smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN([C@H]2[C@@H](C[NH2+]Cc3ccc(F)cc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465189	484251466	/nfs/dbraw/zinc/25/14/66/484251466.db2.gz	UIYSCKUSQQEWAS-VSZNYVQBSA-N	2	1	353.438	-0.348	10	0		FBAEMP
CCC[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(=O)COC)C3)CC1	ZINC000065404897	205347125	/nfs/dbraw/zinc/34/71/25/205347125.db2.gz	AIEAJPWMCBBWSN-CRAIPNDOSA-N	2	1	352.479	-0.375	10	0		FBAEMP
Cc1ccc(C2(C[N@@H+]3CCN4C(=O)CN(C)C(=O)[C@@H]4C3)CC[NH2+]CC2)nc1	ZINC000067642484	221265543	/nfs/dbraw/zinc/26/55/43/221265543.db2.gz	GWLDXTUINZDVFB-INIZCTEOSA-N	2	1	371.485	-0.004	10	0		FBAEMP
Cc1ccc(C2(C[N@@H+]3CCN4C(=O)CN(C)C(=O)[C@H]4C3)CC[NH2+]CC2)nc1	ZINC000067642487	205378141	/nfs/dbraw/zinc/37/81/41/205378141.db2.gz	GWLDXTUINZDVFB-MRXNPFEDSA-N	2	1	371.485	-0.004	10	0		FBAEMP
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)CC[NH2+]1	ZINC000091737511	661813220	/nfs/dbraw/zinc/81/32/20/661813220.db2.gz	XZZFQCBJVTZIEV-OCCSQVGLSA-N	2	1	352.460	-0.158	10	0		FBAEMP
COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O	ZINC000092004464	661814374	/nfs/dbraw/zinc/81/43/74/661814374.db2.gz	AVLKJOMKBICLGY-SFHVURJKSA-N	2	1	352.479	-0.279	10	0		FBAEMP
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C3CC[NH2+]CC3)[C@@H]2O)cc1	ZINC000096296122	484865931	/nfs/dbraw/zinc/86/59/31/484865931.db2.gz	GMBNCCPTXVMVRV-ZACQAIPSSA-N	2	1	369.487	-0.257	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1	ZINC000106100070	535119113	/nfs/dbraw/zinc/11/91/13/535119113.db2.gz	PGXAPHZZUOHDFX-KZNAEPCWSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1	ZINC000106100070	535119108	/nfs/dbraw/zinc/11/91/08/535119108.db2.gz	PGXAPHZZUOHDFX-KZNAEPCWSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1	ZINC000106100070	535119105	/nfs/dbraw/zinc/11/91/05/535119105.db2.gz	PGXAPHZZUOHDFX-KZNAEPCWSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1	ZINC000106100072	535119177	/nfs/dbraw/zinc/11/91/77/535119177.db2.gz	PGXAPHZZUOHDFX-RCCFBDPRSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1	ZINC000106100072	535119172	/nfs/dbraw/zinc/11/91/72/535119172.db2.gz	PGXAPHZZUOHDFX-RCCFBDPRSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C1	ZINC000106100072	535119169	/nfs/dbraw/zinc/11/91/69/535119169.db2.gz	PGXAPHZZUOHDFX-RCCFBDPRSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)N3CCOCC3)CC2)C1	ZINC000106121293	243141889	/nfs/dbraw/zinc/14/18/89/243141889.db2.gz	NZQMKTQIPNXNQC-GOSISDBHSA-N	2	1	368.522	-0.038	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)N3CCOCC3)CC2)C1	ZINC000106121296	535216101	/nfs/dbraw/zinc/21/61/01/535216101.db2.gz	NZQMKTQIPNXNQC-SFHVURJKSA-N	2	1	368.522	-0.038	10	0		FBAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC1	ZINC000106125154	483888366	/nfs/dbraw/zinc/88/83/66/483888366.db2.gz	MWFYFKPPKRZJSP-HNNXBMFYSA-N	2	1	354.495	-0.250	10	0		FBAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC1	ZINC000106125157	483888292	/nfs/dbraw/zinc/88/82/92/483888292.db2.gz	MWFYFKPPKRZJSP-OAHLLOKOSA-N	2	1	354.495	-0.250	10	0		FBAEMP
