502170	132377955	/nfs/dbraw/zinc/37/79/55/132377955.db2.gz	QBICJHHCQYFVMI-UHFFFAOYSA-N	1	0	372.425	1.115	1	0		FDAFRO
CNC(=O)c1cnc(Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)nc1NC	ZINC000053201221	536438988	/nfs/dbraw/zinc/43/89/88/536438988.db2.gz	OZNMCKJIWMSUAK-UHFFFAOYSA-N	1	0	369.473	1.682	1	0		FDAFRO
COc1ccc2c(c1O)[C@@]13CC[N@@H+](C)[C@]1(CC2)C(OC)=C(OC)[C@@H](O)C3	ZINC000015267751	291039425	/nfs/dbraw/zinc/03/94/25/291039425.db2.gz	LZOBTQFAAZQLPU-QTJFZDIUSA-N	1	0	361.438	1.928	1	0	biogenic,in-vitro	FDAFRO
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1[C@@H](O)C[N@@H+]3CCC2	ZINC000085490168	291041291	/nfs/dbraw/zinc/04/12/91/291041291.db2.gz	UEGWMHGITVWRJW-XAMWDVODSA-N	1	0	361.438	1.228	1	0	biogenic,in-vitro	FDAFRO
CC(C)C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccnc3)C[C@H]12	ZINC000107180149	209275559	/nfs/dbraw/zinc/27/55/59/209275559.db2.gz	DETHDLQGHHYMHY-DLBZAZTESA-N	1	0	356.470	1.277	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C(C)(C)[NH2+]1	ZINC000100762352	209217457	/nfs/dbraw/zinc/21/74/57/209217457.db2.gz	NSJCIQAXBZQCLJ-ZIAGYGMSSA-N	1	0	361.486	1.755	1	0		FDAFRO
NS(=O)(=O)c1ccc(CC[NH2+]Cc2coc3ccccc3c2=O)cc1	ZINC000096940555	209163697	/nfs/dbraw/zinc/16/36/97/209163697.db2.gz	MYCAHHTVVICGJI-UHFFFAOYSA-N	1	0	358.419	1.773	1	0		FDAFRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2nnc3cnc4[nH]ccc4c32)CC1	ZINC000096271455	209149037	/nfs/dbraw/zinc/14/90/37/209149037.db2.gz	LUFSKXSIFUDHFT-HNNXBMFYSA-N	1	0	353.430	1.565	1	0		FDAFRO
COc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCN(C(=O)CC[NH3+])C3)C(=O)N2	ZINC000096272952	209148762	/nfs/dbraw/zinc/14/87/62/209148762.db2.gz	OFUBWOTWQPAEDG-SXGWCWSVSA-N	1	0	366.421	1.750	1	0		FDAFRO
C[C@H](CN(C)c1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(C(N)=O)c1	ZINC000027733409	207938953	/nfs/dbraw/zinc/93/89/53/207938953.db2.gz	BGWISXJFTZBWEK-KZULUSFZSA-N	1	0	359.426	1.345	1	0		FDAFRO
CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]([NH3+])C4(CC4)C3)c(F)c2)C(=O)O1	ZINC000040874704	208272225	/nfs/dbraw/zinc/27/22/25/208272225.db2.gz	AABJBDXJVLJTHH-XJKSGUPXSA-N	1	0	362.405	1.215	1	0		FDAFRO
CC(C)C(OCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C(C)C	ZINC000095552909	209078619	/nfs/dbraw/zinc/07/86/19/209078619.db2.gz	XSLPULJZAQIROQ-XMTFNYHQSA-N	1	0	361.523	1.003	1	0		FDAFRO
CCC[NH+]1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1	ZINC000015936309	211150319	/nfs/dbraw/zinc/15/03/19/211150319.db2.gz	MHMMSNXONAWSKM-UHFFFAOYSA-N	1	0	367.453	1.594	3	0		FDAFRO
O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1	ZINC000003936634	210500178	/nfs/dbraw/zinc/50/01/78/210500178.db2.gz	FZJQHARRQUNVGZ-QZTJIDSGSA-N	1	0	370.405	1.805	1	0	in-vivo	FDAFRO
COc1cccc(Nc2nc(N3CCN(C)CC3)nc3c2CC[NH2+]CC3)c1	ZINC000096928124	132226641	/nfs/dbraw/zinc/22/66/41/132226641.db2.gz	LDDHNSZJTGROPX-UHFFFAOYSA-N	1	0	368.485	1.669	1	0		FDAFRO
CO[C@H]1[C@@H]2[N@@H+]3CC[C@@]24c2ccccc2N2C(=O)C[C@@H]5OCC=C(C3)[C@H]1[C@@H]5[C@H]24	ZINC000070454300	291040623	/nfs/dbraw/zinc/04/06/23/291040623.db2.gz	JASVNTDJKFETNC-CJRUCWEJSA-N	1	0	364.445	1.717	1	0	biogenic,in-vitro	FDAFRO
[NH3+]C[C@H](O)Cn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21	ZINC000029126008	211505828	/nfs/dbraw/zinc/50/58/28/211505828.db2.gz	SJJFYAKGAZYRHR-AWEZNQCLSA-N	1	0	361.401	1.528	1	0		FDAFRO
C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000019227321	211208646	/nfs/dbraw/zinc/20/86/46/211208646.db2.gz	XCPCBCZVRNNSIH-AWEZNQCLSA-N	1	0	362.426	1.506	1	0		FDAFRO
COC(=O)C1=C2Nc3c(cccc3O)[C@@]23CC[N@@H+]2C[C@@H](C(C)=O)[C@@H]1C[C@H]23	ZINC000066112299	221241870	/nfs/dbraw/zinc/24/18/70/221241870.db2.gz	LNRAHCYSFBURKI-LRDLFRDYSA-N	1	0	354.406	1.796	1	0		FDAFRO
CC(C)C[C@H]1COc2cc(N3CC[NH+](C)CC3)ccc2S(=O)(=O)N1	ZINC000095603365	132216052	/nfs/dbraw/zinc/21/60/52/132216052.db2.gz	QVFSMYWIURQFDC-AWEZNQCLSA-N	1	0	353.488	1.524	3	0		FDAFRO
O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-n2cccn2)n1	ZINC000096269619	132224751	/nfs/dbraw/zinc/22/47/51/132224751.db2.gz	RDDHQIXOSCCFSR-UHFFFAOYSA-N	1	0	354.439	1.991	1	0		FDAFRO
O=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3Cc2ccoc2)[C@@H]1O5	ZINC000104154611	222351343	/nfs/dbraw/zinc/35/13/43/222351343.db2.gz	JZHGDRXAGAFPQB-DBOLQNLKSA-N	1	0	367.401	1.909	3	0		FDAFRO
Cc1ncc2c(c1-c1noc([C@@H]3CCCCO3)n1)CCN(C(=O)C[NH3+])C2	ZINC000023214496	210158053	/nfs/dbraw/zinc/15/80/53/210158053.db2.gz	GBZRPOQIEQYHIQ-AWEZNQCLSA-N	1	0	357.414	1.525	1	0		FDAFRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1	ZINC000016689979	211165631	/nfs/dbraw/zinc/16/56/31/211165631.db2.gz	NPDFNCLCHBATKL-ZIAGYGMSSA-N	1	0	358.442	1.498	3	0		FDAFRO
COc1cc(Br)c(OC)c(C(=O)NC[C@@H]2CCC[NH2+]2)c1OC	ZINC000034343059	211615591	/nfs/dbraw/zinc/61/55/91/211615591.db2.gz	HEYOCUXLIMONNN-VIFPVBQESA-N	1	0	373.247	1.957	1	0		FDAFRO
COc1cc(NC(=O)C(=O)NC(C)(C)C[NH+](C)C)ccc1-c1cnco1	ZINC000013441262	211034541	/nfs/dbraw/zinc/03/45/41/211034541.db2.gz	WCGUNBGJDAKQDV-UHFFFAOYSA-N	1	0	360.414	1.745	1	0		FDAFRO
Nc1ncnc2c([C@@H]3[NH2+][C@@H](CSc4ccccc4)[C@@H](O)[C@@H]3O)c[nH]c21	ZINC000101008160	222259286	/nfs/dbraw/zinc/25/92/86/222259286.db2.gz	NMRYBOIRNWCBBW-DDUYRFODSA-N	1	0	357.439	1.019	1	0		FDAFRO
Cn1c2c(c(=[NH+]CCC[NH3+])c3ccccc31)[C@@H]1C=C(C(=O)[O-])C=C[C@@H]1N2	ZINC000103186537	536328343	/nfs/dbraw/zinc/32/83/43/536328343.db2.gz	ILCGFSZFYCRQFY-CABCVRRESA-N	1	0	350.422	1.764	1	0		FDAFRO
Cn1c2c(c(=[NH+]CCC[NH3+])c3ccccc31)[C@H]1C=C(C(=O)[O-])C=C[C@H]1N2	ZINC000103186536	536328717	/nfs/dbraw/zinc/32/87/17/536328717.db2.gz	ILCGFSZFYCRQFY-LSDHHAIUSA-N	1	0	350.422	1.764	1	0		FDAFRO
COC/C=C/c1c(N)n2ncc(-c3cnn(C)c3)c2nc1[C@@H]1CCC[NH2+]C1	ZINC000060327800	212019890	/nfs/dbraw/zinc/01/98/90/212019890.db2.gz	ZPUKTVUQNMJSQA-DIECRNLCSA-N	1	0	367.457	1.839	1	0		FDAFRO
CCCC[C@H]1CCCO[C@](C(=O)NCC[NH2+]CCO)(C(F)(F)F)C1	ZINC000013829035	211061408	/nfs/dbraw/zinc/06/14/08/211061408.db2.gz	TWKIELSXWUFRDO-DZGCQCFKSA-N	1	0	354.413	1.993	3	0		FDAFRO
COCCOCC[NH2+][C@H](C)c1cc2cc(S(N)(=O)=O)sc2s1	ZINC000013822172	211061158	/nfs/dbraw/zinc/06/11/58/211061158.db2.gz	IRXHTBCIMPXLHG-SECBINFHSA-N	1	0	364.514	1.924	1	0		FDAFRO
C/C=C(\C)C(=O)NCCN1C2=[NH+]C[C@@H](C)N2C[C@H]1Cc1ccc(O)cc1	ZINC000013545644	211039732	/nfs/dbraw/zinc/03/97/32/211039732.db2.gz	PTMHHMIPTJJIGE-FZGIQDKVSA-N	1	0	356.470	1.761	3	0		FDAFRO
CC[N@@H+]1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)cc2OC)C1	ZINC000000595006	210250795	/nfs/dbraw/zinc/25/07/95/210250795.db2.gz	WKQKHFBNIGVTEQ-LBPRGKRZSA-N	1	0	354.882	1.756	1	0		FDAFRO
Cc1cc(C)[n+](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)c1	ZINC000005765093	210231071	/nfs/dbraw/zinc/23/10/71/210231071.db2.gz	PNDYDXDNOWKEBO-UHFFFAOYSA-O	1	0	354.839	1.584	1	0	in-man	FDAFRO
Oc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314	ZINC000003977862	210080295	/nfs/dbraw/zinc/08/02/95/210080295.db2.gz	NETZHAKZCGBWSS-PCAIFEHESA-N	1	0	357.450	1.707	3	0	investigational	FDAFRO
C[C@H]1C(=O)O[C@]2(CCCC[N@@H+]3[C@H]([C@]4(C)C[C@H](C)C(=O)O4)CC[C@H]32)[C@@H]1O	ZINC000070454830	291043217	/nfs/dbraw/zinc/04/32/17/291043217.db2.gz	KISAMKSOYMKSQF-VOLJYCQOSA-N	1	0	351.443	1.638	1	0	biogenic,in-vitro	FDAFRO
Cc1cccc2c1n(C(C)C)c(=O)n2C(=O)NCCN1CC[NH+](C)CC1	ZINC000022939344	211369531	/nfs/dbraw/zinc/36/95/31/211369531.db2.gz	FGOPZMFONBCRCY-UHFFFAOYSA-N	1	0	359.474	1.497	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)Oc4ccccc4)C3)c12	ZINC000053230324	581091640	/nfs/dbraw/zinc/09/16/40/581091640.db2.gz	NRQNWBSCBCFFDZ-IBGZPJMESA-N	1	0	366.425	1.963	1	0		FDAFRO
