smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[N@H+](C)C1CCN(S(C)(=O)=O)CC1)Cc1ccc(F)cc1	ZINC000160172033	524824739	/nfs/dbraw/zinc/82/47/39/524824739.db2.gz	OVNRBGJNSVPAJS-UHFFFAOYSA-N	1	0	357.495	1.613	10	70		FDIERO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCCN1CCCCCC1=O	ZINC000161036400	525021479	/nfs/dbraw/zinc/02/14/79/525021479.db2.gz	OEUBGJQZWTZDQB-XLIONFOSSA-N	1	0	365.518	1.522	10	70		FDIERO
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1	ZINC000160740373	173720229	/nfs/dbraw/zinc/72/02/29/173720229.db2.gz	UKWBZNBCWWWFCX-KBPBESRZSA-N	1	0	353.260	1.662	10	70		FDIERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cnc4ccccn34)CC2)C1	ZINC000159957364	524775025	/nfs/dbraw/zinc/77/50/25/524775025.db2.gz	CESWDFXHPZKDOT-LJQANCHMSA-N	1	0	357.502	1.561	10	70		FDIERO
COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160447110	524892573	/nfs/dbraw/zinc/89/25/73/524892573.db2.gz	KLVLJKQVRJOKLW-HUUCEWRRSA-N	1	0	364.494	1.679	10	70		FDIERO
Cn1cc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)n1	ZINC000160873252	524987853	/nfs/dbraw/zinc/98/78/53/524987853.db2.gz	OFWJPXPSJXVDCY-GFCCVEGCSA-N	1	0	363.384	1.085	10	70		FDIERO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160876266	524988687	/nfs/dbraw/zinc/98/86/87/524988687.db2.gz	IPRSVSRHVODRPX-NQIIRXRSSA-N	1	0	373.497	1.518	10	70		FDIERO
CC[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000161080372	525028424	/nfs/dbraw/zinc/02/84/24/525028424.db2.gz	NODXACCJKLIHQE-RHSMWYFYSA-N	1	0	372.473	1.791	10	70		FDIERO
COCCC1(CNC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1	ZINC000161107778	525035337	/nfs/dbraw/zinc/03/53/37/525035337.db2.gz	AMEDLMDTBWBXFO-UHFFFAOYSA-N	1	0	363.506	1.806	10	70		FDIERO
C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1N1CCOCC1	ZINC000160078235	524804042	/nfs/dbraw/zinc/80/40/42/524804042.db2.gz	UIYUTZIBDWPQRS-AEFFLSMTSA-N	1	0	351.535	1.924	10	70		FDIERO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000160473191	524897723	/nfs/dbraw/zinc/89/77/23/524897723.db2.gz	ZPPLGTHINGHKAJ-HUUCEWRRSA-N	1	0	364.494	1.823	10	70		FDIERO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160967372	525006363	/nfs/dbraw/zinc/00/63/63/525006363.db2.gz	IKDLOECMDKUFOY-GOSISDBHSA-N	1	0	370.501	1.799	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)[C@@H](C)C1	ZINC000161125485	525038421	/nfs/dbraw/zinc/03/84/21/525038421.db2.gz	WBLZNABZGRHGIF-GUYCJALGSA-N	1	0	370.453	1.515	10	70		FDIERO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161337242	525083914	/nfs/dbraw/zinc/08/39/14/525083914.db2.gz	GSPBYDRWXKSNBK-XHDPSFHLSA-N	1	0	359.474	1.266	10	70		FDIERO
C[NH2+]C[C@H]1CCCN1C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2	ZINC000161384407	525097936	/nfs/dbraw/zinc/09/79/36/525097936.db2.gz	TVLHFVUYNNOXFW-OZAJXLCCSA-N	1	0	352.456	1.166	10	70		FDIERO
CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1	ZINC000160888108	173724350	/nfs/dbraw/zinc/72/43/50/173724350.db2.gz	WVJLHUZSEMQAOZ-STQMWFEESA-N	1	0	357.480	1.095	10	70		FDIERO
CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)o1	ZINC000160310470	524855878	/nfs/dbraw/zinc/85/58/78/524855878.db2.gz	RBKFMJBCMROOHW-CYBMUJFWSA-N	1	0	358.460	1.855	10	70		FDIERO
O=C1CNC(=O)N1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161117720	525037106	/nfs/dbraw/zinc/03/71/06/525037106.db2.gz	SBHNYKULSQDIDJ-KBPBESRZSA-N	1	0	371.359	1.755	10	70		FDIERO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161337350	525085310	/nfs/dbraw/zinc/08/53/10/525085310.db2.gz	GSPBYDRWXKSNBK-NHYWBVRUSA-N	1	0	359.474	1.266	10	70		FDIERO
CCC[C@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)[NH+](C)C	ZINC000161447162	525110740	/nfs/dbraw/zinc/11/07/40/525110740.db2.gz	YNUZNUAZGOIBSU-CQSZACIVSA-N	1	0	373.544	1.748	10	70		FDIERO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000160101550	524810423	/nfs/dbraw/zinc/81/04/23/524810423.db2.gz	OYHNHESQOJWHMV-UONOGXRCSA-N	1	0	350.467	1.433	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(F)c(F)c1	ZINC000160440247	524889832	/nfs/dbraw/zinc/88/98/32/524889832.db2.gz	IMYFERBIXZMYKS-CQSZACIVSA-N	1	0	353.413	1.931	10	70		FDIERO
Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c(C)c12	ZINC000161141751	525041455	/nfs/dbraw/zinc/04/14/55/525041455.db2.gz	YMMBGMTYFVPPHK-BLLLJJGKSA-N	1	0	373.501	1.656	10	70		FDIERO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161181634	525049204	/nfs/dbraw/zinc/04/92/04/525049204.db2.gz	JLIZMFWRVRLRHF-NHYWBVRUSA-N	1	0	359.478	1.101	10	70		FDIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000161265028	525069462	/nfs/dbraw/zinc/06/94/62/525069462.db2.gz	XMIOCMAJRXXHFI-QGZVFWFLSA-N	1	0	360.506	1.891	10	70		FDIERO
CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)n1	ZINC000161449880	525110672	/nfs/dbraw/zinc/11/06/72/525110672.db2.gz	RETZAFBTSUFAQG-HNNXBMFYSA-N	1	0	370.457	1.291	10	70		FDIERO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1	ZINC000159887708	524760438	/nfs/dbraw/zinc/76/04/38/524760438.db2.gz	QCDJRRKPCWJOMQ-BEFAXECRSA-N	1	0	359.470	1.731	10	70		FDIERO
O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC(c2cc[nH]n2)CC1	ZINC000160384156	524874390	/nfs/dbraw/zinc/87/43/90/524874390.db2.gz	HZSUKHJXANLKJA-HNNXBMFYSA-N	1	0	361.490	1.800	10	70		FDIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000161104638	525034856	/nfs/dbraw/zinc/03/48/56/525034856.db2.gz	YVBYLKDZVJHYOI-QGZVFWFLSA-N	1	0	354.458	1.510	10	70		FDIERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1	ZINC000160311706	524857100	/nfs/dbraw/zinc/85/71/00/524857100.db2.gz	CLYOATCBVGDSOX-WBAXXEDZSA-N	1	0	353.507	1.678	10	70		FDIERO
Cc1cc(NC(=O)CSCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)no1	ZINC000160472146	524897179	/nfs/dbraw/zinc/89/71/79/524897179.db2.gz	ODPACWFBLAEERD-CQSZACIVSA-N	1	0	368.503	1.891	10	70		FDIERO
NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160876123	524988342	/nfs/dbraw/zinc/98/83/42/524988342.db2.gz	IPRSVSRHVODRPX-WIYYLYMNSA-N	1	0	373.497	1.518	10	70		FDIERO
C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160967473	525007067	/nfs/dbraw/zinc/00/70/67/525007067.db2.gz	IKDLOECMDKUFOY-SFHVURJKSA-N	1	0	370.501	1.799	10	70		FDIERO
O=C1CNC(=O)N1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161118080	525037484	/nfs/dbraw/zinc/03/74/84/525037484.db2.gz	SBHNYKULSQDIDJ-ZIAGYGMSSA-N	1	0	371.359	1.755	10	70		FDIERO
CC1(C)CN(C(=O)N[C@@H]2CCc3ncnn3C2)CC[N@@H+]1Cc1ccccc1	ZINC000161197988	525052036	/nfs/dbraw/zinc/05/20/36/525052036.db2.gz	UCYPGVNLIJQIGL-QGZVFWFLSA-N	1	0	368.485	1.899	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)[C@@H](C)C1	ZINC000161232526	525059816	/nfs/dbraw/zinc/05/98/16/525059816.db2.gz	RVWFHUCHMPMNQD-BBRMVZONSA-N	1	0	358.442	1.303	10	70		FDIERO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1=O	ZINC000159818043	524744580	/nfs/dbraw/zinc/74/45/80/524744580.db2.gz	YIMAFMJRTFWOGT-HOCLYGCPSA-N	1	0	359.470	1.815	10	70		FDIERO
CCc1ccccc1N1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O	ZINC000160056083	524798498	/nfs/dbraw/zinc/79/84/98/524798498.db2.gz	ZJXNMXJZRUVDKN-MSOLQXFVSA-N	1	0	373.497	1.565	10	70		FDIERO
COc1ccc(Br)c(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1	ZINC000160472771	524898843	/nfs/dbraw/zinc/89/88/43/524898843.db2.gz	LDXNCWZAICBFIV-CQSZACIVSA-N	1	0	371.275	1.789	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1	ZINC000160745679	524961553	/nfs/dbraw/zinc/96/15/53/524961553.db2.gz	GIYGTSSYHIQLKE-MCIONIFRSA-N	1	0	369.491	1.093	10	70		FDIERO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1	ZINC000160743342	524962656	/nfs/dbraw/zinc/96/26/56/524962656.db2.gz	QWNWQONVVPHGPX-ZIAGYGMSSA-N	1	0	369.491	1.191	10	70		FDIERO
Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1	ZINC000161014596	525016557	/nfs/dbraw/zinc/01/65/57/525016557.db2.gz	QPMPFCWAFLVSEY-OAHLLOKOSA-N	1	0	355.442	1.590	10	70		FDIERO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161327458	525083133	/nfs/dbraw/zinc/08/31/33/525083133.db2.gz	YYLFDIKAWVZVAT-OAHLLOKOSA-N	1	0	360.437	1.505	10	70		FDIERO
CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O	ZINC000160056355	524799513	/nfs/dbraw/zinc/79/95/13/524799513.db2.gz	ZJXNMXJZRUVDKN-QZTJIDSGSA-N	1	0	373.497	1.565	10	70		FDIERO
Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1F	ZINC000161014154	525017535	/nfs/dbraw/zinc/01/75/35/525017535.db2.gz	WKHUFRRZBVZUBR-CYBMUJFWSA-N	1	0	359.405	1.421	10	70		FDIERO
O[C@H](COc1ccccc1)CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161349782	525086845	/nfs/dbraw/zinc/08/68/45/525086845.db2.gz	WOXALCGTSKTBLS-FQEVSTJZSA-N	1	0	361.530	1.920	10	70		FDIERO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC000161378846	525096019	/nfs/dbraw/zinc/09/60/19/525096019.db2.gz	NIJGIEHGIKVQOK-LRDDRELGSA-N	1	0	371.478	1.582	10	70		FDIERO
CCC[C@@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C	ZINC000161381823	525098039	/nfs/dbraw/zinc/09/80/39/525098039.db2.gz	NKZKMPVARJWGCO-SFHVURJKSA-N	1	0	360.502	1.936	10	70		FDIERO
CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ncn1	ZINC000159771433	524735469	/nfs/dbraw/zinc/73/54/69/524735469.db2.gz	WPQKOSIWTGKIIM-OAGGEKHMSA-N	1	0	374.489	1.744	10	70		FDIERO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1	ZINC000159887961	524760522	/nfs/dbraw/zinc/76/05/22/524760522.db2.gz	QCDJRRKPCWJOMQ-DNVCBOLYSA-N	1	0	359.470	1.731	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000160302856	524854230	/nfs/dbraw/zinc/85/42/30/524854230.db2.gz	QFWKKXAMTFNJJI-GFCCVEGCSA-N	1	0	352.460	1.255	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccs1	ZINC000160476098	524897007	/nfs/dbraw/zinc/89/70/07/524897007.db2.gz	WSWWGUOXGAISRS-CQSZACIVSA-N	1	0	373.544	1.653	10	70		FDIERO
CCc1ccccc1N1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O	ZINC000160056212	524799245	/nfs/dbraw/zinc/79/92/45/524799245.db2.gz	ZJXNMXJZRUVDKN-ROUUACIJSA-N	1	0	373.497	1.565	10	70		FDIERO
CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1	ZINC000160575753	524919783	/nfs/dbraw/zinc/91/97/83/524919783.db2.gz	LCFRNWFVAZQGCX-VQIMIIECSA-N	1	0	352.475	1.415	10	70		FDIERO
C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161041381	525021982	/nfs/dbraw/zinc/02/19/82/525021982.db2.gz	RELMZOJCPGVNGJ-AWEZNQCLSA-N	1	0	358.446	1.492	10	70		FDIERO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161200817	525054184	/nfs/dbraw/zinc/05/41/84/525054184.db2.gz	UWJBHWNQCGDIOJ-QGZVFWFLSA-N	1	0	356.474	1.886	10	70		FDIERO
CC1CCC(N2C[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)CC1	ZINC000160214538	524833487	/nfs/dbraw/zinc/83/34/87/524833487.db2.gz	FKTJHCODPCDEQS-FPQWYMTMSA-N	1	0	365.518	1.377	10	70		FDIERO
CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)C1	ZINC000160683362	524947843	/nfs/dbraw/zinc/94/78/43/524947843.db2.gz	ABZDFGYZKTYHOS-CQSZACIVSA-N	1	0	373.432	1.859	10	70		FDIERO
Cc1noc([C@@H]2COCCN2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1	ZINC000161078637	525028913	/nfs/dbraw/zinc/02/89/13/525028913.db2.gz	ISTQUJDVFDJIAG-IRXDYDNUSA-N	1	0	373.457	1.170	10	70		FDIERO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161159968	525044875	/nfs/dbraw/zinc/04/48/75/525044875.db2.gz	NJGHRIVERPRHCU-INIZCTEOSA-N	1	0	360.437	1.505	10	70		FDIERO
CCC(CC)(C[NH3+])C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000161294398	525074031	/nfs/dbraw/zinc/07/40/31/525074031.db2.gz	KJTFDRXJLMDEKZ-UHFFFAOYSA-N	1	0	359.478	1.085	10	70		FDIERO
Cn1cnc(-c2ccc(NC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)n1	ZINC000161325340	525082691	/nfs/dbraw/zinc/08/26/91/525082691.db2.gz	FUGYOSUBROHFDJ-MRXNPFEDSA-N	1	0	358.446	1.450	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000160418091	524882649	/nfs/dbraw/zinc/88/26/49/524882649.db2.gz	ZVHAKPQJEJOSRA-MRXNPFEDSA-N	1	0	367.515	1.544	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1	ZINC000161352425	525087652	/nfs/dbraw/zinc/08/76/52/525087652.db2.gz	MCGJMOJLMYUXLS-CJNGLKHVSA-N	1	0	355.442	1.430	10	70		FDIERO
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1	ZINC000160338702	524860773	/nfs/dbraw/zinc/86/07/73/524860773.db2.gz	YDDONNCYPZDRJM-GDBMZVCRSA-N	1	0	365.499	1.813	10	70		FDIERO
COCCCN(CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000160534695	524910713	/nfs/dbraw/zinc/91/07/13/524910713.db2.gz	SQTYYWPDBLNOIH-GOSISDBHSA-N	1	0	372.506	1.783	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C	ZINC000161263484	525069334	/nfs/dbraw/zinc/06/93/34/525069334.db2.gz	LXANBAMOWJQJFC-QGZVFWFLSA-N	1	0	364.465	1.639	10	70		FDIERO
C[NH+](C)C[C@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1	ZINC000159983573	524783484	/nfs/dbraw/zinc/78/34/84/524783484.db2.gz	RWYSFVDQBMMPDW-HNNXBMFYSA-N	1	0	359.430	1.251	10	70		FDIERO
CC1CCC(N2C[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)CC1	ZINC000160214656	524833944	/nfs/dbraw/zinc/83/39/44/524833944.db2.gz	FKTJHCODPCDEQS-IKJBURDNSA-N	1	0	365.518	1.377	10	70		FDIERO
CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1	ZINC000160417652	524882970	/nfs/dbraw/zinc/88/29/70/524882970.db2.gz	SBEDWLBPZGVZQW-OAHLLOKOSA-N	1	0	353.488	1.445	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1c2ccccc2n(C)c1=O	ZINC000160513311	524905489	/nfs/dbraw/zinc/90/54/89/524905489.db2.gz	GQVROWDBBIYNSB-MRXNPFEDSA-N	1	0	358.486	1.967	10	70		FDIERO
CC1CCC(N2C[C@@H](C(=O)NCC3CC[NH+](CCO)CC3)CC2=O)CC1	ZINC000160640084	524936499	/nfs/dbraw/zinc/93/64/99/524936499.db2.gz	VRILBBVLOAQDPC-NXYGQSRBSA-N	1	0	365.518	1.234	10	70		FDIERO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCN1CCc2ccccc21	ZINC000160643030	524938398	/nfs/dbraw/zinc/93/83/98/524938398.db2.gz	LFQJKPAQQSQYHG-WIYYLYMNSA-N	1	0	357.498	1.792	10	70		FDIERO
O=C1CNC(=O)N1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161117845	525038194	/nfs/dbraw/zinc/03/81/94/525038194.db2.gz	SBHNYKULSQDIDJ-UONOGXRCSA-N	1	0	371.359	1.755	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)[C@@H](C)C1	ZINC000161352543	525086041	/nfs/dbraw/zinc/08/60/41/525086041.db2.gz	MCGJMOJLMYUXLS-BBRMVZONSA-N	1	0	355.442	1.430	10	70		FDIERO
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O	ZINC000159817935	524745019	/nfs/dbraw/zinc/74/50/19/524745019.db2.gz	YIMAFMJRTFWOGT-GDBMZVCRSA-N	1	0	359.470	1.815	10	70		FDIERO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000159889830	524760796	/nfs/dbraw/zinc/76/07/96/524760796.db2.gz	KXQSWAQIMMBVTP-HOJAQTOUSA-N	1	0	372.513	1.766	10	70		FDIERO
C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161041302	525022995	/nfs/dbraw/zinc/02/29/95/525022995.db2.gz	RELMZOJCPGVNGJ-CQSZACIVSA-N	1	0	358.446	1.492	10	70		FDIERO
COc1cccc(-c2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH]n2)c1	ZINC000159982898	524780557	/nfs/dbraw/zinc/78/05/57/524780557.db2.gz	POULTTQVKXQWQZ-HNNXBMFYSA-N	1	0	358.442	1.662	10	70		FDIERO
C[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1N1CCOCC1	ZINC000160078386	524803460	/nfs/dbraw/zinc/80/34/60/524803460.db2.gz	UIYUTZIBDWPQRS-WMZOPIPTSA-N	1	0	351.535	1.924	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000160299426	524853547	/nfs/dbraw/zinc/85/35/47/524853547.db2.gz	WZEHVAJPSAGGLM-OAHLLOKOSA-N	1	0	365.499	1.371	10	70		FDIERO
COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000160900405	524992615	/nfs/dbraw/zinc/99/26/15/524992615.db2.gz	WFCUSXRHZWILPH-KGLIPLIRSA-N	1	0	366.510	1.925	10	70		FDIERO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1	ZINC000160967662	525006901	/nfs/dbraw/zinc/00/69/01/525006901.db2.gz	OUUVMHFHTOOONY-GPMSIDNRSA-N	1	0	352.475	1.415	10	70		FDIERO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C	ZINC000161143279	525042262	/nfs/dbraw/zinc/04/22/62/525042262.db2.gz	DYXGIYQXRNOOSB-WFASDCNBSA-N	1	0	365.474	1.893	10	70		FDIERO
CSc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(=O)[nH]1	ZINC000160381194	524874293	/nfs/dbraw/zinc/87/42/93/524874293.db2.gz	DVIFVKWPAGDHJP-CQSZACIVSA-N	1	0	366.531	1.969	10	70		FDIERO
O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCCN1C(=O)c1cccs1	ZINC000160632058	524933734	/nfs/dbraw/zinc/93/37/34/524933734.db2.gz	AIIKMLMIHNPDJJ-HNNXBMFYSA-N	1	0	365.499	1.173	10	70		FDIERO
CC[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000161080497	525029746	/nfs/dbraw/zinc/02/97/46/525029746.db2.gz	NODXACCJKLIHQE-PBHICJAKSA-N	1	0	372.473	1.791	10	70		FDIERO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161091676	525031428	/nfs/dbraw/zinc/03/14/28/525031428.db2.gz	FDYMSJDWZMLZAY-MRXNPFEDSA-N	1	0	360.437	1.505	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)[C@@H](C)C1	ZINC000161124963	525040210	/nfs/dbraw/zinc/04/02/10/525040210.db2.gz	UBMRPVZLMUNFRA-HOCLYGCPSA-N	1	0	371.489	1.186	10	70		FDIERO
COC(=O)CNC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161172392	525047903	/nfs/dbraw/zinc/04/79/03/525047903.db2.gz	WHLMHBANVGZYOQ-ZIAGYGMSSA-N	1	0	374.359	1.492	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)[C@@H](C)C1	ZINC000161301988	525075809	/nfs/dbraw/zinc/07/58/09/525075809.db2.gz	PRORJPDZIDRIBE-ICSRJNTNSA-N	1	0	358.530	1.649	10	70		FDIERO
COC(=O)[C@@H](c1cccnc1)N(C)C1CC[NH+](CCn2cccn2)CC1	ZINC000159939575	524773644	/nfs/dbraw/zinc/77/36/44/524773644.db2.gz	CWRKDBHWTFVCPG-GOSISDBHSA-N	1	0	357.458	1.589	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2ncccn2)no1	ZINC000160474500	524898291	/nfs/dbraw/zinc/89/82/91/524898291.db2.gz	XUOIQHNCXQEXCZ-CQSZACIVSA-N	1	0	358.446	1.696	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)[NH+](C)C	ZINC000160935208	524999417	/nfs/dbraw/zinc/99/94/17/524999417.db2.gz	HWLWZXBPEGUWJT-MJGOQNOKSA-N	1	0	363.502	1.301	10	70		FDIERO
CCOc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1	ZINC000161423652	525104655	/nfs/dbraw/zinc/10/46/55/525104655.db2.gz	AEUBNDMZIIXKAP-OAHLLOKOSA-N	1	0	370.515	1.799	10	70		FDIERO
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)oc1C	ZINC000160262299	524843201	/nfs/dbraw/zinc/84/32/01/524843201.db2.gz	DUOUYOSXXSQCJD-CYBMUJFWSA-N	1	0	358.460	1.773	10	70		FDIERO
CCC(CC)CNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000160594889	524926032	/nfs/dbraw/zinc/92/60/32/524926032.db2.gz	ZVDILSYETNLCTC-GOSISDBHSA-N	1	0	354.539	1.859	10	70		FDIERO
Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1	ZINC000161014489	525017756	/nfs/dbraw/zinc/01/77/56/525017756.db2.gz	QPMPFCWAFLVSEY-HNNXBMFYSA-N	1	0	355.442	1.590	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCNC(=O)N2CCc3ccccc3C2)C1	ZINC000161399161	525101922	/nfs/dbraw/zinc/10/19/22/525101922.db2.gz	MGFUUYXENXYEKA-APWZRJJASA-N	1	0	372.513	1.989	10	70		FDIERO
CC(C)Cn1cnc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000161435363	525108564	/nfs/dbraw/zinc/10/85/64/525108564.db2.gz	JEGBVWCSEWDKBC-OAHLLOKOSA-N	1	0	372.535	1.252	10	70		FDIERO
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161091789	525031338	/nfs/dbraw/zinc/03/13/38/525031338.db2.gz	FDYMSJDWZMLZAY-INIZCTEOSA-N	1	0	360.437	1.505	10	70		FDIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159555489	524695045	/nfs/dbraw/zinc/69/50/45/524695045.db2.gz	GWDYVOZMMSHSRO-GJZGRUSLSA-N	1	0	364.494	1.126	10	70		FDIERO
O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCN(c2ccccn2)CC1	ZINC000160620537	524931923	/nfs/dbraw/zinc/93/19/23/524931923.db2.gz	HKMPMWGYKIDACI-WIYYLYMNSA-N	1	0	372.513	1.747	10	70		FDIERO
COCCC(=O)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000160746171	524962496	/nfs/dbraw/zinc/96/24/96/524962496.db2.gz	WSMQELVCWZATFT-QGZVFWFLSA-N	1	0	368.522	1.434	10	70		FDIERO
CCOCC[N@@H+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)C[C@@H]1CC	ZINC000159407890	524662387	/nfs/dbraw/zinc/66/23/87/524662387.db2.gz	UDKIHWPYHQINET-HNNXBMFYSA-N	1	0	350.511	1.998	10	70		FDIERO
CC[C@H](O)CN1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000159967158	524777627	/nfs/dbraw/zinc/77/76/27/524777627.db2.gz	ZFSYFKMVDIHDLF-IHPCNDPISA-N	1	0	374.529	1.605	10	70		FDIERO
CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000160073130	524802420	/nfs/dbraw/zinc/80/24/20/524802420.db2.gz	NOLFWAPMYSDSFP-RBUKOAKNSA-N	1	0	360.502	1.623	10	70		FDIERO
CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCC[C@H]2C[NH3+])cc1	ZINC000160208152	524830194	/nfs/dbraw/zinc/83/01/94/524830194.db2.gz	NEOFGJDQGNROMG-AWEZNQCLSA-N	1	0	354.472	1.589	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccccc1F	ZINC000160788146	524971437	/nfs/dbraw/zinc/97/14/37/524971437.db2.gz	SXRRYBZXCUPRPK-OAHLLOKOSA-N	1	0	364.465	1.975	10	70		FDIERO
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C2=O	ZINC000161123764	525040101	/nfs/dbraw/zinc/04/01/01/525040101.db2.gz	QQFPKERRDVVKSW-JJRVBVJISA-N	1	0	357.454	1.824	10	70		FDIERO
CCC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)[NH+](C)C	ZINC000161447056	525109971	/nfs/dbraw/zinc/10/99/71/525109971.db2.gz	YNUZNUAZGOIBSU-AWEZNQCLSA-N	1	0	373.544	1.748	10	70		FDIERO
CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1	ZINC000159817472	173689503	/nfs/dbraw/zinc/68/95/03/173689503.db2.gz	UHBWLJMJSAQMOE-NJAFHUGGSA-N	1	0	373.497	1.815	10	70		FDIERO
CC(C)[C@H](O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000159451262	524671831	/nfs/dbraw/zinc/67/18/31/524671831.db2.gz	LEYFBSOPBMOSGU-ZWKOTPCHSA-N	1	0	361.486	1.407	10	70		FDIERO
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)CC2	ZINC000159958341	524774540	/nfs/dbraw/zinc/77/45/40/524774540.db2.gz	UIKAQVCOLHJJRW-CQSZACIVSA-N	1	0	364.494	1.126	10	70		FDIERO
CCC(CC)CNC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000160594964	524924180	/nfs/dbraw/zinc/92/41/80/524924180.db2.gz	ZVDILSYETNLCTC-SFHVURJKSA-N	1	0	354.539	1.859	10	70		FDIERO
Cc1nc(COc2ccccc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)no1	ZINC000160646048	524938920	/nfs/dbraw/zinc/93/89/20/524938920.db2.gz	SZZPZKQZNNOHMD-HNNXBMFYSA-N	1	0	374.441	1.534	10	70		FDIERO
CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1	ZINC000161231866	525059890	/nfs/dbraw/zinc/05/98/90/525059890.db2.gz	AEOIBWUKXDZZIP-MRXNPFEDSA-N	1	0	373.505	1.433	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1	ZINC000161301890	525077230	/nfs/dbraw/zinc/07/72/30/525077230.db2.gz	PRORJPDZIDRIBE-QUCCMNQESA-N	1	0	358.530	1.649	10	70		FDIERO
CC(C)[C@@H](O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000159451396	524671629	/nfs/dbraw/zinc/67/16/29/524671629.db2.gz	LEYFBSOPBMOSGU-ROUUACIJSA-N	1	0	361.486	1.407	10	70		FDIERO
CNC(=O)COc1cccc(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1	ZINC000160256573	524844074	/nfs/dbraw/zinc/84/40/74/524844074.db2.gz	AEVPHAIYEAVVLS-LJQANCHMSA-N	1	0	369.465	1.773	10	70		FDIERO
COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160295720	524851877	/nfs/dbraw/zinc/85/18/77/524851877.db2.gz	DEXAUUONNRVOHI-CQSZACIVSA-N	1	0	354.472	1.872	10	70		FDIERO
Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160482429	524901148	/nfs/dbraw/zinc/90/11/48/524901148.db2.gz	GPUNYNQZXHYREK-MRXNPFEDSA-N	1	0	358.490	1.910	10	70		FDIERO
CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1=O	ZINC000160513806	524905591	/nfs/dbraw/zinc/90/55/91/524905591.db2.gz	LIGYDFXNCSEZKZ-CQSZACIVSA-N	1	0	352.479	1.334	10	70		FDIERO
CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1	ZINC000160887840	524989447	/nfs/dbraw/zinc/98/94/47/524989447.db2.gz	WVJLHUZSEMQAOZ-QWHCGFSZSA-N	1	0	357.480	1.095	10	70		FDIERO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000160900505	524992146	/nfs/dbraw/zinc/99/21/46/524992146.db2.gz	WFCUSXRHZWILPH-UONOGXRCSA-N	1	0	366.510	1.925	10	70		FDIERO
COCCC1(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1	ZINC000161005011	525014505	/nfs/dbraw/zinc/01/45/05/525014505.db2.gz	JBDUDLFQMMNWOH-SFHVURJKSA-N	1	0	361.486	1.522	10	70		FDIERO
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161274369	525071192	/nfs/dbraw/zinc/07/11/92/525071192.db2.gz	CPEGZIDAZVRZEP-LRDDRELGSA-N	1	0	359.474	1.829	10	70		FDIERO
CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2OCCc3ccccc32)ncn1	ZINC000161340144	525085489	/nfs/dbraw/zinc/08/54/89/525085489.db2.gz	CDHNCFSHJPWDAM-KXBFYZLASA-N	1	0	367.453	1.917	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CCNC(=O)N2CCc3ccccc3C2)[C@@H](C)C1	ZINC000161399302	525100740	/nfs/dbraw/zinc/10/07/40/525100740.db2.gz	MGFUUYXENXYEKA-LPHOPBHVSA-N	1	0	372.513	1.989	10	70		FDIERO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC[C@H]2C[NH3+])CC1	ZINC000160392563	173709729	/nfs/dbraw/zinc/70/97/29/173709729.db2.gz	WXPQQSIPBOQIJY-SFHVURJKSA-N	1	0	358.486	1.900	10	70		FDIERO
Cc1ccccc1[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)NC(N)=O	ZINC000160274201	524848216	/nfs/dbraw/zinc/84/82/16/524848216.db2.gz	CKOPWDZOOBFORK-WBVHZDCISA-N	1	0	362.474	1.058	10	70		FDIERO
O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)N1CCN(c2ncccn2)CC1	ZINC000160552170	524915076	/nfs/dbraw/zinc/91/50/76/524915076.db2.gz	YAWUDVSXYCMIFA-UHFFFAOYSA-N	1	0	369.473	1.118	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCN1C(=O)NC(C)(C)C1=O	ZINC000160591693	524922787	/nfs/dbraw/zinc/92/27/87/524922787.db2.gz	YVICHTRGSDEEDD-CQSZACIVSA-N	1	0	352.479	1.334	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C1	ZINC000161080312	525028976	/nfs/dbraw/zinc/02/89/76/525028976.db2.gz	ONPXJLOFTKWHLJ-DOMZBBRYSA-N	1	0	362.865	1.838	10	70		FDIERO
CCC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[NH+](C)C	ZINC000161227916	525059865	/nfs/dbraw/zinc/05/98/65/525059865.db2.gz	BECHBNAZMZWHRR-OALUTQOASA-N	1	0	363.502	1.915	10	70		FDIERO
Cc1cccc(NC[C@@H]2CC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)n1	ZINC000160090212	524805106	/nfs/dbraw/zinc/80/51/06/524805106.db2.gz	GGEXUYADCRMOHH-INIZCTEOSA-N	1	0	371.485	1.988	10	70		FDIERO
CNC(=O)[C@H]1CCCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000160252886	524840105	/nfs/dbraw/zinc/84/01/05/524840105.db2.gz	PMCQVRBRHFWXOP-OFLPRAFFSA-N	1	0	350.507	1.950	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cc(F)cc(F)c1	ZINC000160409589	524880425	/nfs/dbraw/zinc/88/04/25/524880425.db2.gz	DSWRVZIXBDXYEG-MRXNPFEDSA-N	1	0	353.413	1.931	10	70		FDIERO
CCOCC[N@@H+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)C[C@H]1CC	ZINC000159407733	524662578	/nfs/dbraw/zinc/66/25/78/524662578.db2.gz	UDKIHWPYHQINET-OAHLLOKOSA-N	1	0	350.511	1.998	10	70		FDIERO
CNC(=O)COc1cccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1	ZINC000160256461	524842607	/nfs/dbraw/zinc/84/26/07/524842607.db2.gz	AEVPHAIYEAVVLS-IBGZPJMESA-N	1	0	369.465	1.773	10	70		FDIERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	ZINC000160311455	524856061	/nfs/dbraw/zinc/85/60/61/524856061.db2.gz	CLYOATCBVGDSOX-QGTPRVQTSA-N	1	0	353.507	1.678	10	70		FDIERO
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1	ZINC000161253758	525066486	/nfs/dbraw/zinc/06/64/86/525066486.db2.gz	HMWCRELVWYFNCP-SJORKVTESA-N	1	0	359.470	1.433	10	70		FDIERO
CC[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000159717686	524724704	/nfs/dbraw/zinc/72/47/04/524724704.db2.gz	ZMOYZWQACVBFOF-PBHICJAKSA-N	1	0	369.868	1.973	10	70		FDIERO
CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000161256580	525066949	/nfs/dbraw/zinc/06/69/49/525066949.db2.gz	IFLPPFKSDNOERB-WMZOPIPTSA-N	1	0	373.497	1.687	10	70		FDIERO
C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1=O	ZINC000159817804	524744870	/nfs/dbraw/zinc/74/48/70/524744870.db2.gz	YIMAFMJRTFWOGT-ZBFHGGJFSA-N	1	0	359.470	1.815	10	70		FDIERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cnc4ccccn34)CC2)C1	ZINC000159957510	524775402	/nfs/dbraw/zinc/77/54/02/524775402.db2.gz	CESWDFXHPZKDOT-IBGZPJMESA-N	1	0	357.502	1.561	10	70		FDIERO
CCn1cc(C2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)cn1	ZINC000160057107	524799423	/nfs/dbraw/zinc/79/94/23/524799423.db2.gz	LVWKIVRHQZBVNC-UHFFFAOYSA-N	1	0	359.474	1.947	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1	ZINC000160378115	524871028	/nfs/dbraw/zinc/87/10/28/524871028.db2.gz	UTHCRMKWNLPBIM-CYBMUJFWSA-N	1	0	373.906	1.838	10	70		FDIERO
CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCC[C@@H]2C[NH3+])cc1	ZINC000160208005	524830530	/nfs/dbraw/zinc/83/05/30/524830530.db2.gz	NEOFGJDQGNROMG-CQSZACIVSA-N	1	0	354.472	1.589	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNS(C)(=O)=O)o1	ZINC000160521224	524908979	/nfs/dbraw/zinc/90/89/79/524908979.db2.gz	FWNHDGXAMWKSED-CYBMUJFWSA-N	1	0	357.476	1.179	10	70		FDIERO
Cn1cnc2cc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cnc21	ZINC000160882258	524988177	/nfs/dbraw/zinc/98/81/77/524988177.db2.gz	YGCQDANQMCOPFW-IRXDYDNUSA-N	1	0	357.458	1.466	10	70		FDIERO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC1CCC2(CC1)OCCO2	ZINC000161082603	525030838	/nfs/dbraw/zinc/03/08/38/525030838.db2.gz	RMJBETJEXCQMGX-MAUKXSAKSA-N	1	0	352.475	1.415	10	70		FDIERO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1	ZINC000161147878	525044240	/nfs/dbraw/zinc/04/42/40/525044240.db2.gz	CODLOVYRWSIHBC-TVKQPGBESA-N	1	0	366.502	1.804	10	70		FDIERO
CC(C)Cn1cnc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000161435499	525108179	/nfs/dbraw/zinc/10/81/79/525108179.db2.gz	JEGBVWCSEWDKBC-HNNXBMFYSA-N	1	0	372.535	1.252	10	70		FDIERO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161200922	525053279	/nfs/dbraw/zinc/05/32/79/525053279.db2.gz	UWJBHWNQCGDIOJ-KRWDZBQOSA-N	1	0	356.474	1.886	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)[NH+](C)C	ZINC000161336529	525084514	/nfs/dbraw/zinc/08/45/14/525084514.db2.gz	JHRJNUXMIYYLDY-KRWDZBQOSA-N	1	0	352.523	1.264	10	70		FDIERO
CNC(=O)[C@@H]1CCCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	ZINC000160253016	173703766	/nfs/dbraw/zinc/70/37/66/173703766.db2.gz	PMCQVRBRHFWXOP-JCYILVPMSA-N	1	0	350.507	1.950	10	70		FDIERO
CC(C)[C@H](O)CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000159653576	524715565	/nfs/dbraw/zinc/71/55/65/524715565.db2.gz	LNCZZWBNSMNELZ-GOSISDBHSA-N	1	0	361.486	1.535	10	70		FDIERO
CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C	ZINC000159677645	524719676	/nfs/dbraw/zinc/71/96/76/524719676.db2.gz	DKMANLZIPPYIRF-IBGZPJMESA-N	1	0	361.530	1.976	10	70		FDIERO
Cc1cccc(NC[C@H]2CC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)n1	ZINC000160090363	524804645	/nfs/dbraw/zinc/80/46/45/524804645.db2.gz	GGEXUYADCRMOHH-MRXNPFEDSA-N	1	0	371.485	1.988	10	70		FDIERO
CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160489316	524901377	/nfs/dbraw/zinc/90/13/77/524901377.db2.gz	LTKSRBSHJTUIHH-OAHLLOKOSA-N	1	0	353.488	1.445	10	70		FDIERO
CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1F	ZINC000160521665	524909188	/nfs/dbraw/zinc/90/91/88/524909188.db2.gz	RSIIPWGGJJIERW-CQSZACIVSA-N	1	0	371.478	1.584	10	70		FDIERO
CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000159369597	524654000	/nfs/dbraw/zinc/65/40/00/524654000.db2.gz	GNXKNFVXVYGIBJ-KRWDZBQOSA-N	1	0	361.486	1.074	10	70		FDIERO
CN(C(=O)NCCc1cscn1)C1CC[NH+](CCn2cccn2)CC1	ZINC000159440945	524669274	/nfs/dbraw/zinc/66/92/74/524669274.db2.gz	NRDIRUHKSJROAC-UHFFFAOYSA-N	1	0	362.503	1.688	10	70		FDIERO
CCn1cc(C2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)CC2)cn1	ZINC000159553886	524695205	/nfs/dbraw/zinc/69/52/05/524695205.db2.gz	CIZONTHLEUZCDF-SFHVURJKSA-N	1	0	363.506	1.903	10	70		FDIERO
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000160085280	524804528	/nfs/dbraw/zinc/80/45/28/524804528.db2.gz	PMNQMRXKGDFLCI-HNNXBMFYSA-N	1	0	357.458	1.680	10	70		FDIERO
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000160085430	524804740	/nfs/dbraw/zinc/80/47/40/524804740.db2.gz	PMNQMRXKGDFLCI-OAHLLOKOSA-N	1	0	357.458	1.680	10	70		FDIERO
O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCN(c2ncccn2)CC1	ZINC000160515896	524906909	/nfs/dbraw/zinc/90/69/09/524906909.db2.gz	TWOVNIWYBSHGHW-YLJYHZDGSA-N	1	0	373.501	1.142	10	70		FDIERO
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)C2=O	ZINC000161124014	525038868	/nfs/dbraw/zinc/03/88/68/525038868.db2.gz	QQFPKERRDVVKSW-VBQJREDUSA-N	1	0	357.454	1.824	10	70		FDIERO
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161159860	525045165	/nfs/dbraw/zinc/04/51/65/525045165.db2.gz	NJGHRIVERPRHCU-MRXNPFEDSA-N	1	0	360.437	1.505	10	70		FDIERO
CCOc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1	ZINC000161423781	525104309	/nfs/dbraw/zinc/10/43/09/525104309.db2.gz	AEUBNDMZIIXKAP-HNNXBMFYSA-N	1	0	370.515	1.799	10	70		FDIERO
CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C	ZINC000159677504	524720050	/nfs/dbraw/zinc/72/00/50/524720050.db2.gz	DKMANLZIPPYIRF-LJQANCHMSA-N	1	0	361.530	1.976	10	70		FDIERO
CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(=O)N1CCOCC1	ZINC000159967920	524777257	/nfs/dbraw/zinc/77/72/57/524777257.db2.gz	BLMZDAWHFFFNHI-HZPDHXFCSA-N	1	0	354.495	1.043	10	70		FDIERO
CNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)co1	ZINC000160546559	524913330	/nfs/dbraw/zinc/91/33/30/524913330.db2.gz	OJUVFEOGODVMFP-CQSZACIVSA-N	1	0	351.428	1.220	10	70		FDIERO
CC[C@H](O)CN1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000159966917	524778263	/nfs/dbraw/zinc/77/82/63/524778263.db2.gz	ZFSYFKMVDIHDLF-YSIASYRMSA-N	1	0	374.529	1.605	10	70		FDIERO
CCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O	ZINC000160056505	524799141	/nfs/dbraw/zinc/79/91/41/524799141.db2.gz	ZJXNMXJZRUVDKN-ZWKOTPCHSA-N	1	0	373.497	1.565	10	70		FDIERO
O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC(c2cc[nH]n2)CC1	ZINC000160384291	524874831	/nfs/dbraw/zinc/87/48/31/524874831.db2.gz	HZSUKHJXANLKJA-OAHLLOKOSA-N	1	0	361.490	1.800	10	70		FDIERO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCCN1CCCCCC1=O	ZINC000161036289	525020143	/nfs/dbraw/zinc/02/01/43/525020143.db2.gz	OEUBGJQZWTZDQB-YLJYHZDGSA-N	1	0	365.518	1.522	10	70		FDIERO
CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)n1	ZINC000161449774	525109703	/nfs/dbraw/zinc/10/97/03/525109703.db2.gz	RETZAFBTSUFAQG-OAHLLOKOSA-N	1	0	370.457	1.291	10	70		FDIERO
Cc1nc(COc2ccccc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)no1	ZINC000160646124	524937942	/nfs/dbraw/zinc/93/79/42/524937942.db2.gz	SZZPZKQZNNOHMD-OAHLLOKOSA-N	1	0	374.441	1.534	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)[NH+](C)C	ZINC000160935116	525000071	/nfs/dbraw/zinc/00/00/71/525000071.db2.gz	HWLWZXBPEGUWJT-PKOBYXMFSA-N	1	0	363.502	1.301	10	70		FDIERO
CN(C(=O)N[C@H]1CCc2ncnn2C1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000161142142	525041710	/nfs/dbraw/zinc/04/17/10/525041710.db2.gz	FNYGCBWWGWAGJO-KRWDZBQOSA-N	1	0	368.485	1.899	10	70		FDIERO
C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161327589	525082532	/nfs/dbraw/zinc/08/25/32/525082532.db2.gz	YYLFDIKAWVZVAT-HNNXBMFYSA-N	1	0	360.437	1.505	10	70		FDIERO
CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000161497969	525119279	/nfs/dbraw/zinc/11/92/79/525119279.db2.gz	PTHLJTNTMKONSQ-OAHLLOKOSA-N	1	0	350.511	1.946	10	70		FDIERO
CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1	ZINC000159817224	173689650	/nfs/dbraw/zinc/68/96/50/173689650.db2.gz	UHBWLJMJSAQMOE-NXHRZFHOSA-N	1	0	373.497	1.815	10	70		FDIERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1	ZINC000159887616	524759211	/nfs/dbraw/zinc/75/92/11/524759211.db2.gz	QCDJRRKPCWJOMQ-KXBFYZLASA-N	1	0	359.470	1.731	10	70		FDIERO
CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1	ZINC000160304402	524853685	/nfs/dbraw/zinc/85/36/85/524853685.db2.gz	POJLMWVDYMNGBM-OAHLLOKOSA-N	1	0	353.488	1.445	10	70		FDIERO
COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160303837	524854351	/nfs/dbraw/zinc/85/43/51/524854351.db2.gz	MTPGFKRSEXUACI-GFCCVEGCSA-N	1	0	360.501	1.933	10	70		FDIERO
CCc1cc(NC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)n(C)n1	ZINC000160420071	524884389	/nfs/dbraw/zinc/88/43/89/524884389.db2.gz	RYJPQYDRIFOQJL-UHFFFAOYSA-N	1	0	371.489	1.793	10	70		FDIERO
COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OCCO	ZINC000160447529	524891187	/nfs/dbraw/zinc/89/11/87/524891187.db2.gz	YFAIQFHZXQPNIF-MRXNPFEDSA-N	1	0	350.459	1.917	10	70		FDIERO
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)co1	ZINC000160546419	524912358	/nfs/dbraw/zinc/91/23/58/524912358.db2.gz	OJUVFEOGODVMFP-AWEZNQCLSA-N	1	0	351.428	1.220	10	70		FDIERO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(S(=O)(=O)CC)c1	ZINC000160703119	524951310	/nfs/dbraw/zinc/95/13/10/524951310.db2.gz	ZEPILIPRLAZUBL-INIZCTEOSA-N	1	0	352.500	1.965	10	70		FDIERO
[NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000160344280	173707674	/nfs/dbraw/zinc/70/76/74/173707674.db2.gz	PFPDVOHLQPBNBR-FZMZJTMJSA-N	1	0	366.259	1.752	10	70		FDIERO
C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C[N@@H+]1Cc1ccccc1	ZINC000159890002	524760475	/nfs/dbraw/zinc/76/04/75/524760475.db2.gz	KXQSWAQIMMBVTP-RLLQIKCJSA-N	1	0	372.513	1.766	10	70		FDIERO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCOc1cccc(F)c1	ZINC000160610684	524929675	/nfs/dbraw/zinc/92/96/75/524929675.db2.gz	WWWAAVSUMDMRAG-BEFAXECRSA-N	1	0	350.434	1.948	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)C1	ZINC000161232386	525061072	/nfs/dbraw/zinc/06/10/72/525061072.db2.gz	RVWFHUCHMPMNQD-CJNGLKHVSA-N	1	0	358.442	1.303	10	70		FDIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159555750	524695682	/nfs/dbraw/zinc/69/56/82/524695682.db2.gz	GWDYVOZMMSHSRO-LSDHHAIUSA-N	1	0	364.494	1.126	10	70		FDIERO
CC[C@H](O)C[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000159717564	524725921	/nfs/dbraw/zinc/72/59/21/524725921.db2.gz	ZMOYZWQACVBFOF-YOEHRIQHSA-N	1	0	369.868	1.973	10	70		FDIERO
Cn1cccc(NC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c1=O	ZINC000160756504	524964044	/nfs/dbraw/zinc/96/40/44/524964044.db2.gz	KKKTXTOLHYZJKC-UHFFFAOYSA-N	1	0	370.457	1.196	10	70		FDIERO
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC000161020803	525017688	/nfs/dbraw/zinc/01/76/88/525017688.db2.gz	KETYGNGKUGKILK-WMLDXEAASA-N	1	0	352.500	1.868	10	70		FDIERO
CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[NH+](C)C	ZINC000161228291	525060845	/nfs/dbraw/zinc/06/08/45/525060845.db2.gz	BECHBNAZMZWHRR-RTBURBONSA-N	1	0	363.502	1.915	10	70		FDIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159555362	524694991	/nfs/dbraw/zinc/69/49/91/524694991.db2.gz	GWDYVOZMMSHSRO-CABCVRRESA-N	1	0	364.494	1.126	10	70		FDIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159555626	524695013	/nfs/dbraw/zinc/69/50/13/524695013.db2.gz	GWDYVOZMMSHSRO-HUUCEWRRSA-N	1	0	364.494	1.126	10	70		FDIERO
COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1	ZINC000160278270	524848493	/nfs/dbraw/zinc/84/84/93/524848493.db2.gz	VVTLTCNSCPHEAQ-OAHLLOKOSA-N	1	0	354.472	1.872	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl	ZINC000160510831	524906382	/nfs/dbraw/zinc/90/63/82/524906382.db2.gz	FZYPJNNRPBLIRE-GFCCVEGCSA-N	1	0	373.906	1.838	10	70		FDIERO
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161212179	525055885	/nfs/dbraw/zinc/05/58/85/525055885.db2.gz	PQKIPVVKHZQIFR-XIRDDKMYSA-N	1	0	371.489	1.698	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C	ZINC000161263354	525067941	/nfs/dbraw/zinc/06/79/41/525067941.db2.gz	LXANBAMOWJQJFC-KRWDZBQOSA-N	1	0	364.465	1.639	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccccc1	ZINC000160507436	524904536	/nfs/dbraw/zinc/90/45/36/524904536.db2.gz	QEHXVOZMRUHMSP-MRXNPFEDSA-N	1	0	367.515	1.592	10	70		FDIERO
C[N@H+](CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Cc1ccc(F)cc1	ZINC000160970178	525006729	/nfs/dbraw/zinc/00/67/29/525006729.db2.gz	ZDFZDRBMBPBKGK-UHFFFAOYSA-N	1	0	372.444	1.404	10	70		FDIERO
CCN(C(=O)NCC(=O)NCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000161160386	525045922	/nfs/dbraw/zinc/04/59/22/525045922.db2.gz	YHLVLWFOTLXXMS-SFHVURJKSA-N	1	0	358.486	1.819	10	70		FDIERO
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161211946	525055831	/nfs/dbraw/zinc/05/58/31/525055831.db2.gz	PQKIPVVKHZQIFR-BHYGNILZSA-N	1	0	371.489	1.698	10	70		FDIERO
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC000161378708	525096666	/nfs/dbraw/zinc/09/66/66/525096666.db2.gz	NIJGIEHGIKVQOK-BLLLJJGKSA-N	1	0	371.478	1.582	10	70		FDIERO
C[NH2+]C[C@@H]1CCCN1C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2	ZINC000161384499	525097718	/nfs/dbraw/zinc/09/77/18/525097718.db2.gz	TVLHFVUYNNOXFW-RKNYENMMSA-N	1	0	352.456	1.166	10	70		FDIERO
O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160019774	524788507	/nfs/dbraw/zinc/78/85/07/524788507.db2.gz	SSTYJBZCBINOFU-MRXNPFEDSA-N	1	0	373.457	1.425	10	70		FDIERO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C	ZINC000160900622	524992447	/nfs/dbraw/zinc/99/24/47/524992447.db2.gz	WFCUSXRHZWILPH-KBPBESRZSA-N	1	0	366.510	1.925	10	70		FDIERO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC(=O)NCc1cccs1	ZINC000160979308	525008309	/nfs/dbraw/zinc/00/83/09/525008309.db2.gz	NGEYMJJZICEUSU-CXAGYDPISA-N	1	0	351.472	1.701	10	70		FDIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000161104736	525035723	/nfs/dbraw/zinc/03/57/23/525035723.db2.gz	YVBYLKDZVJHYOI-KRWDZBQOSA-N	1	0	354.458	1.510	10	70		FDIERO
O=C1CNC(=O)N1CCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161117971	525036635	/nfs/dbraw/zinc/03/66/35/525036635.db2.gz	SBHNYKULSQDIDJ-KGLIPLIRSA-N	1	0	371.359	1.755	10	70		FDIERO
Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c(C)c12	ZINC000161141890	525041925	/nfs/dbraw/zinc/04/19/25/525041925.db2.gz	YMMBGMTYFVPPHK-LRDDRELGSA-N	1	0	373.501	1.656	10	70		FDIERO
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)CC2	ZINC000159958459	524774646	/nfs/dbraw/zinc/77/46/46/524774646.db2.gz	UIKAQVCOLHJJRW-AWEZNQCLSA-N	1	0	364.494	1.126	10	70		FDIERO
Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C2=O	ZINC000160586602	524923095	/nfs/dbraw/zinc/92/30/95/524923095.db2.gz	PYAFQKBEKFMTHK-OAHLLOKOSA-N	1	0	357.454	1.828	10	70		FDIERO
CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)C1	ZINC000160682817	524946476	/nfs/dbraw/zinc/94/64/76/524946476.db2.gz	QABJHMWTQREGNV-OAHLLOKOSA-N	1	0	355.442	1.720	10	70		FDIERO
CN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000161142037	525041892	/nfs/dbraw/zinc/04/18/92/525041892.db2.gz	FNYGCBWWGWAGJO-QGZVFWFLSA-N	1	0	368.485	1.899	10	70		FDIERO
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161181504	525049736	/nfs/dbraw/zinc/04/97/36/525049736.db2.gz	JLIZMFWRVRLRHF-XHDPSFHLSA-N	1	0	359.478	1.101	10	70		FDIERO
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1	ZINC000161253634	525066850	/nfs/dbraw/zinc/06/68/50/525066850.db2.gz	HMWCRELVWYFNCP-IRXDYDNUSA-N	1	0	359.470	1.433	10	70		FDIERO
CCC[C@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C	ZINC000161381938	525098251	/nfs/dbraw/zinc/09/82/51/525098251.db2.gz	NKZKMPVARJWGCO-GOSISDBHSA-N	1	0	360.502	1.936	10	70		FDIERO
Cn1cnc2cc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cnc21	ZINC000160882403	173724184	/nfs/dbraw/zinc/72/41/84/173724184.db2.gz	YGCQDANQMCOPFW-IAGOWNOFSA-N	1	0	357.458	1.466	10	70		FDIERO
Cc1noc(C)c1CCC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000159365309	524654190	/nfs/dbraw/zinc/65/41/90/524654190.db2.gz	CIJMPNZDCUNINQ-SFHVURJKSA-N	1	0	357.454	1.759	10	70		FDIERO
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1CC	ZINC000160478400	524898316	/nfs/dbraw/zinc/89/83/16/524898316.db2.gz	NMEVXXIVNHMOLP-UONOGXRCSA-N	1	0	361.490	1.663	10	70		FDIERO
CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)C1	ZINC000160682718	524947662	/nfs/dbraw/zinc/94/76/62/524947662.db2.gz	QABJHMWTQREGNV-HNNXBMFYSA-N	1	0	355.442	1.720	10	70		FDIERO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1	ZINC000160743483	524962694	/nfs/dbraw/zinc/96/26/94/524962694.db2.gz	QWNWQONVVPHGPX-UONOGXRCSA-N	1	0	369.491	1.191	10	70		FDIERO
Cc1c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1F	ZINC000161014052	525016149	/nfs/dbraw/zinc/01/61/49/525016149.db2.gz	WKHUFRRZBVZUBR-ZDUSSCGKSA-N	1	0	359.405	1.421	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)[NH+](C)C	ZINC000161365118	525094393	/nfs/dbraw/zinc/09/43/93/525094393.db2.gz	RLRSTRBYAVAALN-SFHVURJKSA-N	1	0	360.502	1.177	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[NH+](C)C	ZINC000161427647	525106885	/nfs/dbraw/zinc/10/68/85/525106885.db2.gz	SLELNKGHKKVLCN-QGZVFWFLSA-N	1	0	370.501	1.587	10	70		FDIERO
Cn1cc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)n1	ZINC000160873146	173724138	/nfs/dbraw/zinc/72/41/38/173724138.db2.gz	OFWJPXPSJXVDCY-LBPRGKRZSA-N	1	0	363.384	1.085	10	70		FDIERO
CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(=O)N1CCOCC1	ZINC000159967778	524777505	/nfs/dbraw/zinc/77/75/05/524777505.db2.gz	BLMZDAWHFFFNHI-CVEARBPZSA-N	1	0	354.495	1.043	10	70		FDIERO
O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160019632	524788681	/nfs/dbraw/zinc/78/86/81/524788681.db2.gz	SSTYJBZCBINOFU-INIZCTEOSA-N	1	0	373.457	1.425	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)[NH+](C)C	ZINC000161336643	525085095	/nfs/dbraw/zinc/08/50/95/525085095.db2.gz	JHRJNUXMIYYLDY-QGZVFWFLSA-N	1	0	352.523	1.264	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)[NH+](C)C	ZINC000161365256	525093501	/nfs/dbraw/zinc/09/35/01/525093501.db2.gz	RLRSTRBYAVAALN-GOSISDBHSA-N	1	0	360.502	1.177	10	70		FDIERO
COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C	ZINC000160900263	173724583	/nfs/dbraw/zinc/72/45/83/173724583.db2.gz	WFCUSXRHZWILPH-ZIAGYGMSSA-N	1	0	366.510	1.925	10	70		FDIERO
CC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000159717426	524725481	/nfs/dbraw/zinc/72/54/81/524725481.db2.gz	ZMOYZWQACVBFOF-RHSMWYFYSA-N	1	0	369.868	1.973	10	70		FDIERO