CC[C@H](O)C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000118857446	243163428	/nfs/dbraw/zinc/16/34/28/243163428.db2.gz	GEAOVXGQCHJVCO-ZWKOTPCHSA-N	2	1	370.538	-0.152	10	0		FBAEMP
CC[C@@H](O)C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000118857448	535813188	/nfs/dbraw/zinc/81/31/88/535813188.db2.gz	GEAOVXGQCHJVCO-QZTJIDSGSA-N	2	1	370.538	-0.152	10	0		FBAEMP
CC[C@H](O)C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000118857450	243164941	/nfs/dbraw/zinc/16/49/41/243164941.db2.gz	GEAOVXGQCHJVCO-ROUUACIJSA-N	2	1	370.538	-0.152	10	0		FBAEMP
CC[C@@H](O)C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000118857452	535813102	/nfs/dbraw/zinc/81/31/02/535813102.db2.gz	GEAOVXGQCHJVCO-MSOLQXFVSA-N	2	1	370.538	-0.152	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)ncn3)C[C@H]21	ZINC000127198553	536438950	/nfs/dbraw/zinc/43/89/50/536438950.db2.gz	FMRRZYHGCXCDJX-GEEKYZPCSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)ncn3)C[C@H]21	ZINC000127198553	536438949	/nfs/dbraw/zinc/43/89/49/536438949.db2.gz	FMRRZYHGCXCDJX-GEEKYZPCSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)ncn3)C[C@@H]21	ZINC000127198553	536438945	/nfs/dbraw/zinc/43/89/45/536438945.db2.gz	FMRRZYHGCXCDJX-GEEKYZPCSA-N	2	1	360.462	-0.485	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H](C[NH+](C)C)C2)C1	ZINC000155336691	535119202	/nfs/dbraw/zinc/11/92/02/535119202.db2.gz	WODNJYYLICHEQK-IAGOWNOFSA-N	2	1	356.511	-0.278	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@H](C[NH+](C)C)C2)C1	ZINC000155336796	535108749	/nfs/dbraw/zinc/10/87/49/535108749.db2.gz	WODNJYYLICHEQK-DLBZAZTESA-N	2	1	356.511	-0.278	10	0		FBAEMP
O=C(COCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1	ZINC000171756879	243207774	/nfs/dbraw/zinc/20/77/74/243207774.db2.gz	KXPHOGXCJUSGLE-HZPDHXFCSA-N	2	1	350.463	-0.384	10	0		FBAEMP
O=C(COCC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1	ZINC000171756883	243207992	/nfs/dbraw/zinc/20/79/92/243207992.db2.gz	KXPHOGXCJUSGLE-IYBDPMFKSA-N	2	1	350.463	-0.384	10	0		FBAEMP
O=C(COCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1	ZINC000171756883	243207988	/nfs/dbraw/zinc/20/79/88/243207988.db2.gz	KXPHOGXCJUSGLE-IYBDPMFKSA-N	2	1	350.463	-0.384	10	0		FBAEMP
O=C(COCC(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000171756883	243207981	/nfs/dbraw/zinc/20/79/81/243207981.db2.gz	KXPHOGXCJUSGLE-IYBDPMFKSA-N	2	1	350.463	-0.384	10	0		FBAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCNS(=O)(=O)c2cnn(C)c2)CC1	ZINC000173682580	484254685	/nfs/dbraw/zinc/25/46/85/484254685.db2.gz	SEBZOJVRSYXUDB-AWEZNQCLSA-N	2	1	373.523	-0.277	10	0		FBAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCNS(=O)(=O)c2cnn(C)c2)CC1	ZINC000173682596	484256688	/nfs/dbraw/zinc/25/66/88/484256688.db2.gz	SEBZOJVRSYXUDB-CQSZACIVSA-N	2	1	373.523	-0.277	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)O1	ZINC000189493808	484366781	/nfs/dbraw/zinc/36/67/81/484366781.db2.gz	SPRVPHOWSZQVRH-SYMSYNOKSA-N	2	1	352.479	-0.045	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)O1	ZINC000189493808	484366774	/nfs/dbraw/zinc/36/67/74/484366774.db2.gz	SPRVPHOWSZQVRH-SYMSYNOKSA-N	2	1	352.479	-0.045	10	0		FBAEMP