CNC(=O)c1cn(C)c2c1CCc1cnc(NC3CC[NH+](C)CC3)nc1-2	ZINC000064526513	212038919	/nfs/dbraw/zinc/03/89/19/212038919.db2.gz	AJZBSIXTTKUOOJ-UHFFFAOYSA-N	1	0	354.458	1.446	1	0		FDAFRO
CCOc1nc(NC)c(Cl)cc1C(=O)N[C@H]1CN(C)CC[N@H+](CC)C1	ZINC000022928175	211371534	/nfs/dbraw/zinc/37/15/34/211371534.db2.gz	ZTPVDGKFYZMLHZ-LBPRGKRZSA-N	1	0	369.897	1.541	1	0		FDAFRO
CC(C)n1c2ccc(F)cc2n(C(=O)NCCN2CC[NH+](C)CC2)c1=O	ZINC000022939341	211371362	/nfs/dbraw/zinc/37/13/62/211371362.db2.gz	IIYBTASRQQDVST-UHFFFAOYSA-N	1	0	363.437	1.328	1	0		FDAFRO
CS(=O)(=O)N1CCC[C@H]2C[N@@H+]3CCc4cc5c(cc4[C@@H]3C[C@H]21)OCO5	ZINC000013820251	211062284	/nfs/dbraw/zinc/06/22/84/211062284.db2.gz	KKFYOXXHUIRLJK-IMJJTQAJSA-N	1	0	364.467	1.758	1	0		FDAFRO
CC(=O)O[C@H]1C=C2CC[N@@H+](C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4	ZINC000096908969	222137811	/nfs/dbraw/zinc/13/78/11/222137811.db2.gz	CZJNFLUIJWJYGK-WNRNVDISSA-N	1	0	357.362	1.614	1	0		FDAFRO
CCOC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH2+]CCNC(=O)N1CCCCC1	ZINC000103227223	222326894	/nfs/dbraw/zinc/32/68/94/222326894.db2.gz	JWGGMQCQDQLLTO-ZSHCYNCHSA-N	1	0	352.479	1.638	1	0		FDAFRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2ccccn2c1=O	ZINC000102851940	222310547	/nfs/dbraw/zinc/31/05/47/222310547.db2.gz	ZBXYZYHGGMQKAU-CQSZACIVSA-N	1	0	358.442	1.785	3	0		FDAFRO
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3Cc2ccoc2)[C@@H]1O5	ZINC000104154615	222351546	/nfs/dbraw/zinc/35/15/46/222351546.db2.gz	JZHGDRXAGAFPQB-RZXSNQJFSA-N	1	0	367.401	1.909	3	0		FDAFRO
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3[NH3+])nnc2C(N)=O)ccc1F	ZINC000169308320	222558742	/nfs/dbraw/zinc/55/87/42/222558742.db2.gz	VYFZIPUVTIMYCJ-NWDGAFQWSA-N	1	0	359.409	1.843	1	0		FDAFRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1	ZINC000022852879	211366391	/nfs/dbraw/zinc/36/63/91/211366391.db2.gz	NPDFNCLCHBATKL-KBPBESRZSA-N	1	0	358.442	1.498	3	0		FDAFRO
CC[N@@H+]1CCN(C)C[C@@H](NC(=O)c2cc(Cl)c(NC)cc2OC)C1	ZINC000022452401	211349861	/nfs/dbraw/zinc/34/98/61/211349861.db2.gz	WKQKHFBNIGVTEQ-GFCCVEGCSA-N	1	0	354.882	1.756	1	0		FDAFRO
COC(=O)[C@H](CCCC[NH3+])NC(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000071295301	221340704	/nfs/dbraw/zinc/34/07/04/221340704.db2.gz	QGSGKGLVIMYPGI-HNNXBMFYSA-N	1	0	374.441	1.033	1	0		FDAFRO
CC[NH+]1CCN(CC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)CC1	ZINC000020035768	132894033	/nfs/dbraw/zinc/89/40/33/132894033.db2.gz	MLLJRLVAHUOHHU-UHFFFAOYSA-N	1	0	371.437	1.415	1	0		FDAFRO
O=c1cc(N2CC[NH2+]CC2)nc2n(Cc3cccnc3)c3ccccc3n21	ZINC000095587076	136151087	/nfs/dbraw/zinc/15/10/87/136151087.db2.gz	GPWKHRAGEVOPIH-UHFFFAOYSA-N	1	0	360.421	1.502	1	0		FDAFRO
CCOC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH2+]CCNC(=O)c1cccs1	ZINC000103228765	222326054	/nfs/dbraw/zinc/32/60/54/222326054.db2.gz	GONINSKKIDMHMG-NHAGDIPZSA-N	1	0	351.472	1.934	1	0		FDAFRO
CC[C@H]1CN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)CC[NH2+]1	ZINC000064447424	536159533	/nfs/dbraw/zinc/15/95/33/536159533.db2.gz	CFEQOBCMXNKLIG-JTQLQIEISA-N	1	0	362.405	1.361	1	0		FDAFRO
CN1C[C@H](C(=O)NCCC[NH+]2CCC3(CCc4ccccc43)CC2)CC1=O	ZINC000043120246	220944952	/nfs/dbraw/zinc/94/49/52/220944952.db2.gz	XTOYQZLRXAKBKO-GOSISDBHSA-N	1	0	369.509	1.951	1	0		FDAFRO
CC[NH+]1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)CC1	ZINC000064527675	221148165	/nfs/dbraw/zinc/14/81/65/221148165.db2.gz	RLOPENNMNPVKFM-UHFFFAOYSA-N	1	0	354.458	1.576	1	0		FDAFRO
Cn1cc(-c2cnn3c2nc([C@@H]2CC[NH2+]C2)c(Br)c3N)cn1	ZINC000066260155	221244083	/nfs/dbraw/zinc/24/40/83/221244083.db2.gz	JGWJRPGWLZPBIJ-MRVPVSSYSA-N	1	0	362.235	1.551	1	0		FDAFRO
Nc1ncnc2c([C@@H]3[NH2+][C@H](CSc4ccccc4)[C@@H](O)[C@@H]3O)c[nH]c21	ZINC000101008159	222259025	/nfs/dbraw/zinc/25/90/25/222259025.db2.gz	NMRYBOIRNWCBBW-WXYCVUISSA-N	1	0	357.439	1.019	1	0		FDAFRO
CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(C)C2=O)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]12	ZINC000103004764	222318522	/nfs/dbraw/zinc/31/85/22/222318522.db2.gz	ACFSALJTHZUQDJ-OILHZVAOSA-N	1	0	369.465	1.886	1	0		FDAFRO
CCOC(=O)C1=C(C[NH2+]C[C@@H]2CCCO2)NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000020213806	520520436	/nfs/dbraw/zinc/52/04/36/520520436.db2.gz	ATSVRKODMOHWJL-YJBOKZPZSA-N	1	0	373.453	1.935	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCNC(=O)Cc2ccc(O)cc2)C(C)(C)[NH2+]1	ZINC000040503713	536296671	/nfs/dbraw/zinc/29/66/71/536296671.db2.gz	WONMMQXOPGJLHM-UHFFFAOYSA-N	1	0	359.470	1.644	1	0		FDAFRO
NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CC[NH2+]CC2)c1	ZINC000040933140	581100937	/nfs/dbraw/zinc/10/09/37/581100937.db2.gz	JLQAPOMVNMZQSX-UHFFFAOYSA-N	1	0	353.422	1.452	1	0		FDAFRO
C[NH+](C)CCc1c[nH]c2ccc(CN3CC(C)(C)NS3(=O)=O)cc12	ZINC000013738515	220092625	/nfs/dbraw/zinc/09/26/25/220092625.db2.gz	BOFZPIYNCDADLB-UHFFFAOYSA-N	1	0	350.488	1.701	1	0		FDAFRO
CCCC[C@@H]1CCCO[C@@](C(=O)NCC[NH2+]CCO)(C(F)(F)F)C1	ZINC000013829029	220096939	/nfs/dbraw/zinc/09/69/39/220096939.db2.gz	TWKIELSXWUFRDO-HIFRSBDPSA-N	1	0	354.413	1.993	3	0		FDAFRO
CC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@@H+]3C)[C@@H](O5)[C@@H]1O	ZINC000025995597	220502708	/nfs/dbraw/zinc/50/27/08/220502708.db2.gz	BFLMMFSITRYJLB-NKVHHNDNSA-N	1	0	359.466	1.724	1	0		FDAFRO
NC(=[NH2+])NCCC[C@H]1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O	ZINC000029133477	220595297	/nfs/dbraw/zinc/59/52/97/220595297.db2.gz	ISYKEWZFNMQKFW-MRXNPFEDSA-N	1	0	365.437	1.595	1	0		FDAFRO
C[NH2+]C[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O	ZINC000049035345	221017679	/nfs/dbraw/zinc/01/76/79/221017679.db2.gz	VUEFLJKLCMGDEG-OAHLLOKOSA-N	1	0	365.430	1.999	1	0		FDAFRO
Cn1c(=O)cccc1C(=O)C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1	ZINC000096273570	222108800	/nfs/dbraw/zinc/10/88/00/222108800.db2.gz	PDZSPBVAGPDJDW-WOJBJXKFSA-N	1	0	366.461	1.808	1	0		FDAFRO
Cc1ccccc1C=c1[nH]c(=O)c(=Cc2nc[nH]c2C(C)(C)C)[n-]c1=O	ZINC000102972925	222317157	/nfs/dbraw/zinc/31/71/57/222317157.db2.gz	DKLCHQMEEBUUQT-VULZFCBJSA-N	1	0	350.422	1.050	1	0		FDAFRO
C[NH+]1CCN(c2ccc(N3Cc4cccc(C(N)=O)c4C3=O)cc2)CC1	ZINC000045365289	581098802	/nfs/dbraw/zinc/09/88/02/581098802.db2.gz	CVABBTLWVQVDMB-UHFFFAOYSA-N	1	0	350.422	1.698	1	0		FDAFRO
CC(C)C[N@@H+]1C[C@](O)(CNC(=O)OC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000005962666	219707209	/nfs/dbraw/zinc/70/72/09/219707209.db2.gz	PBNAKWYOQJBHSJ-IFXJQAMLSA-N	1	0	371.522	1.887	1	0		FDAFRO
C[N@@H+]1C[C@H]2CCCN(S(C)(=O)=O)[C@H]2C[C@H]1c1ccc2c(c1)OCO2	ZINC000013820278	220097029	/nfs/dbraw/zinc/09/70/29/220097029.db2.gz	RNXYZHSTXVPJLP-ILXRZTDVSA-N	1	0	352.456	1.832	1	0		FDAFRO
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccnc1)CC2	ZINC000014994009	220139920	/nfs/dbraw/zinc/13/99/20/220139920.db2.gz	CXJVDMDBYKZJGZ-KRWDZBQOSA-N	1	0	356.474	1.955	1	0		FDAFRO
Nc1ccc(S(=O)(=O)n2ccc3c2cccc3N2CC[NH2+]CC2)cc1	ZINC000003974379	132386090	/nfs/dbraw/zinc/38/60/90/132386090.db2.gz	NKFYXDRKCCFGCZ-UHFFFAOYSA-N	1	0	356.451	1.870	1	0		FDAFRO
CCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)COP)c(C)c1	ZINC000169317281	222560020	/nfs/dbraw/zinc/56/00/20/222560020.db2.gz	LGYSNSZUFSAXTF-GXTWGEPZSA-N	1	0	357.391	1.661	1	0		FDAFRO
