smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000003838832	483083084	/nfs/dbraw/zinc/08/30/84/483083084.db2.gz	BATSWSYTXABJAO-IHMCHNSPSA-N	1	0	356.379	-3.764	10	0		FAAERO
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@@H](O)[C@H](O)C1	ZINC000003838843	209407396	/nfs/dbraw/zinc/40/73/96/209407396.db2.gz	GUWBUYNLHLKYRH-BZNQNGANSA-N	1	0	356.379	-3.763	10	0		FAAERO
CCCC[C@@H]1CC(=O)[C@]2(O)O[C@H]3[C@H](O[C@@H]2O1)[C@@H](O)[C@H]([NH2+]C)[C@H](O)[C@@H]3NC	ZINC000004214587	482532729	/nfs/dbraw/zinc/53/27/29/482532729.db2.gz	KHAUBYTYGDOYRU-IRXASZMISA-N	1	0	374.434	-1.755	10	0	investigational	FAAERO
C[NH2+]CC(=O)N[C@@H]1C=C(C(=O)N[C@H](CC(N)=O)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000004221601	483724302	/nfs/dbraw/zinc/72/43/02/483724302.db2.gz	TWJSBQTZNKKVGO-MFYTUXHUSA-N	1	0	357.367	-4.412	10	0		FAAERO
N=C(CC[S@](=O)Cc1csc(NC(N)=[NH2+])n1)NS(N)(=O)=O	ZINC000006057215	219711188	/nfs/dbraw/zinc/71/11/88/219711188.db2.gz	LAZSSGBZNCVJCB-HXUWFJFHSA-N	1	0	353.455	-1.142	10	0	in-vitro	FAAERO
[NH3+]C[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000006090938	204237388	/nfs/dbraw/zinc/23/73/88/204237388.db2.gz	UNJJHOQIVSZFDN-RRKCRQDMSA-N	1	0	353.116	-1.252	10	0		FAAERO
[NH2+]=C1N[C@H]2[C@H](CO)NC(=[NH2+])N3C[C@@H](OS(=O)(=O)[O-])C(O)(O)[C@]23N1	ZINC000014508331	291020580	/nfs/dbraw/zinc/02/05/80/291020580.db2.gz	AJLCXXKDNUGKKH-WVBYAZCYSA-N	1	0	352.329	-4.738	10	0	endogenous,in-man	FAAERO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	ZINC000015721412	483131499	/nfs/dbraw/zinc/13/14/99/483131499.db2.gz	GFRBLKXVLQKZLF-YUMQZZPRSA-N	1	0	359.387	-3.601	10	0		FAAERO
Nc1nc(=O)n([C@@H]2O[C@H](C[NH3+])[C@H](O)[C@H]2F)cc1I	ZINC000026390900	207913963	/nfs/dbraw/zinc/91/39/63/207913963.db2.gz	PLTHDZDHDMWBBR-MNCSTQPFSA-N	1	0	370.122	-1.015	10	0		FAAERO
C[NH+](C)CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000031576435	210245435	/nfs/dbraw/zinc/24/54/35/210245435.db2.gz	WEUJLXAEIWOAFC-AEISUSGSSA-N	1	0	351.367	-2.295	10	0		FAAERO
CCC[C@H]([NH3+])C(=O)N[C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O	ZINC000033821446	482705393	/nfs/dbraw/zinc/70/53/93/482705393.db2.gz	NWKNSTYARDJRIZ-IEUWZBGXSA-N	1	0	365.394	-1.729	10	0	in-vitro	FAAERO
CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[C@@H](C)O	ZINC000039797778	483691646	/nfs/dbraw/zinc/69/16/46/483691646.db2.gz	DAYQSYGBCUKVKT-VOAKCMCISA-N	1	0	360.455	-1.076	10	0		FAAERO
C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000039829090	483282685	/nfs/dbraw/zinc/28/26/85/483282685.db2.gz	DFCIPNHFKOQAME-FXQIFTODSA-N	1	0	359.387	-3.474	10	0		FAAERO
C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000039829095	482775574	/nfs/dbraw/zinc/77/55/74/482775574.db2.gz	GXCSUJQOECMKPV-CIUDSAMLSA-N	1	0	373.414	-3.083	10	0		FAAERO
C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000039831636	483691390	/nfs/dbraw/zinc/69/13/90/483691390.db2.gz	INOIAEUXVVNJKA-XGEHTFHBSA-N	1	0	362.387	-3.996	10	0		FAAERO
CC(C)[C@H]([NH3+])C(=O)OC[C@H](O)COCn1cnc2c1nc(N)[nH]c2=O	ZINC000077301553	571207085	/nfs/dbraw/zinc/20/70/85/571207085.db2.gz	RNBGQKJHNTUYCU-BDAKNGLRSA-N	1	0	354.367	-1.437	10	0	in-vitro	FAAERO