C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)O1	ZINC000189493808	484366765	/nfs/dbraw/zinc/36/67/65/484366765.db2.gz	SPRVPHOWSZQVRH-SYMSYNOKSA-N	2	1	352.479	-0.045	10	0		FBAEMP
C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)C1CC[NH+](CC(N)=O)CC1	ZINC000223590175	483887859	/nfs/dbraw/zinc/88/78/59/483887859.db2.gz	VGTOAEPYGCSQOZ-CABCVRRESA-N	2	1	356.467	-0.964	10	0		FBAEMP
CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1	ZINC000245469711	243268679	/nfs/dbraw/zinc/26/86/79/243268679.db2.gz	VLTOYKAMIHONNJ-IAGOWNOFSA-N	2	1	354.495	-0.430	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1	ZINC000245469711	243268672	/nfs/dbraw/zinc/26/86/72/243268672.db2.gz	VLTOYKAMIHONNJ-IAGOWNOFSA-N	2	1	354.495	-0.430	10	0		FBAEMP
O=C(COCC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1	ZINC000246018817	243267279	/nfs/dbraw/zinc/26/72/79/243267279.db2.gz	KXPHOGXCJUSGLE-HOTGVXAUSA-N	2	1	350.463	-0.384	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)C1	ZINC000246739811	535111119	/nfs/dbraw/zinc/11/11/19/535111119.db2.gz	WODNJYYLICHEQK-IRXDYDNUSA-N	2	1	356.511	-0.278	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)C1	ZINC000246739823	535118646	/nfs/dbraw/zinc/11/86/46/535118646.db2.gz	WODNJYYLICHEQK-SJORKVTESA-N	2	1	356.511	-0.278	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000247771451	535117346	/nfs/dbraw/zinc/11/73/46/535117346.db2.gz	PGXAPHZZUOHDFX-FGTMMUONSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000247771451	535117337	/nfs/dbraw/zinc/11/73/37/535117337.db2.gz	PGXAPHZZUOHDFX-FGTMMUONSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000247771451	535117330	/nfs/dbraw/zinc/11/73/30/535117330.db2.gz	PGXAPHZZUOHDFX-FGTMMUONSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000247771454	535117269	/nfs/dbraw/zinc/11/72/69/535117269.db2.gz	PGXAPHZZUOHDFX-OKZBNKHCSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000247771454	535117266	/nfs/dbraw/zinc/11/72/66/535117266.db2.gz	PGXAPHZZUOHDFX-OKZBNKHCSA-N	2	1	370.538	-0.154	10	0		FBAEMP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000247771454	535117260	/nfs/dbraw/zinc/11/72/60/535117260.db2.gz	PGXAPHZZUOHDFX-OKZBNKHCSA-N	2	1	370.538	-0.154	10	0		FBAEMP
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cn2)CC1	ZINC000261772517	536404464	/nfs/dbraw/zinc/40/44/64/536404464.db2.gz	MLIOVAPNCXCMRS-KGLIPLIRSA-N	2	1	350.423	-0.898	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CCOCC3)CC2)C1	ZINC000261784845	535212072	/nfs/dbraw/zinc/21/20/72/535212072.db2.gz	HRDQYVUYRGSINW-INIZCTEOSA-N	2	1	354.495	-0.252	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CCOCC3)CC2)C1	ZINC000261784849	535221951	/nfs/dbraw/zinc/22/19/51/535221951.db2.gz	