COc1ccc2c(c1O)-c1c(OCO)c(OCO)cc3c1[C@H](C2)N(C)CC3	ZINC000095486343	291041276	/nfs/dbraw/zinc/04/12/76/291041276.db2.gz	INGKEJDOVCNOPJ-ZDUSSCGKSA-N	1	0	373.405	1.810	1	0	biogenic,in-vitro	FDAFRO
CC(C)(C)[NH2+]C[C@@H](O)Cn1cnc2c1nc(N)nc2OCc1ccccc1	ZINC000013600902	220078344	/nfs/dbraw/zinc/07/83/44/220078344.db2.gz	CEAQJZITUYUXRT-CQSZACIVSA-N	1	0	370.457	1.737	1	0		FDAFRO
CC1(C)O[C@@H](C[NH3+])[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1	ZINC000066263524	221243803	/nfs/dbraw/zinc/24/38/03/221243803.db2.gz	KUDYRECLZBUMDK-RYUDHWBXSA-N	1	0	359.785	1.013	1	0	in-vitro	FDAFRO
CNc1ncnc2c(Nc3ccccc3C)nc(N3CC[NH2+]CC3)nc12	ZINC000084633291	132198988	/nfs/dbraw/zinc/19/89/88/132198988.db2.gz	NLHAWPRZWKTHRI-UHFFFAOYSA-N	1	0	350.430	1.923	1	0		FDAFRO
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000100679489	132233185	/nfs/dbraw/zinc/23/31/85/132233185.db2.gz	VRNLQFXRAPWSFK-IAGOWNOFSA-N	1	0	371.485	1.554	1	0		FDAFRO
Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CC[NH2+]CC3)nc21	ZINC000004238911	132386566	/nfs/dbraw/zinc/38/65/66/132386566.db2.gz	UYIDFVMWICIANY-UHFFFAOYSA-N	1	0	356.817	1.454	1	0		FDAFRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2ccccn2c1=O	ZINC000102851944	222310337	/nfs/dbraw/zinc/31/03/37/222310337.db2.gz	ZBXYZYHGGMQKAU-AWEZNQCLSA-N	1	0	358.442	1.785	3	0		FDAFRO
C[NH+]1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1	ZINC000043018390	581098740	/nfs/dbraw/zinc/09/87/40/581098740.db2.gz	AEYPVXZFCDOPOH-UHFFFAOYSA-N	1	0	354.454	1.454	1	0		FDAFRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC(CO)CC3)nc2)C1	ZINC000015065356	220144309	/nfs/dbraw/zinc/14/43/09/220144309.db2.gz	BOEHAHVQCVDGIZ-GOSISDBHSA-N	1	0	374.529	1.998	1	0		FDAFRO
C[NH2+]C[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1	ZINC000029125959	220595454	/nfs/dbraw/zinc/59/54/54/220595454.db2.gz	KVHNFEISHHCIEZ-LBPRGKRZSA-N	1	0	355.423	1.682	1	0		FDAFRO
[NH3+]CCNC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(O)c2)N1	ZINC000049588910	221025931	/nfs/dbraw/zinc/02/59/31/221025931.db2.gz	QCKCFJTWKWDFDH-QZTJIDSGSA-N	1	0	350.422	1.552	1	0		FDAFRO
Cc1c(CCN2CC[NH+](C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12	ZINC000026726286	136153193	/nfs/dbraw/zinc/15/31/93/136153193.db2.gz	PTYNXQJNCFEPSW-UHFFFAOYSA-N	1	0	371.481	1.728	1	0		FDAFRO
CN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1C[NH2+]C1	ZINC000045340249	581099434	/nfs/dbraw/zinc/09/94/34/581099434.db2.gz	KCNQJKWZLYMXQS-UHFFFAOYSA-N	1	0	363.421	1.302	1	0		FDAFRO
CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1	ZINC000012579983	220009349	/nfs/dbraw/zinc/00/93/49/220009349.db2.gz	KFHGHHXFSJYRGB-KRWDZBQOSA-N	1	0	351.491	1.395	1	0		FDAFRO
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1CO	ZINC000013472295	220068713	/nfs/dbraw/zinc/06/87/13/220068713.db2.gz	HICLVBHTXPRGHR-PXNSSMCTSA-N	1	0	354.450	1.825	1	0		FDAFRO
[NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc32)CC1	ZINC000013555129	220073434	/nfs/dbraw/zinc/07/34/34/220073434.db2.gz	HEVISBCEDIZFQI-DCHPOBJKSA-N	1	0	355.482	1.951	1	0		FDAFRO
CCOC(=O)c1[nH]c2ccc(CN3C(=O)CNC3=O)cc2c1CC[NH+](C)C	ZINC000013605922	220078388	/nfs/dbraw/zinc/07/83/88/220078388.db2.gz	MLVCNBUUNXOPNQ-UHFFFAOYSA-N	1	0	372.425	1.501	1	0		FDAFRO
COC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CC[NH+](C)C	ZINC000013605886	220078535	/nfs/dbraw/zinc/07/85/35/220078535.db2.gz	WVKCNMPFYISXLX-UHFFFAOYSA-N	1	0	372.425	1.153	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)c4cccc(F)c4)C3)c12	ZINC000053313662	221044522	/nfs/dbraw/zinc/04/45/22/221044522.db2.gz	VCIBCCHKEUKULK-LJQANCHMSA-N	1	0	368.416	1.743	1	0		FDAFRO
CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CN(c3ccccc3)CC[NH2+]2)cc1	ZINC000049925451	136123979	/nfs/dbraw/zinc/12/39/79/136123979.db2.gz	PGJYMBMOPPPBME-QGZVFWFLSA-N	1	0	374.466	1.475	1	0		FDAFRO
[NH3+]CCNc1cc2c(=O)c(C(=O)NCCO)cn(C3CC3)c2cc1Cl	ZINC000073196193	221560563	/nfs/dbraw/zinc/56/05/63/221560563.db2.gz	BZIUXSGBTCASRG-UHFFFAOYSA-N	1	0	364.833	1.083	1	0		FDAFRO
C[NH2+]C[C@@H]1Cc2c3cc(C(=O)Nc4nccs4)ccc3[nH]c2C(=O)N1	ZINC000029125391	220595705	/nfs/dbraw/zinc/59/57/05/220595705.db2.gz	BOFVDHXCVJRCCL-JTQLQIEISA-N	1	0	355.423	1.751	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccccc4F)C3)c12	ZINC000053296942	221045300	/nfs/dbraw/zinc/04/53/00/221045300.db2.gz	NDFULCZYGKCLLZ-IBGZPJMESA-N	1	0	368.416	1.743	1	0		FDAFRO
Cc1nc2cnc(N3CC[NH2+]CC3)nc2n(Cc2ccc(F)cc2)c1=O	ZINC000004238535	132386611	/nfs/dbraw/zinc/38/66/11/132386611.db2.gz	MHWWNGJSGNJURU-UHFFFAOYSA-N	1	0	354.389	1.092	1	0		FDAFRO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)n2)cc1	ZINC000020923981	523299354	/nfs/dbraw/zinc/29/93/54/523299354.db2.gz	QLRKLBMIZOFRCA-HNNXBMFYSA-N	1	0	373.457	1.639	1	0		FDAFRO
O=C1C[C@H]2OCC=C3C[N@H+]4CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@]46O	ZINC000070450956	560049058	/nfs/dbraw/zinc/04/90/58/560049058.db2.gz	HCCFPODVEOBUMM-WEVLLVSRSA-N	1	0	350.418	1.413	1	0	biogenic,in-vitro	FDAFRO
CCC/C=C1/CCCO[C@](C(=O)NCC[NH2+]CCO)(C(F)(F)F)C1	ZINC000013829003	220096567	/nfs/dbraw/zinc/09/65/67/220096567.db2.gz	HENIUKOAROMIHK-KSKAUBAUSA-N	1	0	352.397	1.913	3	0		FDAFRO
C[N@@H+]1C[C@@H]2CCCN(S(C)(=O)=O)[C@@H]2C[C@H]1c1ccc2c(c1)OCO2	ZINC000013820280	220096663	/nfs/dbraw/zinc/09/66/63/220096663.db2.gz	RNXYZHSTXVPJLP-SOUVJXGZSA-N	1	0	352.456	1.832	1	0		FDAFRO
CCN1CC(NC(=O)[C@H]2Cc3c4ccccc4sc3C[NH2+]2)CN1CC	ZINC000019172640	220239686	/nfs/dbraw/zinc/23/96/86/220239686.db2.gz	UXJATGYCHANOSD-MRXNPFEDSA-N	1	0	358.511	1.973	1	0		FDAFRO
CCN1CC2(CC[NH+](C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O	ZINC000028760923	220584716	/nfs/dbraw/zinc/58/47/16/220584716.db2.gz	XCXKOYDNBBUVGC-WMLDXEAASA-N	1	0	362.426	1.494	1	0		FDAFRO
O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000096902217	132226314	/nfs/dbraw/zinc/22/63/14/132226314.db2.gz	UXRFGKLHVVIEGM-CALCHBBNSA-N	1	0	369.469	1.330	1	0		FDAFRO
CC[C@@H]1CN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)CC[NH2+]1	ZINC000064447422	136133125	/nfs/dbraw/zinc/13/31/25/136133125.db2.gz	CFEQOBCMXNKLIG-SNVBAGLBSA-N	1	0	362.405	1.361	1	0		FDAFRO
CCCNC(=O)NCCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(OC)c1	ZINC000169335377	222563925	/nfs/dbraw/zinc/56/39/25/222563925.db2.gz	UENQPSZMHCDOFL-INIZCTEOSA-N	1	0	367.490	1.685	1	0		FDAFRO
CCCN1CC[NH+](C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1	ZINC000019745855	519858473	/nfs/dbraw/zinc/85/84/73/519858473.db2.gz	DWSPLMYHHMRUEK-NRFANRHFSA-N	1	0	359.514	1.876	1	0		FDAFRO
CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+]	ZINC000028362551	581094014	/nfs/dbraw/zinc/09/40/14/581094014.db2.gz	OYRFSDDCPNYGHJ-GJZGRUSLSA-N	1	0	367.877	1.423	1	0		FDAFRO
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(N(C)C(=O)C2CC2)CC1	ZINC000014963983	581095185	/nfs/dbraw/zinc/09/51/85/581095185.db2.gz	JARWZTRYNLRZAE-KPPTXXMDSA-N	1	0	353.482	1.947	1	0		FDAFRO
C/C=C/C[C@@H]1C[NH2+][C@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12	ZINC000169323768	206250090	/nfs/dbraw/zinc/25/00/90/206250090.db2.gz	ROOMXEZZOCZIFM-FVSZNNMBSA-N	1	0	351.491	1.319	1	0		FDAFRO
CC[NH+]1CCN(c2nc3sc4ccccc4n3c(=O)c2C(N)=O)CC1	ZINC000103167953	132236912	/nfs/dbraw/zinc/23/69/12/132236912.db2.gz	UCICQFCAUDICIX-UHFFFAOYSA-N	1	0	357.439	1.150	1	0		FDAFRO