CC(C)[C@@H]([NH3+])C(=O)OC[C@@H](O)COCn1cnc2c1nc(N)[nH]c2=O	ZINC000077301558	483585745	/nfs/dbraw/zinc/58/57/45/483585745.db2.gz	RNBGQKJHNTUYCU-DTWKUNHWSA-N	1	0	354.367	-1.437	10	0	in-vitro	FAAERO
CN(CCCC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)N=O	ZINC000077303216	208897169	/nfs/dbraw/zinc/89/71/69/208897169.db2.gz	XEFKJNZBBVEVBP-IBEHDNSVSA-N	1	0	370.382	-1.477	10	0	in-vitro	FAAERO
CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@H](NC)[C@@H](O)[C@H]([NH2+]C)[C@H](O)[C@H]3O[C@@H]2O1	ZINC000077319946	571207186	/nfs/dbraw/zinc/20/71/86/571207186.db2.gz	KHAUBYTYGDOYRU-UQRCKWNESA-N	1	0	374.434	-1.755	10	0	in-vitro	FAAERO
CCCC[C@H]1CC(=O)[C@]2(O)O[C@@H]3[C@H](NC)[C@@H](O)[C@H]([NH2+]C)[C@H](O)[C@H]3O[C@@H]2O1	ZINC000077319948	571207342	/nfs/dbraw/zinc/20/73/42/571207342.db2.gz	KHAUBYTYGDOYRU-ZWYRKAPDSA-N	1	0	374.434	-1.755	10	0	in-vitro	FAAERO
COCCNc1nc(NC[C@H](O)COC)nc(NC[C@H](O)COC)[nH+]1	ZINC000083911680	658865530	/nfs/dbraw/zinc/86/55/30/658865530.db2.gz	BGVKTCKOSFRGLZ-QWRGUYRKSA-N	1	0	360.415	-1.232	10	0		FAAERO
COCCNc1nc(NC[C@@H](O)COC)nc(NC[C@@H](O)COC)[nH+]1	ZINC000083911692	658865764	/nfs/dbraw/zinc/86/57/64/658865764.db2.gz	BGVKTCKOSFRGLZ-GHMZBOCLSA-N	1	0	360.415	-1.232	10	0		FAAERO
Cn1c2ncn(CCN3CCO[C@H](C[NH+](C)C)C3)c2c(=O)n(C)c1=O	ZINC000155310862	482722315	/nfs/dbraw/zinc/72/23/15/482722315.db2.gz	SXDQWUDOOZTLBH-GFCCVEGCSA-N	1	0	350.423	-1.304	10	0		FAAERO
Cn1c2ncn(CCN3CCO[C@@H](C[NH+](C)C)C3)c2c(=O)n(C)c1=O	ZINC000155310970	272805366	/nfs/dbraw/zinc/80/53/66/272805366.db2.gz	SXDQWUDOOZTLBH-LBPRGKRZSA-N	1	0	350.423	-1.304	10	0		FAAERO
CC[C@H](O)C[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1	ZINC000173454967	482756145	/nfs/dbraw/zinc/75/61/45/482756145.db2.gz	HIRPVZFDYCFWRR-NSHDSACASA-N	1	0	350.423	-1.151	10	0		FAAERO
CC[C@@H](O)C[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1	ZINC000173454979	482756103	/nfs/dbraw/zinc/75/61/03/482756103.db2.gz	HIRPVZFDYCFWRR-LLVKDONJSA-N	1	0	350.423	-1.151	10	0		FAAERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1	ZINC000181611619	483266021	/nfs/dbraw/zinc/26/60/21/483266021.db2.gz	CPDMLFSVDYKBPS-OAHLLOKOSA-N	1	0	366.466	-1.165	10	0		FAAERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1	ZINC000181611641	483266384	/nfs/dbraw/zinc/26/63/84/483266384.db2.gz	CPDMLFSVDYKBPS-HNNXBMFYSA-N	1	0	366.466	-1.165	10	0		FAAERO
C[C@H](O)C[N@@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1C	ZINC000247871760	483606269	/nfs/dbraw/zinc/60/62/69/483606269.db2.gz	XSCAEUVOJKUHIM-MNOVXSKESA-N	1	0	350.423	-1.153	10	0		FAAERO
C[C@H](O)C[N@@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1C	ZINC000247871766	483606181	/nfs/dbraw/zinc/60/61/81/483606181.db2.gz	XSCAEUVOJKUHIM-QWRGUYRKSA-N	1	0	350.423	-1.153	10	0		FAAERO
[NH3+][C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCOCC1	ZINC000261749408	272806116	/nfs/dbraw/zinc/80/61/16/272806116.db2.gz	LCDRNZGBCMDNRJ-INIZCTEOSA-N	1	0	354.451	-1.257	10	0		FAAERO
[NH3+][C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCOCC1	ZINC000261749412	483308547	/nfs/dbraw/zinc/30/85/47/483308547.db2.gz	LCDRNZGBCMDNRJ-MRXNPFEDSA-N	1	0	354.451	-1.257	10	0		FAAERO
[NH3+][C@@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1	ZINC000261818284	483308183	/nfs/dbraw/zinc/30/81/83/483308183.db2.gz	PFMGQQAFOBZPEJ-GDBMZVCRSA-N	1	0	354.451	-1.210	10	0		FAAERO