HRDQYVUYRGSINW-MRXNPFEDSA-N	2	1	354.495	-0.252	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)C1	ZINC000261807791	243285506	/nfs/dbraw/zinc/28/55/06/243285506.db2.gz	ONPFJVJXGOIACJ-MSOLQXFVSA-N	2	1	368.522	-0.006	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)C1	ZINC000261807792	243286109	/nfs/dbraw/zinc/28/61/09/243286109.db2.gz	ONPFJVJXGOIACJ-QZTJIDSGSA-N	2	1	368.522	-0.006	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)C1	ZINC000261807793	535211448	/nfs/dbraw/zinc/21/14/48/535211448.db2.gz	ONPFJVJXGOIACJ-ROUUACIJSA-N	2	1	368.522	-0.006	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)C1	ZINC000261807796	535211726	/nfs/dbraw/zinc/21/17/26/535211726.db2.gz	ONPFJVJXGOIACJ-ZWKOTPCHSA-N	2	1	368.522	-0.006	10	0		FBAEMP
[NH3+]C1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000261820048	243285609	/nfs/dbraw/zinc/28/56/09/243285609.db2.gz	KBWXKMWAIVVYGU-UHFFFAOYSA-N	2	1	360.458	-0.045	10	0		FBAEMP
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cn2)CC1	ZINC000261860491	536404692	/nfs/dbraw/zinc/40/46/92/536404692.db2.gz	SCVIWAJYFAZTNK-INIZCTEOSA-N	2	1	364.450	-0.651	10	0		FBAEMP
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)cn2)CC1	ZINC000261860494	536404774	/nfs/dbraw/zinc/40/47/74/536404774.db2.gz	SCVIWAJYFAZTNK-MRXNPFEDSA-N	2	1	364.450	-0.651	10	0		FBAEMP
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cn2)CC1	ZINC000261932260	536404705	/nfs/dbraw/zinc/40/47/05/536404705.db2.gz	LKDUERJEKWUQGC-HNNXBMFYSA-N	2	1	360.462	-0.015	10	0		FBAEMP
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cn2)CC1	ZINC000261932263	536404560	/nfs/dbraw/zinc/40/45/60/536404560.db2.gz	LKDUERJEKWUQGC-OAHLLOKOSA-N	2	1	360.462	-0.015	10	0		FBAEMP
O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1CCN1CCOCC1	ZINC000261962952	243292752	/nfs/dbraw/zinc/29/27/52/243292752.db2.gz	PTZYNXPYWWBGSZ-BSDSXHPESA-N	2	1	366.506	-0.334	10	0		FBAEMP
O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CN1CCN1CCOCC1	ZINC000261962954	243292460	/nfs/dbraw/zinc/29/24/60/243292460.db2.gz	PTZYNXPYWWBGSZ-FJIDUMEYSA-N	2	1	366.506	-0.334	10	0		FBAEMP
O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CN1CCN1CCOCC1	ZINC000261962956	243291660	/nfs/dbraw/zinc/29/16/60/243291660.db2.gz	PTZYNXPYWWBGSZ-MLHJIOFPSA-N	2	1	366.506	-0.334	10	0		FBAEMP
O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1CCN1CCOCC1	ZINC000261962959	243291567	/nfs/dbraw/zinc/29/15/67/243291567.db2.gz	PTZYNXPYWWBGSZ-WNRNVDISSA-N	2	1	366.506	-0.334	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1	ZINC000262101235	243296987	/nfs/dbraw/zinc/29/69/87/243296987.db2.gz	ZGIFWOAKVWGATJ-GJYPPUQNSA-N	3	1	365.522	-0.223	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1	ZINC000262101235	243296984	/nfs/dbraw/zinc/29/69/84/243296984.db2.gz	ZGIFWOAKVWGATJ-GJYPPUQNSA-N	3	1	365.522	-0.223	10	0		FBAEMP