C[C@@H](O)CC(=O)O[C@H]1[C@@H](O)C=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5	ZINC000040933467	205085275	/nfs/dbraw/zinc/08/52/75/205085275.db2.gz	AMVDLCRDRNPXIY-ZNOCGUAXSA-N	1	0	373.405	1.070	1	0		FDAFRO
[O-]c1ccc(C2=[NH+]CCN2)cc1-c1cn(-c2ccc(C3=[NH+]CCN3)cc2)nn1	ZINC000045284565	205118329	/nfs/dbraw/zinc/11/83/29/205118329.db2.gz	HCVLBPAYXNJYMI-UHFFFAOYSA-N	1	0	373.420	1.340	1	0		FDAFRO
Cn1cc(-c2cnn3c2nc([C@H]2CC[NH2+]C2)c(Br)c3N)cn1	ZINC000066260156	205365206	/nfs/dbraw/zinc/36/52/06/205365206.db2.gz	JGWJRPGWLZPBIJ-QMMMGPOBSA-N	1	0	362.235	1.551	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@@H]([NH3+])[C@@H](N3CCCOC3=O)CN1CC2	ZINC000169315570	206249845	/nfs/dbraw/zinc/24/98/45/206249845.db2.gz	NSDPVRNHTOFONC-OAGGEKHMSA-N	1	0	361.442	1.545	1	0		FDAFRO
O=[N+]1Cc2nnc([C@H](O)CO)n2-c2ccc(Cl)cc2C1c1ccccc1	ZINC000169343328	206251754	/nfs/dbraw/zinc/25/17/54/206251754.db2.gz	OOJZZEXWCUXATB-OAHLLOKOSA-N	1	0	370.796	1.808	1	0		FDAFRO
CC[NH+](CC)CCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21	ZINC000008596047	535539655	/nfs/dbraw/zinc/53/96/55/535539655.db2.gz	MTJMGPBBGPVZBO-UHFFFAOYSA-N	1	0	361.446	1.439	1	0		FDAFRO
[NH3+]CCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1	ZINC000022930527	204791385	/nfs/dbraw/zinc/79/13/85/204791385.db2.gz	ODAGWGUCKWUZTJ-APWZRJJASA-N	1	0	367.440	1.413	1	0		FDAFRO
CC(=O)NCn1cc(-c2ccc(C3=CCN(C(N)=[NH2+])CC3)cc2)c(=O)o1	ZINC000028468257	204883275	/nfs/dbraw/zinc/88/32/75/204883275.db2.gz	VERPLRDQDKOALI-UHFFFAOYSA-N	1	0	355.398	1.184	1	0		FDAFRO
CC[C@@H]1CC(=O)N([C@@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@@H]2[NH3+])C1	ZINC000045374829	205122326	/nfs/dbraw/zinc/12/23/26/205122326.db2.gz	RRMHXFUPTNJEEM-XFKAJCMBSA-N	1	0	373.497	1.961	1	0		FDAFRO
CN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(Cc3cccc(F)c3)CC2)C1	ZINC000055211806	205211570	/nfs/dbraw/zinc/21/15/70/205211570.db2.gz	LSUKJONFOISNKT-IBGZPJMESA-N	1	0	362.493	1.496	1	0		FDAFRO
Fc1ccccc1OC1CN(c2c3c(nc4ccnn42)CC[NH2+]CC3)C1	ZINC000066111717	205363559	/nfs/dbraw/zinc/36/35/59/205363559.db2.gz	PVOIHXADHTXDSU-UHFFFAOYSA-N	1	0	353.401	1.824	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@H]([NH3+])[C@@H](N3C[C@@H](C)CC3=O)CN1CC2	ZINC000114348236	206093829	/nfs/dbraw/zinc/09/38/29/206093829.db2.gz	NUBNLQCQSWLNCX-SJWGOKEGSA-N	1	0	359.470	1.571	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@@H]([NH3+])[C@@H](N3CC[C@@H](C)CC3=O)CN1CC2	ZINC000169311318	206250475	/nfs/dbraw/zinc/25/04/75/206250475.db2.gz	WVBKPWPUNZOWNG-PILAGYSTSA-N	1	0	373.497	1.961	1	0		FDAFRO
NC(=[NH2+])c1ccc(N2CC[NH+](Cc3cccc(OCC(=O)[O-])c3)CC2)cc1	ZINC000084462256	132198742	/nfs/dbraw/zinc/19/87/42/132198742.db2.gz	QBGIWKKMZHBCBG-UHFFFAOYSA-N	1	0	368.437	1.756	1	0		FDAFRO
CSc1ccccc1Nc1nc(N2CC[NH2+]CC2)nc2c(N)ncnc12	ZINC000084596490	132198815	/nfs/dbraw/zinc/19/88/15/132198815.db2.gz	PNOKOKCTKHDOEK-UHFFFAOYSA-N	1	0	368.470	1.877	1	0		FDAFRO
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000029234445	132919565	/nfs/dbraw/zinc/91/95/65/132919565.db2.gz	UXRFGKLHVVIEGM-IAGOWNOFSA-N	1	0	369.469	1.330	1	0		FDAFRO
C[NH+](C)CCN1C(=O)c2cccc3cc(N4CCOCC4)cc(c32)C1=O	ZINC000040863327	136120572	/nfs/dbraw/zinc/12/05/72/136120572.db2.gz	GKBXYLXAUQBDDT-UHFFFAOYSA-N	1	0	353.422	1.834	1	0		FDAFRO
[NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064549199	136133337	/nfs/dbraw/zinc/13/33/37/136133337.db2.gz	ISKBJWPYUBLZFJ-GOSISDBHSA-N	1	0	361.449	1.848	1	0		FDAFRO
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@]4(O)[C@H](C2)[N@@H+](CC2CCC2)CC[C@@]314	ZINC000007997830	204314448	/nfs/dbraw/zinc/31/44/48/204314448.db2.gz	NETZHAKZCGBWSS-WYZBVHOTSA-N	1	0	357.450	1.707	1	0		FDAFRO
C[NH2+]CC[C@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1	ZINC000058591152	205277600	/nfs/dbraw/zinc/27/76/00/205277600.db2.gz	UOGHZTJKVOOTDF-GFCCVEGCSA-N	1	0	353.217	1.760	1	0		FDAFRO
O=C(Cn1ccnc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000064007311	132304795	/nfs/dbraw/zinc/30/47/95/132304795.db2.gz	FQVQVLFWKZKYBH-LJQANCHMSA-N	1	0	371.460	1.835	1	0		FDAFRO
CC(C)(Cc1ccc(F)cc1)[NH2+]CC(=O)N1CCC[C@H]1C(=O)c1ncon1	ZINC000028823299	581093245	/nfs/dbraw/zinc/09/32/45/581093245.db2.gz	SQFZVFRBKRWUGQ-HNNXBMFYSA-N	1	0	374.416	1.993	1	0		FDAFRO
CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]12	ZINC000013133395	203883685	/nfs/dbraw/zinc/88/36/85/203883685.db2.gz	ACFSALJTHZUQDJ-CTRXZIQJSA-N	1	0	369.465	1.886	1	0		FDAFRO
CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)c2cccs2)C(C)(C)[NH2+]1	ZINC000040503557	205071288	/nfs/dbraw/zinc/07/12/88/205071288.db2.gz	QUCFKUXLCVNPLZ-NSHDSACASA-N	1	0	351.472	1.042	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCNC(=O)[C@H](O)c2ccccc2)C(C)(C)[NH2+]1	ZINC000040617209	205074298	/nfs/dbraw/zinc/07/42/98/205074298.db2.gz	ABGNBZYWJINTLG-MRXNPFEDSA-N	1	0	359.470	1.429	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@H]([NH3+])[C@@H](N3CCCOC3=O)CN1CC2	ZINC000058502056	205275510	/nfs/dbraw/zinc/27/55/10/205275510.db2.gz	NSDPVRNHTOFONC-XHSDSOJGSA-N	1	0	361.442	1.545	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@H]([NH3+])[C@H](N3C[C@@H](C)CC3=O)CN1CC2	ZINC000114343732	206094535	/nfs/dbraw/zinc/09/45/35/206094535.db2.gz	NUBNLQCQSWLNCX-KKBVYLPWSA-N	1	0	359.470	1.571	1	0		FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](N3CCC[S@@]3=O)CN1CC2	ZINC000169317333	206250958	/nfs/dbraw/zinc/25/09/58/206250958.db2.gz	BSAOEOKBHQGEEW-HQCMAJLKSA-N	1	0	365.499	1.072	1	0		FDAFRO
O=C([O-])c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccn2c1=O	ZINC000084729342	132199105	/nfs/dbraw/zinc/19/91/05/132199105.db2.gz	ZIOKDFIGZMMNDZ-UHFFFAOYSA-N	1	0	364.405	1.715	1	0		FDAFRO
C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1)c1ccccn1	ZINC000095583787	132215799	/nfs/dbraw/zinc/21/57/99/132215799.db2.gz	ZBHPPMORCCNMSS-ZDUSSCGKSA-N	1	0	365.441	1.528	1	0		FDAFRO
NC(=O)C[NH+]1CCC(n2cc(-c3cccc(O)c3)c3c2ncnc3N)CC1	ZINC000000590741	219304735	/nfs/dbraw/zinc/30/47/35/219304735.db2.gz	CHWHVQUNCYDPDK-UHFFFAOYSA-N	1	0	366.425	1.508	1	0		FDAFRO
CC1(C)C[C@@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)[NH2+]1	ZINC000040466399	205071738	/nfs/dbraw/zinc/07/17/38/205071738.db2.gz	LZQKWFIXEGXLQU-HNNXBMFYSA-N	1	0	357.454	1.956	1	0		FDAFRO
C/C=C/C[C@@H]1C[NH2+][C@@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12	ZINC000169323762	206250758	/nfs/dbraw/zinc/25/07/58/206250758.db2.gz	ROOMXEZZOCZIFM-AHVDYJSASA-N	1	0	351.491	1.319	1	0		FDAFRO
Cc1ncc2c(n1)[C@@H]1Oc3c4c(ccc3O)C[C@@H]3[N@H+](C)CC[C@@]41[C@@]3(O)C2	ZINC000169366290	206253747	/nfs/dbraw/zinc/25/37/47/206253747.db2.gz	OCIKRCLBDNYUFW-VVHHDAOASA-N	1	0	351.406	1.410	1	0		FDAFRO
COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@@H+]2C[C@@](O)(C(C)=O)[C@@H]1C[C@H]23	ZINC000095912708	560055031	/nfs/dbraw/zinc/05/50/31/560055031.db2.gz	KTEDEOXQNICGRJ-NNSOFZPJSA-N	1	0	354.406	1.205	1	0	biogenic,in-vitro	FDAFRO
O=C1C[C@@H]2OCCC=C3C[N@H+]4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@@H]3C[C@@]46O	ZINC000085531694	291044494	/nfs/dbraw/zinc/04/44/94/291044494.db2.gz	UTVIOYRWOYRRCO-NPOHQUPQSA-N	1	0	364.445	1.803	1	0	biogenic,in-vitro	FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](N3CCCOC3=O)CN1CC2	ZINC000036399326	205016791	/nfs/dbraw/zinc/01/67/91/205016791.db2.gz	NSDPVRNHTOFONC-JYJNAYRXSA-N	1	0	361.442	1.545	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCNC(=O)[C@@H](O)c2ccccc2)C(C)(C)[NH2+]1	ZINC000040617211	205074942	/nfs/dbraw/zinc/07/49/42/205074942.db2.gz	ABGNBZYWJINTLG-INIZCTEOSA-N	1	0	359.470	1.429	1	0		FDAFRO