CC[C@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000159717304	524726073	/nfs/dbraw/zinc/72/60/73/524726073.db2.gz	ZMOYZWQACVBFOF-WMLDXEAASA-N	1	0	369.868	1.973	10	70		FDIERO
COC(=O)[C@H](c1cccnc1)N(C)C1CC[NH+](CCn2cccn2)CC1	ZINC000159939437	524773658	/nfs/dbraw/zinc/77/36/58/524773658.db2.gz	CWRKDBHWTFVCPG-SFHVURJKSA-N	1	0	357.458	1.589	10	70		FDIERO
COc1cccc(-c2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)[nH]n2)c1	ZINC000159983029	524782824	/nfs/dbraw/zinc/78/28/24/524782824.db2.gz	POULTTQVKXQWQZ-OAHLLOKOSA-N	1	0	358.442	1.662	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1	ZINC000161080419	525029552	/nfs/dbraw/zinc/02/95/52/525029552.db2.gz	ONPXJLOFTKWHLJ-WFASDCNBSA-N	1	0	362.865	1.838	10	70		FDIERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1	ZINC000159887828	524760719	/nfs/dbraw/zinc/76/07/19/524760719.db2.gz	QCDJRRKPCWJOMQ-HNAYVOBHSA-N	1	0	359.470	1.731	10	70		FDIERO
COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160280406	524848283	/nfs/dbraw/zinc/84/82/83/524848283.db2.gz	ROGTXWZSCMSQDW-OAHLLOKOSA-N	1	0	354.472	1.872	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(F)cc1F	ZINC000160432549	524886868	/nfs/dbraw/zinc/88/68/68/524886868.db2.gz	CAEHTOIVBVICPM-CQSZACIVSA-N	1	0	353.413	1.931	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160450202	524892238	/nfs/dbraw/zinc/89/22/38/524892238.db2.gz	UJIWHJBSWCQJKR-OAHLLOKOSA-N	1	0	364.490	1.478	10	70		FDIERO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160447273	524892617	/nfs/dbraw/zinc/89/26/17/524892617.db2.gz	KLVLJKQVRJOKLW-CABCVRRESA-N	1	0	364.494	1.679	10	70		FDIERO
CC1(C)CN(C(=O)N[C@H]2CCc3ncnn3C2)CC[N@@H+]1Cc1ccccc1	ZINC000161198100	525051286	/nfs/dbraw/zinc/05/12/86/525051286.db2.gz	UCYPGVNLIJQIGL-KRWDZBQOSA-N	1	0	368.485	1.899	10	70		FDIERO
COc1cccc(CS(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000161452314	525112589	/nfs/dbraw/zinc/11/25/89/525112589.db2.gz	MYYIDNOMUFMCEL-OAHLLOKOSA-N	1	0	370.515	1.550	10	70		FDIERO
C[NH+](C)C[C@@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1	ZINC000159983456	524783510	/nfs/dbraw/zinc/78/35/10/524783510.db2.gz	RWYSFVDQBMMPDW-OAHLLOKOSA-N	1	0	359.430	1.251	10	70		FDIERO
CCOC(=O)c1c(C)oc2nc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)nc(N)c21	ZINC000161110759	525035917	/nfs/dbraw/zinc/03/59/17/525035917.db2.gz	BEBNGNKRSUJWPX-AAEUAGOBSA-N	1	0	373.457	1.959	10	70		FDIERO
CC(C)c1nc(N(C)C)nc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1	ZINC000159424565	524665672	/nfs/dbraw/zinc/66/56/72/524665672.db2.gz	XAGPJLIOKIDSQC-UHFFFAOYSA-N	1	0	372.521	1.858	10	70		FDIERO
COc1ccc(-c2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)[nH]n2)cc1	ZINC000160039304	524795564	/nfs/dbraw/zinc/79/55/64/524795564.db2.gz	YBGWTCWTXZACEW-OAHLLOKOSA-N	1	0	358.442	1.662	10	70		FDIERO
CCn1cnnc1[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000160107699	524810579	/nfs/dbraw/zinc/81/05/79/524810579.db2.gz	KRDNGHMNOQRJDF-AWEZNQCLSA-N	1	0	360.462	1.342	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1F	ZINC000160410989	524882501	/nfs/dbraw/zinc/88/25/01/524882501.db2.gz	RMQZCBFQCYUSNP-GFCCVEGCSA-N	1	0	357.451	1.323	10	70		FDIERO
O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCN(c2ccccn2)CC1	ZINC000160620686	524931004	/nfs/dbraw/zinc/93/10/04/524931004.db2.gz	HKMPMWGYKIDACI-NQIIRXRSSA-N	1	0	372.513	1.747	10	70		FDIERO
Cn1cnc2cc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cnc21	ZINC000160882514	524988752	/nfs/dbraw/zinc/98/87/52/524988752.db2.gz	YGCQDANQMCOPFW-DLBZAZTESA-N	1	0	357.458	1.466	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1	ZINC000161124820	525039524	/nfs/dbraw/zinc/03/95/24/525039524.db2.gz	UBMRPVZLMUNFRA-ZBFHGGJFSA-N	1	0	371.489	1.186	10	70		FDIERO
CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000161256705	525065974	/nfs/dbraw/zinc/06/59/74/525065974.db2.gz	IFLPPFKSDNOERB-AEFFLSMTSA-N	1	0	373.497	1.687	10	70		FDIERO
Cn1cnc(-c2ccc(NC(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)n1	ZINC000161325231	525082321	/nfs/dbraw/zinc/08/23/21/525082321.db2.gz	FUGYOSUBROHFDJ-INIZCTEOSA-N	1	0	358.446	1.450	10	70		FDIERO
CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2OCCc3ccccc32)ncn1	ZINC000161339996	525085340	/nfs/dbraw/zinc/08/53/40/525085340.db2.gz	CDHNCFSHJPWDAM-BEFAXECRSA-N	1	0	367.453	1.917	10	70		FDIERO
O[C@@H](COc1ccccc1)CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161349653	525086802	/nfs/dbraw/zinc/08/68/02/525086802.db2.gz	WOXALCGTSKTBLS-HXUWFJFHSA-N	1	0	361.530	1.920	10	70		FDIERO
C[NH2+]C[C@@H]1CCCN1C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2	ZINC000161384272	525097229	/nfs/dbraw/zinc/09/72/29/525097229.db2.gz	TVLHFVUYNNOXFW-RZFZLAGVSA-N	1	0	352.456	1.166	10	70		FDIERO
C[NH2+]C[C@H]1CCCN1C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2	ZINC000161384588	525097873	/nfs/dbraw/zinc/09/78/73/525097873.db2.gz	TVLHFVUYNNOXFW-YEBMWUKDSA-N	1	0	352.456	1.166	10	70		FDIERO
CCn1c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cc2[nH]c(=O)c1=O	ZINC000160411141	524882530	/nfs/dbraw/zinc/88/25/30/524882530.db2.gz	MNOZWPJHKQHBNO-OAHLLOKOSA-N	1	0	372.469	1.560	10	70		FDIERO
COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C	ZINC000161143151	525041113	/nfs/dbraw/zinc/04/11/13/525041113.db2.gz	DYXGIYQXRNOOSB-SWLSCSKDSA-N	1	0	365.474	1.893	10	70		FDIERO
COCCOc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000159758188	524732193	/nfs/dbraw/zinc/73/21/93/524732193.db2.gz	MXYUJSLMTJPWDV-HZPDHXFCSA-N	1	0	350.459	1.168	10	70		FDIERO
COCCOc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000159758273	524732937	/nfs/dbraw/zinc/73/29/37/524732937.db2.gz	MXYUJSLMTJPWDV-JKSUJKDBSA-N	1	0	350.459	1.168	10	70		FDIERO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC(=O)NCc1cccs1	ZINC000160979424	525009347	/nfs/dbraw/zinc/00/93/47/525009347.db2.gz	NGEYMJJZICEUSU-DYVFJYSZSA-N	1	0	351.472	1.701	10	70		FDIERO
Cc1noc([C@H]2COCCN2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1	ZINC000161078764	525028199	/nfs/dbraw/zinc/02/81/99/525028199.db2.gz	ISTQUJDVFDJIAG-DLBZAZTESA-N	1	0	373.457	1.170	10	70		FDIERO
Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000161144091	525043218	/nfs/dbraw/zinc/04/32/18/525043218.db2.gz	QWTSWQBBGDRNCO-KRWDZBQOSA-N	1	0	356.474	1.675	10	70		FDIERO
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161274227	525069698	/nfs/dbraw/zinc/06/96/98/525069698.db2.gz	CPEGZIDAZVRZEP-BLLLJJGKSA-N	1	0	359.474	1.829	10	70		FDIERO
Cc1ccccc1[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)NC(N)=O	ZINC000160274038	173704413	/nfs/dbraw/zinc/70/44/13/173704413.db2.gz	CKOPWDZOOBFORK-NVXWUHKLSA-N	1	0	362.474	1.058	10	70		FDIERO
CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1	ZINC000160575889	524920311	/nfs/dbraw/zinc/92/03/11/524920311.db2.gz	LCFRNWFVAZQGCX-APWZRJJASA-N	1	0	352.475	1.415	10	70		FDIERO
CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC000161020929	525018658	/nfs/dbraw/zinc/01/86/58/525018658.db2.gz	KETYGNGKUGKILK-YOEHRIQHSA-N	1	0	352.500	1.868	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[NH+](C)C	ZINC000161427550	525107255	/nfs/dbraw/zinc/10/72/55/525107255.db2.gz	SLELNKGHKKVLCN-KRWDZBQOSA-N	1	0	370.501	1.587	10	70		FDIERO
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1	ZINC000160338843	524860292	/nfs/dbraw/zinc/86/02/92/524860292.db2.gz	YDDONNCYPZDRJM-GOEBONIOSA-N	1	0	365.499	1.813	10	70		FDIERO
CCN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000161160286	525045783	/nfs/dbraw/zinc/04/57/83/525045783.db2.gz	YHLVLWFOTLXXMS-GOSISDBHSA-N	1	0	358.486	1.819	10	70		FDIERO