C[NH+]1CCC[C@H]1CNC(=O)[C@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1	ZINC000262101235	243296978	/nfs/dbraw/zinc/29/69/78/243296978.db2.gz	ZGIFWOAKVWGATJ-GJYPPUQNSA-N	3	1	365.522	-0.223	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1	ZINC000262101244	536372449	/nfs/dbraw/zinc/37/24/49/536372449.db2.gz	ZGIFWOAKVWGATJ-JTDSTZFVSA-N	3	1	365.522	-0.223	10	0		FBAEMP
C[NH+]1CCC[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1	ZINC000262101244	536372447	/nfs/dbraw/zinc/37/24/47/536372447.db2.gz	ZGIFWOAKVWGATJ-JTDSTZFVSA-N	3	1	365.522	-0.223	10	0		FBAEMP
C[NH+]1CCC[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1	ZINC000262101244	536372446	/nfs/dbraw/zinc/37/24/46/536372446.db2.gz	ZGIFWOAKVWGATJ-JTDSTZFVSA-N	3	1	365.522	-0.223	10	0		FBAEMP
CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1	ZINC000262257228	243306238	/nfs/dbraw/zinc/30/62/38/243306238.db2.gz	LZCSTCTVMMCOGL-CVEARBPZSA-N	2	1	362.478	-0.654	10	0		FBAEMP
COC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000262402103	243316239	/nfs/dbraw/zinc/31/62/39/243316239.db2.gz	ZWJJFYZHBFHLHJ-INIZCTEOSA-N	2	1	364.446	-0.063	10	0		FBAEMP
COC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000262402105	536662898	/nfs/dbraw/zinc/66/28/98/536662898.db2.gz	ZWJJFYZHBFHLHJ-MRXNPFEDSA-N	2	1	364.446	-0.063	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)C1	ZINC000262461197	535222399	/nfs/dbraw/zinc/22/23/99/535222399.db2.gz	XDDUAAZVVBNQAI-DLBZAZTESA-N	2	1	354.495	-0.382	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)C1	ZINC000262461201	535221290	/nfs/dbraw/zinc/22/12/90/535221290.db2.gz	XDDUAAZVVBNQAI-IAGOWNOFSA-N	2	1	354.495	-0.382	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)C1	ZINC000262461205	535212152	/nfs/dbraw/zinc/21/21/52/535212152.db2.gz	XDDUAAZVVBNQAI-IRXDYDNUSA-N	2	1	354.495	-0.382	10	0		FBAEMP
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)C1	ZINC000262461209	535213160	/nfs/dbraw/zinc/21/31/60/535213160.db2.gz	XDDUAAZVVBNQAI-SJORKVTESA-N	2	1	354.495	-0.382	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)ncn3)C[C@H]21	ZINC000302265074	484517479	/nfs/dbraw/zinc/51/74/79/484517479.db2.gz	FMRRZYHGCXCDJX-FPCVCCKLSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)ncn3)C[C@H]21	ZINC000302265074	484517474	/nfs/dbraw/zinc/51/74/74/484517474.db2.gz	FMRRZYHGCXCDJX-FPCVCCKLSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)ncn3)C[C@H]21	ZINC000302265074	484517469	/nfs/dbraw/zinc/51/74/69/484517469.db2.gz	FMRRZYHGCXCDJX-FPCVCCKLSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)ncn3)C[C@@H]21	ZINC000302265075	484517064	/nfs/dbraw/zinc/51/70/64/484517064.db2.gz	FMRRZYHGCXCDJX-SYMSYNOKSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)ncn3)C[C@@H]21	ZINC000302265075	484517061	/nfs/dbraw/zinc/51/70/61/484517061.db2.gz	FMRRZYHGCXCDJX-SYMSYNOKSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)ncn3)C[C@H]21	ZINC000302265075	484517056	/nfs/dbraw/zinc/51/70/56/484517056.db2.gz	FMRRZYHGCXCDJX-SYMSYNOKSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)ncn3)C[C@@H]21	ZINC000302265076	484517281	/nfs/dbraw/zinc/51/72/81/484517281.db2.gz	FMRRZYHGCXCDJX-YHUYYLMFSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@H]2CN(c3cc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)ncn3)C[C@@H]21	ZINC000302265076	484517278	/nfs/dbraw/zinc/51/72/78/484517278.db2.gz	FMRRZYHGCXCDJX-YHUYYLMFSA-N	2	1	360.462	-0.485	10	0		FBAEMP