C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000169177555	206249232	/nfs/dbraw/zinc/24/92/32/206249232.db2.gz	YSOGVALWKIZBQN-FEEGVUEMSA-N	1	0	355.434	1.771	1	0		FDAFRO
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@H](C2)[N@@H+](CC2CCC2)CC[C@@]314	ZINC000004475308	204140266	/nfs/dbraw/zinc/14/02/66/204140266.db2.gz	NETZHAKZCGBWSS-WPCMGHOJSA-N	1	0	357.450	1.707	1	0		FDAFRO
NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040892539	205084191	/nfs/dbraw/zinc/08/41/91/205084191.db2.gz	BCCCNPNAGFNEMJ-VAKZPMALSA-N	1	0	354.450	1.740	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)Oc4ccccc4)C3)c12	ZINC000053230326	205192292	/nfs/dbraw/zinc/19/22/92/205192292.db2.gz	NRQNWBSCBCFFDZ-LJQANCHMSA-N	1	0	366.425	1.963	1	0		FDAFRO
CCCCCc1nc(-c2ccc(CNC(=O)[C@H]3[NH2+]CC[C@@H]3O)cc2)no1	ZINC000058494483	205275505	/nfs/dbraw/zinc/27/55/05/205275505.db2.gz	APBXTTPJGSJQBJ-RDJZCZTQSA-N	1	0	358.442	1.808	1	0		FDAFRO
CCCc1cc(=O)[nH]c(-c2cccc(CN3CC[N@H+](C)[C@@H](CCO)C3)c2)n1	ZINC000023145583	206336169	/nfs/dbraw/zinc/33/61/69/206336169.db2.gz	WQTNMMXUEGTZBJ-IBGZPJMESA-N	1	0	370.497	1.888	1	0		FDAFRO
Nc1ncc(-c2nc3cc(C4C[NH2+]C4)sc3c(N3CCOCC3)n2)cn1	ZINC000095580299	132215761	/nfs/dbraw/zinc/21/57/61/132215761.db2.gz	XFGIBINENFHZSL-UHFFFAOYSA-N	1	0	369.454	1.254	1	0		FDAFRO
CCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2c1=O	ZINC000028642563	207970008	/nfs/dbraw/zinc/97/00/08/207970008.db2.gz	LBLFUKHCSWUXIU-UHFFFAOYSA-N	1	0	358.442	1.316	1	0		FDAFRO
CC(=O)O[C@H]1C=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000036493614	208163445	/nfs/dbraw/zinc/16/34/45/208163445.db2.gz	LMZHAKUXAHOCST-VNTMZGSJSA-N	1	0	371.389	1.890	1	0	in-vivo	FDAFRO
COCCC[C@H]1CCCN(C(=O)CN2CC3(CC2=O)CC[NH+](C)CC3)C1	ZINC000019792891	523495388	/nfs/dbraw/zinc/49/53/88/523495388.db2.gz	JTCSKQYWEXJFJE-QGZVFWFLSA-N	1	0	365.518	1.596	1	0		FDAFRO
CCn1nc(C)c(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)c1C	ZINC000082092194	523645036	/nfs/dbraw/zinc/64/50/36/523645036.db2.gz	VJGHIVZRNGABSL-OAHLLOKOSA-N	1	0	359.478	1.574	1	0		FDAFRO
O=S(=O)(c1cccc2cnccc21)N1CCC2(CC1)C[C@@H](O)CC[NH2+]2	ZINC000096910993	209162220	/nfs/dbraw/zinc/16/22/20/209162220.db2.gz	DWQQZFOOERGYNK-HNNXBMFYSA-N	1	0	361.467	1.502	1	0		FDAFRO
Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1	ZINC000096066344	209105944	/nfs/dbraw/zinc/10/59/44/209105944.db2.gz	YTABLIDMGIUYFV-OWCLPIDISA-N	1	0	356.430	1.076	1	0		FDAFRO
C[NH+]1CCN(c2ccc3c(c2)n2ncc(-c4ccccc4)c2n[n+]3[O-])CC1	ZINC000040420925	136119923	/nfs/dbraw/zinc/11/99/23/136119923.db2.gz	UVHZYPWTZOVPHW-UHFFFAOYSA-N	1	0	360.421	1.935	1	0		FDAFRO
C[NH+]1CCC(CC(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1	ZINC000043012811	581098875	/nfs/dbraw/zinc/09/88/75/581098875.db2.gz	CQFVIOXFJGDFRT-UHFFFAOYSA-N	1	0	368.481	1.844	1	0		FDAFRO
COCCN1Cc2cccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c2C1=O	ZINC000005005922	207071154	/nfs/dbraw/zinc/07/11/54/207071154.db2.gz	FVFBRZCQWVNUHQ-INIZCTEOSA-N	1	0	373.497	1.997	3	0		FDAFRO
O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)N1CCC[NH2+]CC1	ZINC000043079699	208300489	/nfs/dbraw/zinc/30/04/89/208300489.db2.gz	LHXVNDXPHWSUGM-UHFFFAOYSA-N	1	0	355.442	1.001	1	0		FDAFRO
Cn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CC[NH2+]CC3)ccc21	ZINC000003962825	132386036	/nfs/dbraw/zinc/38/60/36/132386036.db2.gz	RSVABANYROVMSW-UHFFFAOYSA-N	1	0	356.451	1.816	1	0		FDAFRO
COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CC[NH2+]CC1	ZINC000095578220	209082603	/nfs/dbraw/zinc/08/26/03/209082603.db2.gz	VIAPGKPJAXZIMP-UHFFFAOYSA-N	1	0	365.455	1.997	1	0		FDAFRO
COc1cc2c(cc1OC)[C@H]1C[C@H]([NH3+])[C@H](N3CC[C@@H](C)CC3=O)CN1CC2	ZINC000114347455	209340651	/nfs/dbraw/zinc/34/06/51/209340651.db2.gz	WVBKPWPUNZOWNG-BVPBIZIASA-N	1	0	373.497	1.961	1	0		FDAFRO
CC[NH+](CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)c1ccccc1	ZINC000096909511	209160497	/nfs/dbraw/zinc/16/04/97/209160497.db2.gz	DQZKWOYYSNKISM-KKSFZXQISA-N	1	0	370.449	1.985	1	0		FDAFRO
Cc1nn(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2cccn21	ZINC000006799514	207166498	/nfs/dbraw/zinc/16/64/98/207166498.db2.gz	UFRSFRXAHMGKGL-UHFFFAOYSA-N	1	0	357.458	1.281	1	0		FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](N3C[C@@H](C)CCC3=O)CN1CC2	ZINC000034506509	208106040	/nfs/dbraw/zinc/10/60/40/208106040.db2.gz	DMHQAAKROHVXNB-MGHWNKPDSA-N	1	0	373.497	1.961	1	0		FDAFRO
CC(C)(C)c1cccc2ncn(CC(=O)C[C@H]3[NH2+]CCC[C@@H]3O)c(=O)c21	ZINC000040556683	208255020	/nfs/dbraw/zinc/25/50/20/208255020.db2.gz	UBMRHVSTRSTSLH-SJORKVTESA-N	1	0	357.454	1.766	1	0		FDAFRO
O=C(C[C@H]1[NH2+]CC[C@@H]1O)Cn1cnc2cccc(C(F)(F)F)c2c1=O	ZINC000043017872	208301395	/nfs/dbraw/zinc/30/13/95/208301395.db2.gz	FHISHYWKRVZXRW-OLZOCXBDSA-N	1	0	355.316	1.097	1	0		FDAFRO
NC(=O)c1nn(CCC[NH3+])c2c1CCc1cnc(Nc3ccccc3)nc1-2	ZINC000053298132	208445739	/nfs/dbraw/zinc/44/57/39/208445739.db2.gz	OXICUMLYVMEXBW-UHFFFAOYSA-N	1	0	363.425	1.630	1	0		FDAFRO
Fc1ccc(OC2CN(c3c4c(nc5ccnn53)CC[NH2+]CC4)C2)cc1	ZINC000066112016	208695386	/nfs/dbraw/zinc/69/53/86/208695386.db2.gz	NQECMVQSEVFPOF-UHFFFAOYSA-N	1	0	353.401	1.824	1	0		FDAFRO
O=S1(=O)C[C@H](N2CC[NH+](CC3CC3)CC2)CN1Cc1ccc(F)cc1	ZINC000095567963	209080912	/nfs/dbraw/zinc/08/09/12/209080912.db2.gz	YSNHSRMRPGCCRO-GOSISDBHSA-N	1	0	367.490	1.367	3	0		FDAFRO
CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)[C@@H](O)c2ccc(O)cc2)cc1	ZINC000028465657	207964117	/nfs/dbraw/zinc/96/41/17/207964117.db2.gz	CTQZIHFMHNGOQK-ORPRQENYSA-N	1	0	374.437	1.802	1	0		FDAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H](O)COC	ZINC000029333217	207988872	/nfs/dbraw/zinc/98/88/72/207988872.db2.gz	YUTQXXYJQOQDDA-GFCCVEGCSA-N	1	0	373.881	1.380	1	0		FDAFRO
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C[C@@H]2CCCO2)[C@H]1O5	ZINC000034118608	208103275	/nfs/dbraw/zinc/10/32/75/208103275.db2.gz	JZVPTJLHOJSOLQ-ZLGPLXALSA-N	1	0	371.433	1.294	1	0		FDAFRO
CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1ccc[nH]1	ZINC000040952854	208276916	/nfs/dbraw/zinc/27/69/16/208276916.db2.gz	NXXSVEQIIURRGX-UHFFFAOYSA-N	1	0	368.401	1.806	1	0		FDAFRO
CSc1nc2ccccc2n1-c1nccc(N2CCN(CC[NH3+])CC2)n1	ZINC000084740966	132199218	/nfs/dbraw/zinc/19/92/18/132199218.db2.gz	PDIZIUAQQHCUEZ-UHFFFAOYSA-N	1	0	369.498	1.618	1	0		FDAFRO
Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(O)c(C(N)=O)c2)CC1	ZINC000026987046	136153385	/nfs/dbraw/zinc/15/33/85/136153385.db2.gz	LVOQULMHVCQIEY-IBGZPJMESA-N	1	0	355.438	1.655	1	0		FDAFRO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)n2)cc1	ZINC000020923975	523299204	/nfs/dbraw/zinc/29/92/04/523299204.db2.gz	QLRKLBMIZOFRCA-OAHLLOKOSA-N	1	0	373.457	1.639	1	0		FDAFRO
CC1(C)C=C(C(=O)NCCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)[NH2+]1	ZINC000101117072	209222391	/nfs/dbraw/zinc/22/23/91/209222391.db2.gz	ZKOUCMGDQSXQPP-KBPBESRZSA-N	1	0	359.470	1.531	1	0		FDAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](N3C[C@H](C)CC3=O)CN1CC2	ZINC000006733241	207158383	/nfs/dbraw/zinc/15/83/83/207158383.db2.gz	NUBNLQCQSWLNCX-ZCPGHIKRSA-N	1	0	359.470	1.571	1	0		FDAFRO
NC(=[NH2+])c1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(=O)[O-])CC3)cc1	ZINC000038158499	208199670	/nfs/dbraw/zinc/19/96/70/208199670.db2.gz	BFUVPZQUWFFCAN-UHFFFAOYSA-N	1	0	352.394	1.666	1	0		FDAFRO