[NH3+][C@@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1	ZINC000261818287	483308078	/nfs/dbraw/zinc/30/80/78/483308078.db2.gz	PFMGQQAFOBZPEJ-GOEBONIOSA-N	1	0	354.451	-1.210	10	0		FAAERO
[NH3+][C@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1	ZINC000261818289	483307746	/nfs/dbraw/zinc/30/77/46/483307746.db2.gz	PFMGQQAFOBZPEJ-HOCLYGCPSA-N	1	0	354.451	-1.210	10	0		FAAERO
[NH3+][C@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1	ZINC000261818291	483308538	/nfs/dbraw/zinc/30/85/38/483308538.db2.gz	PFMGQQAFOBZPEJ-ZBFHGGJFSA-N	1	0	354.451	-1.210	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1	ZINC000261878561	483517016	/nfs/dbraw/zinc/51/70/16/483517016.db2.gz	YTMUOLIQZHVJKY-HUUCEWRRSA-N	1	0	373.523	-1.002	10	0		FAAERO
COC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000262023228	272806563	/nfs/dbraw/zinc/80/65/63/272806563.db2.gz	DDBHMIUDUHKVSZ-GFCCVEGCSA-N	1	0	356.404	-1.281	10	0		FAAERO
COC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000262023232	483308655	/nfs/dbraw/zinc/30/86/55/483308655.db2.gz	DDBHMIUDUHKVSZ-LBPRGKRZSA-N	1	0	356.404	-1.281	10	0		FAAERO
COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1	ZINC000262076858	272806851	/nfs/dbraw/zinc/80/68/51/272806851.db2.gz	CCWBYKUSVNXLCX-GXTWGEPZSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1	ZINC000262076859	483519976	/nfs/dbraw/zinc/51/99/76/483519976.db2.gz	CCWBYKUSVNXLCX-JSGCOSHPSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1	ZINC000262076860	272806562	/nfs/dbraw/zinc/80/65/62/272806562.db2.gz	CCWBYKUSVNXLCX-OCCSQVGLSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1	ZINC000262076861	483519923	/nfs/dbraw/zinc/51/99/23/483519923.db2.gz	CCWBYKUSVNXLCX-TZMCWYRMSA-N	1	0	357.432	-1.079	10	0		FAAERO
[NH3+][C@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCOCC1	ZINC000262141413	483308388	/nfs/dbraw/zinc/30/83/88/483308388.db2.gz	XDRIJCNBRLZVDP-INIZCTEOSA-N	1	0	354.451	-1.257	10	0		FAAERO
[NH3+][C@@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCOCC1	ZINC000262141415	483308012	/nfs/dbraw/zinc/30/80/12/483308012.db2.gz	XDRIJCNBRLZVDP-MRXNPFEDSA-N	1	0	354.451	-1.257	10	0		FAAERO
CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000262154540	657863513	/nfs/dbraw/zinc/86/35/13/657863513.db2.gz	ODQAFCMHGPTPQY-UONOGXRCSA-N	1	0	361.512	-1.004	10	0		FAAERO
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000262154542	658041960	/nfs/dbraw/zinc/04/19/60/658041960.db2.gz	ODQAFCMHGPTPQY-ZIAGYGMSSA-N	1	0	361.512	-1.004	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)CC1	ZINC000262200079	483526654	/nfs/dbraw/zinc/52/66/54/483526654.db2.gz	VUZLNELRYQKTDF-AWEZNQCLSA-N	1	0	359.496	-1.378	10	0		FAAERO
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262202734	483526282	/nfs/dbraw/zinc/52/62/82/483526282.db2.gz	IILRQSXVZSBBHT-CABCVRRESA-N	1	0	358.398	-1.245	10	0		FAAERO
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262202737	483526827	/nfs/dbraw/zinc/52/68/27/483526827.db2.gz	IILRQSXVZSBBHT-GJZGRUSLSA-N	1	0	358.398	-1.245	10	0		FAAERO
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262202739	272806520	/nfs/dbraw/zinc/80/65/20/272806520.db2.gz	IILRQSXVZSBBHT-HUUCEWRRSA-N	1	0	358.398	-1.245	10	0		FAAERO