C[NH+]1CCO[C@@H]2CN(c3cc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)ncn3)C[C@@H]21	ZINC000302265076	484517275	/nfs/dbraw/zinc/51/72/75/484517275.db2.gz	FMRRZYHGCXCDJX-YHUYYLMFSA-N	2	1	360.462	-0.485	10	0		FBAEMP
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475394	245014431	/nfs/dbraw/zinc/01/44/31/245014431.db2.gz	AVDFOMKXKSLODI-DZGCQCFKSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475394	245014428	/nfs/dbraw/zinc/01/44/28/245014428.db2.gz	AVDFOMKXKSLODI-DZGCQCFKSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475396	245015713	/nfs/dbraw/zinc/01/57/13/245015713.db2.gz	AVDFOMKXKSLODI-HIFRSBDPSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475396	245015711	/nfs/dbraw/zinc/01/57/11/245015711.db2.gz	AVDFOMKXKSLODI-HIFRSBDPSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475397	245015324	/nfs/dbraw/zinc/01/53/24/245015324.db2.gz	AVDFOMKXKSLODI-UKRRQHHQSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	ZINC000333475397	245015318	/nfs/dbraw/zinc/01/53/18/245015318.db2.gz	AVDFOMKXKSLODI-UKRRQHHQSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@@H+]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[C@@H](C)C1	ZINC000333475398	245015519	/nfs/dbraw/zinc/01/55/19/245015519.db2.gz	AVDFOMKXKSLODI-ZFWWWQNUSA-N	2	1	373.523	-0.656	10	0		FBAEMP
CC(C)[N@H+]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[C@@H](C)C1	ZINC000333475398	245015514	/nfs/dbraw/zinc/01/55/14/245015514.db2.gz	AVDFOMKXKSLODI-ZFWWWQNUSA-N	2	1	373.523	-0.656	10	0		FBAEMP
Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1	ZINC000888077474	657561337	/nfs/dbraw/zinc/56/13/37/657561337.db2.gz	CUVIQMLORVTYDM-KRWDZBQOSA-N	2	1	350.467	-0.651	10	0		FBAEMP
Cn1cnnc1C[C@@]1(O)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1	ZINC000888077474	657561333	/nfs/dbraw/zinc/56/13/33/657561333.db2.gz	CUVIQMLORVTYDM-KRWDZBQOSA-N	2	1	350.467	-0.651	10	0		FBAEMP
Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1	ZINC000888077474	657561329	/nfs/dbraw/zinc/56/13/29/657561329.db2.gz	CUVIQMLORVTYDM-KRWDZBQOSA-N	2	1	350.467	-0.651	10	0		FBAEMP
Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1	ZINC000888077475	657561516	/nfs/dbraw/zinc/56/15/16/657561516.db2.gz	CUVIQMLORVTYDM-QGZVFWFLSA-N	2	1	350.467	-0.651	10	0		FBAEMP
Cn1cnnc1C[C@]1(O)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1	ZINC000888077475	657561507	/nfs/dbraw/zinc/56/15/07/657561507.db2.gz	CUVIQMLORVTYDM-QGZVFWFLSA-N	2	1	350.467	-0.651	10	0		FBAEMP
Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1	ZINC000888077475	657561504	/nfs/dbraw/zinc/56/15/04/657561504.db2.gz	CUVIQMLORVTYDM-QGZVFWFLSA-N	2	1	350.467	-0.651	10	0		FBAEMP