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C[C@H]2CCCO2)[C@H]1O5	ZINC000038174160	208201303	/nfs/dbraw/zinc/20/13/03/208201303.db2.gz	JZVPTJLHOJSOLQ-JAYNPZNESA-N	1	0	371.433	1.294	1	0		FDAFRO
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1C[N@H+](C)CCN1C	ZINC000045257953	208329842	/nfs/dbraw/zinc/32/98/42/208329842.db2.gz	YZUCQNXMDAUAIL-YOEHRIQHSA-N	1	0	351.458	1.862	1	0		FDAFRO
O=c1c(-c2cccs2)nc2cnc(N3CC[NH2+]CC3)nc2n1C1CC1	ZINC000004239165	132386538	/nfs/dbraw/zinc/38/65/38/132386538.db2.gz	AKIQYAWFHOZGTR-UHFFFAOYSA-N	1	0	354.439	1.660	1	0		FDAFRO
O=c1c2c(on1Cc1ccccc1I)CC[NH2+]CC2	ZINC000095589008	209084139	/nfs/dbraw/zinc/08/41/39/209084139.db2.gz	JZNMNGVJKQNDNM-UHFFFAOYSA-N	1	0	370.190	1.782	1	0		FDAFRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CC[C@@H]2C1	ZINC000096082348	209110536	/nfs/dbraw/zinc/11/05/36/209110536.db2.gz	PFWNRPSNLGLQMA-IEBWSBKVSA-N	1	0	357.454	1.977	1	0		FDAFRO
O=C(OC[C@H](NC[C@H]1[NH2+]C[C@H](O)[C@@H]1O)c1ccccc1)c1ccc(F)cc1	ZINC000038361477	208201266	/nfs/dbraw/zinc/20/12/66/208201266.db2.gz	HJZYNVUFUNCDMI-YDZRNGNQSA-N	1	0	374.412	1.007	1	0		FDAFRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C[C@H]2OC[C@@H]([NH3+])[C@@H](C)O2)N1	ZINC000064442609	208612585	/nfs/dbraw/zinc/61/25/85/208612585.db2.gz	DDNHFZCCWQLEDF-CMSAHPHTSA-N	1	0	359.426	1.375	1	0		FDAFRO
CN1CCN(c2nc3c(c(Nc4ccc(F)cc4)n2)CC[NH2+]CC3)CC1	ZINC000096928125	132226491	/nfs/dbraw/zinc/22/64/91/132226491.db2.gz	KMFRBMFITDKXTP-UHFFFAOYSA-N	1	0	356.449	1.799	1	0		FDAFRO
COc1cc2ncnc(N3CC[NH+](CCn4ccnc4)CC3)c2cc1OC	ZINC000028824582	136153477	/nfs/dbraw/zinc/15/34/77/136153477.db2.gz	IPRKWERESIJXJV-UHFFFAOYSA-N	1	0	368.441	1.666	1	0		FDAFRO
CCC[C@@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)C[C@H]1[NH+](C)C	ZINC000082146151	671470348	/nfs/dbraw/zinc/47/03/48/671470348.db2.gz	NIZNBMXEZGUVCL-HUUCEWRRSA-N	1	0	365.503	1.295	1	0		FDAFRO
CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12	ZINC000169299398	209373684	/nfs/dbraw/zinc/37/36/84/209373684.db2.gz	ACFSALJTHZUQDJ-PCPGWFQFSA-N	1	0	369.465	1.886	1	0		FDAFRO
CC[NH+](CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)c1ccccc1	ZINC000096909512	209159898	/nfs/dbraw/zinc/15/98/98/209159898.db2.gz	DQZKWOYYSNKISM-IERDGZPVSA-N	1	0	370.449	1.985	1	0		FDAFRO
Cn1ccc(C(=O)C2CC[NH+]([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1=O	ZINC000096273571	209148935	/nfs/dbraw/zinc/14/89/35/209148935.db2.gz	VUEQNSGUZRWOMA-WOJBJXKFSA-N	1	0	366.461	1.808	1	0		FDAFRO
[O-]c1cc(C2=[NH+]CCN2)ccc1-c1cn(-c2cccc(C3=[NH+]CCN3)c2)nn1	ZINC000045283927	208329495	/nfs/dbraw/zinc/32/94/95/208329495.db2.gz	DRPCIUBTRAQWGL-UHFFFAOYSA-N	1	0	373.420	1.340	1	0		FDAFRO
COCc1ncc(C[NH+]2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cn1	ZINC000091932910	209005861	/nfs/dbraw/zinc/00/58/61/209005861.db2.gz	ULRQVAPYUYVIRT-HNNXBMFYSA-N	1	0	362.474	1.208	1	0		FDAFRO
O=S(=O)(c1n[nH]c2cccc(N3CC[NH2+]CC3)c21)c1cccc(F)c1	ZINC000064453865	136133199	/nfs/dbraw/zinc/13/31/99/136133199.db2.gz	JVYBUDAKIPGWTM-UHFFFAOYSA-N	1	0	360.414	1.944	1	0		FDAFRO
O=c1c2c(on1Cc1cccc(I)c1)CC[NH2+]CC2	ZINC000095590792	209083197	/nfs/dbraw/zinc/08/31/97/209083197.db2.gz	WXDHBRNRXDDXOY-UHFFFAOYSA-N	1	0	370.190	1.782	1	0		FDAFRO
Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cccnc2N)CC1	ZINC000091468620	527071308	/nfs/dbraw/zinc/07/13/08/527071308.db2.gz	VUCNHXXIEILQNK-UHFFFAOYSA-N	1	0	352.446	1.417	1	0		FDAFRO
CC[N@@H+]1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)nc2OC)C1	ZINC000022928205	211369602	/nfs/dbraw/zinc/36/96/02/211369602.db2.gz	UXEPXLWCTJUUTO-NSHDSACASA-N	1	0	355.870	1.151	1	0		FDAFRO
O[C@@H]1CN(Cc2ncc[nH]2)CC[C@H]1[NH+]1CCN(CCc2ccccc2)CC1	ZINC000020208192	211272489	/nfs/dbraw/zinc/27/24/89/211272489.db2.gz	SQEAOEKODCNLOE-WOJBJXKFSA-N	1	0	369.513	1.205	1	0		FDAFRO
C[N@@H+]1CC[C@@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C(C1)[C@H](CC2=O)[C@@H]5[C@H]43	ZINC000001716562	210368284	/nfs/dbraw/zinc/36/82/84/210368284.db2.gz	RNZRHJNFQWMXHB-ZXXLSYNSSA-N	1	0	364.445	1.909	1	0	biogenic,in-vitro	FDAFRO
Cc1c2cc(C)ccc2[nH]c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](O)C1	ZINC000022851209	211365288	/nfs/dbraw/zinc/36/52/88/211365288.db2.gz	QAEGPXZYJKXWAL-NHCUHLMSSA-N	1	0	356.514	1.967	1	0		FDAFRO
COCCOCCC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	ZINC000002001451	210376573	/nfs/dbraw/zinc/37/65/73/210376573.db2.gz	XCIUHSJZVHYEEM-UHFFFAOYSA-N	1	0	364.514	1.753	1	0		FDAFRO
O=C([C@@H]1C[C@@H](O)CC[NH2+]1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21	ZINC000071317626	221340947	/nfs/dbraw/zinc/34/09/47/221340947.db2.gz	LYBWONHSUPIBOF-FIRLOTFOSA-N	1	0	358.482	1.778	1	0		FDAFRO
CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CN(c3ccccc3)CC[NH2+]2)cc1	ZINC000049925450	136123918	/nfs/dbraw/zinc/12/39/18/136123918.db2.gz	PGJYMBMOPPPBME-KRWDZBQOSA-N	1	0	374.466	1.475	1	0		FDAFRO
[NH3+]C1CN(Cc2ccc(CNC(=O)c3csc4[nH]cnc(=O)c34)cc2)C1	ZINC000096933969	222142868	/nfs/dbraw/zinc/14/28/68/222142868.db2.gz	OCLQVUSFLDCONL-UHFFFAOYSA-N	1	0	369.450	1.058	1	0		FDAFRO
CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5	ZINC000169347049	222564799	/nfs/dbraw/zinc/56/47/99/222564799.db2.gz	WANNNLVIJSLAKN-UZWIDFPWSA-N	1	0	369.461	1.993	1	0		FDAFRO
COc1ccc(-c2cc(N3C[C@H]([NH3+])[C@@H](N4CCCCC4=O)C3)ncn2)cn1	ZINC000066079307	221239832	/nfs/dbraw/zinc/23/98/32/221239832.db2.gz	WFQMLNDMSHISPI-HOCLYGCPSA-N	1	0	368.441	1.076	1	0		FDAFRO
NC(=O)[C@@H](CCO)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000066102088	221241192	/nfs/dbraw/zinc/24/11/92/221241192.db2.gz	WHULEAOCUGCQAQ-LJQANCHMSA-N	1	0	353.466	1.630	1	0		FDAFRO
O=S(=O)(c1cccc2cnccc21)N1CCC2(CC[C@@H](O)C[NH2+]2)CC1	ZINC000096911028	222138407	/nfs/dbraw/zinc/13/84/07/222138407.db2.gz	UKZDZCLBQLGUSR-OAHLLOKOSA-N	1	0	361.467	1.502	1	0		FDAFRO
CCN1CC[NH+](C2CCN(c3nccc(-c4cnn(C)c4)n3)CC2)CC1	ZINC000023541068	535648200	/nfs/dbraw/zinc/64/82/00/535648200.db2.gz	IGJCNMJWQGXYJG-UHFFFAOYSA-N	1	0	355.490	1.483	1	0		FDAFRO
C/C=C1/C[N@H+]2CC[C@]3(O)c4ccccc4N4C=C(C(=O)OC)[C@H]1C[C@H]2[C@@]43O	ZINC000013371258	210181838	/nfs/dbraw/zinc/18/18/38/210181838.db2.gz	ABALGCGSAUWIRD-AQENENKKSA-N	1	0	368.433	1.494	1	0		FDAFRO
CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043015238	211784161	/nfs/dbraw/zinc/78/41/61/211784161.db2.gz	SSVQWLGTGLUHIP-HKUYNNGSSA-N	1	0	356.422	1.553	1	0		FDAFRO
COc1cc(Br)c(OC)c(C(=O)NC[C@H]2CCC[NH2+]2)c1OC	ZINC000034343060	211616225	/nfs/dbraw/zinc/61/62/25/211616225.db2.gz	HEYOCUXLIMONNN-SECBINFHSA-N	1	0	373.247	1.957	1	0		FDAFRO
Cc1cccn2c(=O)c(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(O)nc12	ZINC000016689956	211165720	/nfs/dbraw/zinc/16/57/20/211165720.db2.gz	OAMUQVQCGHFEPM-OKILXGFUSA-N	1	0	372.469	1.806	3	0		FDAFRO
C[NH+](C)CCc1c[nH]c2ccc(CN3C(C)(C)CNS3(=O)=O)cc12	ZINC000013738516	211055273	/nfs/dbraw/zinc/05/52/73/211055273.db2.gz	GNNYKNUIVNJLEO-UHFFFAOYSA-N	1	0	350.488	1.701	1	0		FDAFRO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@H](C2)[N@H+](CC2CC2)CC[C@@]314	ZINC000002380374	210394722	/nfs/dbraw/zinc/39/47/22/210394722.db2.gz	DSMNGWOUQMYTJH-VRXWPRPYSA-N	1	0	355.434	1.828	1	0		FDAFRO
C[NH+]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1	ZINC000095555548	132215323	/nfs/dbraw/zinc/21/53/23/132215323.db2.gz	YPNULYBRDBURME-UHFFFAOYSA-N	1	0	360.425	1.570	1	0		FDAFRO