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262202741	483526806	/nfs/dbraw/zinc/52/68/06/483526806.db2.gz	IILRQSXVZSBBHT-LSDHHAIUSA-N	1	0	358.398	-1.245	10	0		FAAERO
COC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000262219148	483310176	/nfs/dbraw/zinc/31/01/76/483310176.db2.gz	FNJLYIZXLCUZIS-AVGNSLFASA-N	1	0	364.468	-1.542	10	0		FAAERO
COC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000262219150	483310217	/nfs/dbraw/zinc/31/02/17/483310217.db2.gz	FNJLYIZXLCUZIS-FRRDWIJNSA-N	1	0	364.468	-1.542	10	0		FAAERO
COC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000262219151	483309957	/nfs/dbraw/zinc/30/99/57/483309957.db2.gz	FNJLYIZXLCUZIS-UPJWGTAASA-N	1	0	364.468	-1.542	10	0		FAAERO
COC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000262219152	483309310	/nfs/dbraw/zinc/30/93/10/483309310.db2.gz	FNJLYIZXLCUZIS-XQQFMLRXSA-N	1	0	364.468	-1.542	10	0		FAAERO
COC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000262232046	483309739	/nfs/dbraw/zinc/30/97/39/483309739.db2.gz	GYMOZUIZDGRZOB-CYBMUJFWSA-N	1	0	371.463	-1.377	10	0		FAAERO
COC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000262232052	483309839	/nfs/dbraw/zinc/30/98/39/483309839.db2.gz	GYMOZUIZDGRZOB-ZDUSSCGKSA-N	1	0	371.463	-1.377	10	0		FAAERO
COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1	ZINC000262253804	272806460	/nfs/dbraw/zinc/80/64/60/272806460.db2.gz	LSRYCEMKJOYWDP-GXTWGEPZSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262253809	272806408	/nfs/dbraw/zinc/80/64/08/272806408.db2.gz	LSRYCEMKJOYWDP-JSGCOSHPSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262253813	483530523	/nfs/dbraw/zinc/53/05/23/483530523.db2.gz	LSRYCEMKJOYWDP-OCCSQVGLSA-N	1	0	357.432	-1.079	10	0		FAAERO
COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1	ZINC000262253817	483529415	/nfs/dbraw/zinc/52/94/15/483529415.db2.gz	LSRYCEMKJOYWDP-TZMCWYRMSA-N	1	0	357.432	-1.079	10	0		FAAERO
O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262253905	483530232	/nfs/dbraw/zinc/53/02/32/483530232.db2.gz	LTTCNRDXCKJDJW-GXTWGEPZSA-N	1	0	355.416	-1.308	10	0		FAAERO
O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262253907	272806602	/nfs/dbraw/zinc/80/66/02/272806602.db2.gz	LTTCNRDXCKJDJW-JSGCOSHPSA-N	1	0	355.416	-1.308	10	0		FAAERO
O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262253909	272806840	/nfs/dbraw/zinc/80/68/40/272806840.db2.gz	LTTCNRDXCKJDJW-OCCSQVGLSA-N	1	0	355.416	-1.308	10	0		FAAERO
O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262253912	483529396	/nfs/dbraw/zinc/52/93/96/483529396.db2.gz	LTTCNRDXCKJDJW-TZMCWYRMSA-N	1	0	355.416	-1.308	10	0		FAAERO
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	ZINC000262260098	272806690	/nfs/dbraw/zinc/80/66/90/272806690.db2.gz	MDNJZAXPBLCSFI-ZWNOBZJWSA-N	1	0	358.420	-1.654	10	0		FAAERO
[NH3+]CC1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCOCC1	ZINC000262342210	483309939	/nfs/dbraw/zinc/30/99/39/483309939.db2.gz	TWUGZGFWICFRHW-AWEZNQCLSA-N	1	0	354.451	-1.209	10	0		FAAERO
[NH3+]CC1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCOCC1	ZINC000262342212	483309680	/nfs/dbraw/zinc/30/96/80/483309680.db2.gz	TWUGZGFWICFRHW-CQSZACIVSA-N	1	0	354.451	-1.209	10	0		FAAERO