C[NH+](C)CCCN1C(=O)c2cccc3c4c(cc(c32)C1=O)nnn4CCO	ZINC000082153198	221706811	/nfs/dbraw/zinc/70/68/11/221706811.db2.gz	IUQCEFOORKUSKN-UHFFFAOYSA-N	1	0	367.409	1.125	1	0		FDAFRO
CC(C)[NH2+]C[C@H](O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1	ZINC000095552932	221959707	/nfs/dbraw/zinc/95/97/07/221959707.db2.gz	WBJSMBPZUZZBHA-HNNXBMFYSA-N	1	0	353.419	1.839	1	0		FDAFRO
CS(=O)(=O)N1CCC2(CC(C(=O)N3CC[NH+](C4CCC4)CC3)C2)CC1	ZINC000103243066	222328346	/nfs/dbraw/zinc/32/83/46/222328346.db2.gz	LDGJAOJZZQIYNB-UHFFFAOYSA-N	1	0	369.531	1.135	1	0		FDAFRO
CS(=O)(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]1CCc3cc4c(cc3[C@H]21)OCO4	ZINC000013820284	211061428	/nfs/dbraw/zinc/06/14/28/211061428.db2.gz	XBMKQYCFWOWIGM-XUWXXGDYSA-N	1	0	364.467	1.758	1	0		FDAFRO
C[C@@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1)c1ccccn1	ZINC000095583788	132215807	/nfs/dbraw/zinc/21/58/07/132215807.db2.gz	ZBHPPMORCCNMSS-CYBMUJFWSA-N	1	0	365.441	1.528	1	0		FDAFRO
Cn1cc(C[NH2+][C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1	ZINC000064625978	132305146	/nfs/dbraw/zinc/30/51/46/132305146.db2.gz	GTDTZLUWBWWGOJ-INIZCTEOSA-N	1	0	356.474	1.850	1	0		FDAFRO
O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1	ZINC000072480585	221555936	/nfs/dbraw/zinc/55/59/36/221555936.db2.gz	URTJOAWQDBZJRJ-CABCVRRESA-N	1	0	359.861	1.795	1	0		FDAFRO
COC/C=C/c1c(N)n2ncc(-c3cnn(C)c3)c2nc1[C@H]1CCC[NH2+]C1	ZINC000060327801	212020172	/nfs/dbraw/zinc/02/01/72/212020172.db2.gz	ZPUKTVUQNMJSQA-BPJJOFIESA-N	1	0	367.457	1.839	1	0		FDAFRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1	ZINC000016689981	211166073	/nfs/dbraw/zinc/16/60/73/211166073.db2.gz	NPDFNCLCHBATKL-OKILXGFUSA-N	1	0	358.442	1.498	3	0		FDAFRO
[NH3+][C@H]1CN(CCN2CCOCC2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F	ZINC000014958792	211107401	/nfs/dbraw/zinc/10/74/01/211107401.db2.gz	WGSYKGXNTPJZEZ-WBMJQRKESA-N	1	0	357.376	1.079	1	0		FDAFRO
[NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1	ZINC000014947635	211107446	/nfs/dbraw/zinc/10/74/46/211107446.db2.gz	IVWFQGAVBNFSRW-NSHDSACASA-N	1	0	362.236	1.694	1	0		FDAFRO
CNC(=O)c1cnc(NCC[NH3+])nc1Nc1cccc(C(F)(F)F)c1	ZINC000096283860	222111244	/nfs/dbraw/zinc/11/12/44/222111244.db2.gz	WJXFRMGJTKUHRU-UHFFFAOYSA-N	1	0	354.336	1.969	1	0		FDAFRO
COc1ccc2c(CS(=O)(=O)NCC[NH+]3CCCC3)cc(=O)oc2c1	ZINC000103249068	222327863	/nfs/dbraw/zinc/32/78/63/222327863.db2.gz	CNPQBOPDYFKAMD-UHFFFAOYSA-N	1	0	366.439	1.317	1	0		FDAFRO
CCCN1CC[NH+](C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1	ZINC000019745857	519858601	/nfs/dbraw/zinc/85/86/01/519858601.db2.gz	DWSPLMYHHMRUEK-OAQYLSRUSA-N	1	0	359.514	1.876	1	0		FDAFRO
CC[N@H+](CCO)C[C@@H]1CN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1CO	ZINC000091595645	521120495	/nfs/dbraw/zinc/12/04/95/521120495.db2.gz	ZADBQJNQFFXRJJ-ZIAGYGMSSA-N	1	0	361.408	1.768	1	0		FDAFRO
CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cn[nH]c1	ZINC000040835103	581098209	/nfs/dbraw/zinc/09/82/09/581098209.db2.gz	SFFXQQVPUQMHAP-UHFFFAOYSA-N	1	0	369.389	1.201	1	0		FDAFRO
Cc1ccccc1CSc1nc(N)cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1	ZINC000095373877	671523984	/nfs/dbraw/zinc/52/39/84/671523984.db2.gz	NJCQPHQLERUCDZ-GJZGRUSLSA-N	1	0	359.499	1.771	1	0		FDAFRO
Cc1cccn2c(=O)c(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c(O)nc12	ZINC000015962669	220173244	/nfs/dbraw/zinc/17/32/44/220173244.db2.gz	SYBGPAQHRGQBDT-CQSZACIVSA-N	1	0	358.442	1.703	3	0		FDAFRO
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1N1CC[NH2+]CC1	ZINC000016051872	211154367	/nfs/dbraw/zinc/15/43/67/211154367.db2.gz	SORAKBHHTGVZCS-UHFFFAOYSA-N	1	0	365.821	1.301	1	0	in-vivo	FDAFRO
CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccnc1)CC2	ZINC000014994007	211114040	/nfs/dbraw/zinc/11/40/40/211114040.db2.gz	CXJVDMDBYKZJGZ-QGZVFWFLSA-N	1	0	356.474	1.955	1	0		FDAFRO
COc1cccc(OC2CN(c3c4c(nc5ccnn53)CC[NH2+]CC4)C2)c1	ZINC000066100492	221241442	/nfs/dbraw/zinc/24/14/42/221241442.db2.gz	KAXMPFDXCLPAGI-UHFFFAOYSA-N	1	0	365.437	1.694	1	0		FDAFRO
CN(C)c1nc2nc(N3CC[NH2+]CC3)nc(N3CCCC3)c2nc1Cl	ZINC000013782031	132871637	/nfs/dbraw/zinc/87/16/37/132871637.db2.gz	ZHUOBYXGRFSJOZ-UHFFFAOYSA-N	1	0	362.869	1.149	1	0		FDAFRO
CCn1c2nc3n(c2c(=O)n(CC)c1=O)CCCN3CC[NH+]1CCCCC1	ZINC000103249930	222328751	/nfs/dbraw/zinc/32/87/51/222328751.db2.gz	SACMGJBJYOQXHB-UHFFFAOYSA-N	1	0	374.489	1.096	1	0		FDAFRO
CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCNC(=O)N1CCCCC1)C2	ZINC000101505630	222276743	/nfs/dbraw/zinc/27/67/43/222276743.db2.gz	OMTOBJCCJYIKKY-PHZGNYQRSA-N	1	0	352.479	1.923	1	0		FDAFRO
CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2cc(F)ccc2F)[nH]c1=O	ZINC000102973219	222316138	/nfs/dbraw/zinc/31/61/38/222316138.db2.gz	YRMXYQDFDXFFPU-UOUVAZQYSA-N	1	0	372.375	1.020	1	0		FDAFRO
NC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCC[NH2+]CC4)c3)nc21	ZINC000045354385	581100593	/nfs/dbraw/zinc/10/05/93/581100593.db2.gz	APHGQDAJPZCXQQ-UHFFFAOYSA-N	1	0	363.421	1.560	1	0		FDAFRO
Cc1noc(C)c1-c1cc(CC[C@@H]2C[N@H+](CCC(N)=O)CCO2)ncn1	ZINC000257254886	223038450	/nfs/dbraw/zinc/03/84/50/223038450.db2.gz	KFDFILXXNFFYGE-OAHLLOKOSA-N	1	0	359.430	1.257	1	0		FDAFRO
Nc1c2nc[nH]c2c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1Br	ZINC000013802651	211060187	/nfs/dbraw/zinc/06/01/87/211060187.db2.gz	QUOFAOMLWDCZES-LLVKDONJSA-N	1	0	364.247	1.732	1	0		FDAFRO
Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@]4(O)[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314	ZINC000013783446	211059331	/nfs/dbraw/zinc/05/93/31/211059331.db2.gz	NETZHAKZCGBWSS-QANQIFJLSA-N	1	0	357.450	1.707	1	0		FDAFRO
CNS(=O)(=O)c1ccc(CN2CCC[N@H+](Cc3ccncc3)CC2)cc1	ZINC000071575441	221351585	/nfs/dbraw/zinc/35/15/85/221351585.db2.gz	YGEIOHULOGJLBF-UHFFFAOYSA-N	1	0	374.510	1.698	1	0		FDAFRO
O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-n2ccnc2)n1	ZINC000096269620	132224789	/nfs/dbraw/zinc/22/47/89/132224789.db2.gz	LXPMMNROMBQULH-UHFFFAOYSA-N	1	0	354.439	1.991	1	0		FDAFRO
CCOC(=O)C1=C(C[NH2+]C[C@@H]2CCCO2)NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000020213798	520519275	/nfs/dbraw/zinc/51/92/75/520519275.db2.gz	ATSVRKODMOHWJL-MAUKXSAKSA-N	1	0	373.453	1.935	1	0		FDAFRO
Cn1c2c(c(=[NH+]CCC[NH3+])c3ccccc31)[C@@H]1C=C(C(=O)[O-])C=C[C@H]1N2	ZINC000103186539	536328303	/nfs/dbraw/zinc/32/83/03/536328303.db2.gz	ILCGFSZFYCRQFY-HUUCEWRRSA-N	1	0	350.422	1.764	1	0		FDAFRO
CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]12	ZINC000013133396	220059919	/nfs/dbraw/zinc/05/99/19/220059919.db2.gz	ACFSALJTHZUQDJ-VGKBRBPRSA-N	1	0	369.465	1.886	1	0		FDAFRO
COCCOCC[NH2+][C@@H](C)c1cc2cc(S(N)(=O)=O)sc2s1	ZINC000013822170	220096991	/nfs/dbraw/zinc/09/69/91/220096991.db2.gz	IRXHTBCIMPXLHG-VIFPVBQESA-N	1	0	364.514	1.924	1	0		FDAFRO
Cc1cccn2c(=O)c(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c(O)nc12	ZINC000015962671	220173458	/nfs/dbraw/zinc/17/34/58/220173458.db2.gz	SYBGPAQHRGQBDT-AWEZNQCLSA-N	1	0	358.442	1.703	3	0		FDAFRO
CCc1nc2ccc(C(=O)NCC[NH+](C)C)cn2c1N(CC)CCOC	ZINC000061902699	221135525	/nfs/dbraw/zinc/13/55/25/221135525.db2.gz	MNOWBQVIMUFIQW-UHFFFAOYSA-N	1	0	361.490	1.661	3	0		FDAFRO
O=C1NC[C@]2(CCC[NH2+]C2)c2[nH]c(-c3ccnc(-c4cccnc4)n3)cc21	ZINC000071333615	221343536	/nfs/dbraw/zinc/34/35/36/221343536.db2.gz	JCLSXGVSKDLMEO-HXUWFJFHSA-N	1	0	360.421	1.898	1	0		FDAFRO
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(C)=[NH2+])C1	ZINC000103262278	222329138	/nfs/dbraw/zinc/32/91/38/222329138.db2.gz	AEABURVZVCJQRA-GVDBMIGSSA-N	1	0	353.463	1.913	1	0		FDAFRO
COC(=O)[C@@]12C[C@H]3C[C@@H](C(C)=O)[C@@H]1[NH2+]CCc1c4ccccc4n(c12)[C@@H]3O	ZINC000014923232	220136055	/nfs/dbraw/zinc/13/60/55/220136055.db2.gz	LABMZTYYULYXTD-KVSHRIIDSA-N	1	0	368.433	1.686	1	0		FDAFRO
CC(C)[N@H+]1C[C@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@@H](C1)N2C	ZINC000026469347	220512489	/nfs/dbraw/zinc/51/24/89/220512489.db2.gz	RCTRBULBHHRZCA-MQVJKMGUSA-N	1	0	355.486	1.859	1	0		FDAFRO
C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CC[NH+](C)CC5)ccc4CCN3C(=O)[C@@H]12	ZINC000061943134	136132637	/nfs/dbraw/zinc/13/26/37/136132637.db2.gz	GNEUQJSHXXNKAI-DSYPUSFNSA-N	1	0	370.497	1.518	3	0		FDAFRO
CC(C)[NH2+]C[C@@H](O)c1ccc(OC(=O)N(C)C)c(OC(=O)N(C)C)c1	ZINC000095554702	221959561	/nfs/dbraw/zinc/95/95/61/221959561.db2.gz	LCLUYKWWRKZRDD-CYBMUJFWSA-N	1	0	353.419	1.839	1	0		FDAFRO
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1noc(C(C)(C)C)n1	ZINC000028823300	581094193	/nfs/dbraw/zinc/09/41/93/581094193.db2.gz	BJEJUJCBJOADQF-QWRGUYRKSA-N	1	0	354.426	1.877	1	0		FDAFRO
NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4C[NH2+]C4)c(F)c3)nc21	ZINC000045340124	581100797	/nfs/dbraw/zinc/10/07/97/581100797.db2.gz	YXENENUCTAXERH-UHFFFAOYSA-N	1	0	371.347	1.561	1	0		FDAFRO
COC(=O)[C@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CC[N@H+](CC[C@@H]2O)[C@@H]13	ZINC000095912107	291038891	/nfs/dbraw/zinc/03/88/91/291038891.db2.gz	RZPUAAQUCIOUBB-REGGBKMVSA-N	1	0	354.450	1.901	1	0	biogenic,in-vitro	FDAFRO
O=C1C[C@@H](O)[C@H]2[C@@H]3N1c1ccccc1[C@@]31CC[N@H+]3C[C@@H](CCO)[C@@H]2C[C@H]31	ZINC000085531677	291044482	/nfs/dbraw/zinc/04/44/82/291044482.db2.gz	SBHBRKPHBFFIFF-NZPOUFJHSA-N	1	0	354.450	1.127	1	0	biogenic,in-vitro	FDAFRO
CN1CCN(CCc2ccc3[nH]cc(CC[NH+](C)C)c3c2)S1(=O)=O	ZINC000000605248	219304345	/nfs/dbraw/zinc/30/43/45/219304345.db2.gz	CAYIRJBJYNSWEQ-UHFFFAOYSA-N	1	0	350.488	1.307	1	0		FDAFRO
CCN(CC)C(=O)c1c2nncn2c2ncccc2c1N1CC[NH+](C)CC1	ZINC000040873643	136120585	/nfs/dbraw/zinc/12/05/85/136120585.db2.gz	NHKRVPHBSICJEJ-UHFFFAOYSA-N	1	0	367.457	1.511	1	0		FDAFRO
C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12	ZINC000100955921	222258469	/nfs/dbraw/zinc/25/84/69/222258469.db2.gz	LVMRCVQUVVBMHA-HNNXBMFYSA-N	1	0	354.366	1.350	1	0		FDAFRO
COc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3N)CC2)n1	ZINC000029552287	537122646	/nfs/dbraw/zinc/12/26/46/537122646.db2.gz	RWFDZDNBYLWMGL-UHFFFAOYSA-N	1	0	355.442	1.823	1	0		FDAFRO
[NH3+]C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	ZINC000029125800	581098594	/nfs/dbraw/zinc/09/85/94/581098594.db2.gz	UKRSCTZWUITNJP-JTQLQIEISA-N	1	0	355.423	1.668	1	0		FDAFRO
COC(=O)C1=C2Nc3c(cccc3O)[C@]23CC[N@@H+]2C[C@@H](C(C)=O)[C@H]1C[C@@H]23	ZINC000049802402	221027614	/nfs/dbraw/zinc/02/76/14/221027614.db2.gz	LNRAHCYSFBURKI-NSQZSPDQSA-N	1	0	354.406	1.796	1	0		FDAFRO
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc2oc(N3CCOCC3)nc21	ZINC000064539196	221147523	/nfs/dbraw/zinc/14/75/23/221147523.db2.gz	ORJWZBKFHYBQDC-OAHLLOKOSA-N	1	0	356.426	1.488	1	0		FDAFRO
COC(=O)c1cc(Br)cnc1N1CCC([NH2+]CCO)CC1	ZINC000169341678	132261794	/nfs/dbraw/zinc/26/17/94/132261794.db2.gz	PRUVRNXXJNJMFP-UHFFFAOYSA-N	1	0	358.236	1.181	1	0		FDAFRO
CCS(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCNC(=O)c1ccccc1)C2	ZINC000102970689	222316724	/nfs/dbraw/zinc/31/67/24/222316724.db2.gz	XYRGIRFSUXRYDW-OSYLJGHBSA-N	1	0	365.499	1.351	1	0		FDAFRO
[NH3+]C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	ZINC000029125799	581098549	/nfs/dbraw/zinc/09/85/49/581098549.db2.gz	UKRSCTZWUITNJP-SNVBAGLBSA-N	1	0	355.423	1.668	1	0		FDAFRO
O=S(=O)(CCO)N1CCC[C@@H]2C[N@@H+]3CCc4ccccc4[C@@H]3C[C@@H]21	ZINC000013820215	220097221	/nfs/dbraw/zinc/09/72/21/220097221.db2.gz	VIOXFTYKMXXRQA-NJAFHUGGSA-N	1	0	350.484	1.392	1	0		FDAFRO
CN1c2ccccc2S/C1=c1/s/c(=C\c2cccc[n+]2C)n(C)c1=O	ZINC000028100245	220559778	/nfs/dbraw/zinc/55/97/78/220559778.db2.gz	CNPNPRXVYPUTMC-HTXNQAPBSA-N	1	0	368.507	1.408	1	0		FDAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)c(C)sc1C(=O)OC	ZINC000066258548	221243823	/nfs/dbraw/zinc/24/38/23/221243823.db2.gz	QPZUUYMBLIGCJC-GFCCVEGCSA-N	1	0	367.471	1.691	1	0		FDAFRO
O=C1NC[C@@]2(CCC[NH2+]C2)c2[nH]c(-c3ccnc(-c4cccnc4)n3)cc21	ZINC000071333617	221343718	/nfs/dbraw/zinc/34/37/18/221343718.db2.gz	JCLSXGVSKDLMEO-FQEVSTJZSA-N	1	0	360.421	1.898	1	0		FDAFRO
Cc1c2c(OCC[NH+](C)C)cc(O)cc2oc(=O)c1N1CCN(C)CC1	ZINC000096911650	132226254	/nfs/dbraw/zinc/22/62/54/132226254.db2.gz	IPPUPJFOUOLZDB-UHFFFAOYSA-N	1	0	361.442	1.499	1	0		FDAFRO
O=c1cc(N2CC[NH2+]CC2)nc2n(Cc3ccncc3)c3ccccc3n21	ZINC000095590123	136151083	/nfs/dbraw/zinc/15/10/83/136151083.db2.gz	AQQPDNVKRCXRAL-UHFFFAOYSA-N	1	0	360.421	1.502	1	0		FDAFRO
NC(=[NH2+])NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCOCC1	ZINC000103239278	222327811	/nfs/dbraw/zinc/32/78/11/222327811.db2.gz	CPQCPUNZZYSWRG-SFHVURJKSA-N	1	0	369.469	1.742	1	0		FDAFRO
CCOC(=O)C1=C(C[NH2+]C[C@H]2CCCO2)NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000020213810	520519415	/nfs/dbraw/zinc/51/94/15/520519415.db2.gz	ATSVRKODMOHWJL-QAPCUYQASA-N	1	0	373.453	1.935	1	0		FDAFRO
C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2C[NH2+][C@@H]1CC[C@H](O)C1	ZINC000085547777	291042893	/nfs/dbraw/zinc/04/28/93/291042893.db2.gz	NNMNEBUNKSVZBW-GAKVMQIOSA-N	1	0	368.477	1.663	1	0	biogenic,in-vitro	FDAFRO
CN1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)CC1	ZINC000020538877	220334046	/nfs/dbraw/zinc/33/40/46/220334046.db2.gz	CBHVWKZYNMWQAN-WOJBJXKFSA-N	1	0	355.486	1.055	1	0		FDAFRO
[NH3+]CCNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(O)c2)N1	ZINC000049588904	221025838	/nfs/dbraw/zinc/02/58/38/221025838.db2.gz	QCKCFJTWKWDFDH-ROUUACIJSA-N	1	0	350.422	1.552	1	0		FDAFRO
[NH3+]CCNC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(O)c2)N1	ZINC000049588908	221025995	/nfs/dbraw/zinc/02/59/95/221025995.db2.gz	QCKCFJTWKWDFDH-MSOLQXFVSA-N	1	0	350.422	1.552	1	0		FDAFRO
Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)c4ccccc4F)C3)c12	ZINC000053296946	221044601	/nfs/dbraw/zinc/04/46/01/221044601.db2.gz	NDFULCZYGKCLLZ-LJQANCHMSA-N	1	0	368.416	1.743	1	0		FDAFRO
NC(=O)[C@H](CCO)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000066102086	221241839	/nfs/dbraw/zinc/24/18/39/221241839.db2.gz	WHULEAOCUGCQAQ-IBGZPJMESA-N	1	0	353.466	1.630	1	0		FDAFRO
O=C(Cn1ccnc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000064007313	132304831	/nfs/dbraw/zinc/30/48/31/132304831.db2.gz	FQVQVLFWKZKYBH-IBGZPJMESA-N	1	0	371.460	1.835	1	0		FDAFRO
Cn1c2[nH]c(-c3ccc(OCC[NH+]4CCCC4)cc3)nc2c(=O)n(C)c1=O	ZINC000103269590	222331023	/nfs/dbraw/zinc/33/10/23/222331023.db2.gz	GYXMFVFGWSOGMV-UHFFFAOYSA-N	1	0	369.425	1.102	1	0		FDAFRO
C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@@H]3[C@@H](CC[C@@H]3O)[NH2+]2)[C@@]2(O)CN12	ZINC000085547726	291042900	/nfs/dbraw/zinc/04/29/00/291042900.db2.gz	VKSFTTNFMCLOEF-RYUMQABGSA-N	1	0	370.493	1.887	1	0	biogenic,in-vitro	FDAFRO
CC(C)[NH2+]C[C@@H](O)Cn1cnc2c1nc(N)nc2OCc1ccccc1	ZINC000013600896	220078385	/nfs/dbraw/zinc/07/83/85/220078385.db2.gz	IVDIFGANPLLDBR-CQSZACIVSA-N	1	0	356.430	1.346	1	0		FDAFRO
CNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4CCC[NH2+]4)cc3)n2n1	ZINC000058590499	221121525	/nfs/dbraw/zinc/12/15/25/221121525.db2.gz	BNLOSSVAJSTFPG-HNNXBMFYSA-N	1	0	350.426	1.920	1	0		FDAFRO