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262348359	657321082	/nfs/dbraw/zinc/32/10/82/657321082.db2.gz	UHOOVHGJSMVKHS-JBLDHEPKSA-N	1	0	352.416	-1.190	10	0		FAAERO
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262348362	657877524	/nfs/dbraw/zinc/87/75/24/657877524.db2.gz	UHOOVHGJSMVKHS-NHCYSSNCSA-N	1	0	352.416	-1.190	10	0		FAAERO
[NH3+]CC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCOCC1	ZINC000262365961	657878861	/nfs/dbraw/zinc/87/88/61/657878861.db2.gz	VRSWGTXLQKCYRK-UHFFFAOYSA-N	1	0	354.451	-1.255	10	0		FAAERO
COC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000262375703	657879003	/nfs/dbraw/zinc/87/90/03/657879003.db2.gz	XFUONLUIYCXHLV-CYBMUJFWSA-N	1	0	350.423	-1.065	10	0		FAAERO
COC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000262375704	657878917	/nfs/dbraw/zinc/87/89/17/657878917.db2.gz	XFUONLUIYCXHLV-ZDUSSCGKSA-N	1	0	350.423	-1.065	10	0		FAAERO
[NH3+]CC1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCOCC1	ZINC000262379699	657373864	/nfs/dbraw/zinc/37/38/64/657373864.db2.gz	WXCGKGQCTUNWDN-UHFFFAOYSA-N	1	0	354.451	-1.255	10	0		FAAERO
CN(CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)C1=NS(=O)(=O)c2ccccc21	ZINC000262414707	657879657	/nfs/dbraw/zinc/87/96/57/657879657.db2.gz	ZNRHFOIGGDHOSX-CMPLNLGQSA-N	1	0	352.416	-1.236	10	0		FAAERO
CN(CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)C1=NS(=O)(=O)c2ccccc21	ZINC000262414711	657880187	/nfs/dbraw/zinc/88/01/87/657880187.db2.gz	ZNRHFOIGGDHOSX-JQWIXIFHSA-N	1	0	352.416	-1.236	10	0		FAAERO
CN(CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)C1=NS(=O)(=O)c2ccccc21	ZINC000262414715	657879844	/nfs/dbraw/zinc/87/98/44/657879844.db2.gz	ZNRHFOIGGDHOSX-PWSUYJOCSA-N	1	0	352.416	-1.236	10	0		FAAERO
CN(CC(=O)NC[C@H]1C[NH2+]C[C@H]1O)C1=NS(=O)(=O)c2ccccc21	ZINC000262414719	657879603	/nfs/dbraw/zinc/87/96/03/657879603.db2.gz	ZNRHFOIGGDHOSX-ZYHUDNBSSA-N	1	0	352.416	-1.236	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CC1	ZINC000262648734	483561151	/nfs/dbraw/zinc/56/11/51/483561151.db2.gz	UGVGHOMWLYHDAI-KBPBESRZSA-N	1	0	359.496	-1.250	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1	ZINC000262648735	483561542	/nfs/dbraw/zinc/56/15/42/483561542.db2.gz	UGVGHOMWLYHDAI-KGLIPLIRSA-N	1	0	359.496	-1.250	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1	ZINC000262648736	482533619	/nfs/dbraw/zinc/53/36/19/482533619.db2.gz	UGVGHOMWLYHDAI-UONOGXRCSA-N	1	0	359.496	-1.250	10	0		FAAERO
CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1	ZINC000262648737	483561058	/nfs/dbraw/zinc/56/10/58/483561058.db2.gz	UGVGHOMWLYHDAI-ZIAGYGMSSA-N	1	0	359.496	-1.250	10	0		FAAERO
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000263252949	483589898	/nfs/dbraw/zinc/58/98/98/483589898.db2.gz	PPERXLREWCCHGA-HNNXBMFYSA-N	1	0	360.422	-1.128	10	0		FAAERO
Cn1c2ncn(CCN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2c(=O)n(C)c1=O	ZINC000329196063	657770355	/nfs/dbraw/zinc/77/03/55/657770355.db2.gz	UOAOLIGEGNNWSM-WDEREUQCSA-N	1	0	367.431	-1.447	10	0		FAAERO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O	ZINC000584605869	483283551	/nfs/dbraw/zinc/28/35/51/483283551.db2.gz	KUHCDMJKNYYXIR-RWRJDSDZSA-N	1	0	359.427	-2.539	10	0		FAAERO