CCc1nc(CC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cs1	ZINC000159370192	524652762	/nfs/dbraw/zinc/65/27/62/524652762.db2.gz	VCFUGUIFTXBTJP-KRWDZBQOSA-N	1	0	359.495	1.783	10	70		FDIERO
C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O	ZINC000159818172	524745064	/nfs/dbraw/zinc/74/50/64/524745064.db2.gz	YIMAFMJRTFWOGT-GOEBONIOSA-N	1	0	359.470	1.815	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1nnc2ccccc2c1=O	ZINC000160507563	524904351	/nfs/dbraw/zinc/90/43/51/524904351.db2.gz	KIPLNDGAVNWYBZ-OAHLLOKOSA-N	1	0	357.458	1.418	10	70		FDIERO
CCOC(=O)c1c(C)oc2nc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)nc(N)c21	ZINC000161110890	525035533	/nfs/dbraw/zinc/03/55/33/525035533.db2.gz	BEBNGNKRSUJWPX-WCQYABFASA-N	1	0	373.457	1.959	10	70		FDIERO
COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161172523	525047448	/nfs/dbraw/zinc/04/74/48/525047448.db2.gz	WHLMHBANVGZYOQ-UONOGXRCSA-N	1	0	374.359	1.492	10	70		FDIERO
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000161498055	525119922	/nfs/dbraw/zinc/11/99/22/525119922.db2.gz	PTHLJTNTMKONSQ-HNNXBMFYSA-N	1	0	350.511	1.946	10	70		FDIERO
CCn1cc(C2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)CC2)cn1	ZINC000159554015	524695073	/nfs/dbraw/zinc/69/50/73/524695073.db2.gz	CIZONTHLEUZCDF-GOSISDBHSA-N	1	0	363.506	1.903	10	70		FDIERO
CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000160073003	524802163	/nfs/dbraw/zinc/80/21/63/524802163.db2.gz	NOLFWAPMYSDSFP-RTBURBONSA-N	1	0	360.502	1.623	10	70		FDIERO
Cc1ccccc1[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)NC(N)=O	ZINC000160273801	524846048	/nfs/dbraw/zinc/84/60/48/524846048.db2.gz	CKOPWDZOOBFORK-DOTOQJQBSA-N	1	0	362.474	1.058	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)C1	ZINC000161316157	525078216	/nfs/dbraw/zinc/07/82/16/525078216.db2.gz	SECLAHWHHUPCFY-QAPCUYQASA-N	1	0	358.486	1.599	10	70		FDIERO
CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)C1	ZINC000160683232	524947728	/nfs/dbraw/zinc/94/77/28/524947728.db2.gz	ABZDFGYZKTYHOS-AWEZNQCLSA-N	1	0	373.432	1.859	10	70		FDIERO
Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1	ZINC000160062592	524798325	/nfs/dbraw/zinc/79/83/25/524798325.db2.gz	CJOFYBIFHHHBTO-CQSZACIVSA-N	1	0	353.488	1.493	10	70		FDIERO
CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	ZINC000160168496	524822508	/nfs/dbraw/zinc/82/25/08/524822508.db2.gz	DKHUWMNCDUBXRT-AWEZNQCLSA-N	1	0	357.458	1.966	10	70		FDIERO
CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC[C@@H]2C[NH3+])CC1	ZINC000160392423	524875927	/nfs/dbraw/zinc/87/59/27/524875927.db2.gz	WXPQQSIPBOQIJY-GOSISDBHSA-N	1	0	358.486	1.900	10	70		FDIERO
CCC[C@@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)[NH+](C)C	ZINC000160934994	524998496	/nfs/dbraw/zinc/99/84/96/524998496.db2.gz	HWLWZXBPEGUWJT-HKUYNNGSSA-N	1	0	363.502	1.301	10	70		FDIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000161265156	525067572	/nfs/dbraw/zinc/06/75/72/525067572.db2.gz	XMIOCMAJRXXHFI-KRWDZBQOSA-N	1	0	360.506	1.891	10	70		FDIERO
CC(C)[C@@H](O)CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000159653719	524715090	/nfs/dbraw/zinc/71/50/90/524715090.db2.gz	LNCZZWBNSMNELZ-SFHVURJKSA-N	1	0	361.486	1.535	10	70		FDIERO
O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCN(c2ncccn2)CC1	ZINC000160515992	524906814	/nfs/dbraw/zinc/90/68/14/524906814.db2.gz	TWOVNIWYBSHGHW-XLIONFOSSA-N	1	0	373.501	1.142	10	70		FDIERO
Cn1cnc2cc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cnc21	ZINC000160882119	524987672	/nfs/dbraw/zinc/98/76/72/524987672.db2.gz	YGCQDANQMCOPFW-SJORKVTESA-N	1	0	357.458	1.466	10	70		FDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C1	ZINC000161125368	525039881	/nfs/dbraw/zinc/03/98/81/525039881.db2.gz	WBLZNABZGRHGIF-DYVFJYSZSA-N	1	0	370.453	1.515	10	70		FDIERO
CCc1n[nH]c(=O)c(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1CC	ZINC000160248540	524841398	/nfs/dbraw/zinc/84/13/98/524841398.db2.gz	NCRPPMCSXOPQNG-CQSZACIVSA-N	1	0	363.506	1.814	10	70		FDIERO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000160473313	524896910	/nfs/dbraw/zinc/89/69/10/524896910.db2.gz	ZPPLGTHINGHKAJ-LSDHHAIUSA-N	1	0	364.494	1.823	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000160571247	524918261	/nfs/dbraw/zinc/91/82/61/524918261.db2.gz	GQFCAEQEQXIEDO-CQSZACIVSA-N	1	0	350.463	1.088	10	70		FDIERO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCOc1cccc(F)c1	ZINC000160610551	524929814	/nfs/dbraw/zinc/92/98/14/524929814.db2.gz	WWWAAVSUMDMRAG-DNVCBOLYSA-N	1	0	350.434	1.948	10	70		FDIERO
CC1CCC(N2C[C@H](C(=O)NCC3CC[NH+](CCO)CC3)CC2=O)CC1	ZINC000160639953	524935125	/nfs/dbraw/zinc/93/51/25/524935125.db2.gz	VRILBBVLOAQDPC-IIIMJFFVSA-N	1	0	365.518	1.234	10	70		FDIERO
COc1ccc(-c2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH]n2)cc1	ZINC000160039198	524795591	/nfs/dbraw/zinc/79/55/91/524795591.db2.gz	YBGWTCWTXZACEW-HNNXBMFYSA-N	1	0	358.442	1.662	10	70		FDIERO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000160101403	524810543	/nfs/dbraw/zinc/81/05/43/524810543.db2.gz	OYHNHESQOJWHMV-ZIAGYGMSSA-N	1	0	350.467	1.433	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O	ZINC000160385120	524876898	/nfs/dbraw/zinc/87/68/98/524876898.db2.gz	WBJFBFZNSAEYDW-OAHLLOKOSA-N	1	0	372.469	1.317	10	70		FDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1	ZINC000160386739	524876960	/nfs/dbraw/zinc/87/69/60/524876960.db2.gz	DPHFLGLMLSSVCB-QGZVFWFLSA-N	1	0	372.469	1.589	10	70		FDIERO
CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160431538	524887954	/nfs/dbraw/zinc/88/79/54/524887954.db2.gz	PNJNCDWUAZMPIO-QGZVFWFLSA-N	1	0	361.486	1.591	10	70		FDIERO
COc1ccc(Br)c(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1	ZINC000160472875	524897211	/nfs/dbraw/zinc/89/72/11/524897211.db2.gz	LDXNCWZAICBFIV-AWEZNQCLSA-N	1	0	371.275	1.789	10	70		FDIERO
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1CC	ZINC000160478306	524898427	/nfs/dbraw/zinc/89/84/27/524898427.db2.gz	NMEVXXIVNHMOLP-KBPBESRZSA-N	1	0	361.490	1.663	10	70		FDIERO
CCC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[NH+](C)C	ZINC000161228035	525061004	/nfs/dbraw/zinc/06/10/04/525061004.db2.gz	BECHBNAZMZWHRR-MOPGFXCFSA-N	1	0	363.502	1.915	10	70		FDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)[C@@H](C)C1	ZINC000161316292	525079883	/nfs/dbraw/zinc/07/98/83/525079883.db2.gz	SECLAHWHHUPCFY-YJBOKZPZSA-N	1	0	358.486	1.599	10	70		FDIERO
COc1cccc(CS(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000161452189	525111458	/nfs/dbraw/zinc/11/14/58/525111458.db2.gz	MYYIDNOMUFMCEL-HNNXBMFYSA-N	1	0	370.515	1.550	10	70		FDIERO
C[NH+](C)Cc1ccc(N2CCN(C(=O)NCCc3cscn3)CC2)nc1	ZINC000159411876	524663358	/nfs/dbraw/zinc/66/33/58/524663358.db2.gz	DIZQMMPMDBCORH-UHFFFAOYSA-N	1	0	374.514	1.674	10	70		FDIERO
Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000161143979	525041530	/nfs/dbraw/zinc/04/15/30/525041530.db2.gz	QWTSWQBBGDRNCO-QGZVFWFLSA-N	1	0	356.474	1.675	10	70		FDIERO
CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[NH+](C)C	ZINC000161228167	525060932	/nfs/dbraw/zinc/06/09/32/525060932.db2.gz	BECHBNAZMZWHRR-RBUKOAKNSA-N	1	0	363.502	1.915	10	70		FDIERO
CCn1cnnc1[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000160107542	524809314	/nfs/dbraw/zinc/80/93/14/524809314.db2.gz	KRDNGHMNOQRJDF-CQSZACIVSA-N	1	0	360.462	1.342	10	70		FDIERO
Cc1ccccc1[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)NC(N)=O	ZINC000160273917	524844515	/nfs/dbraw/zinc/84/45/15/524844515.db2.gz	CKOPWDZOOBFORK-RDJZCZTQSA-N	1	0	362.474	1.058	10	70		FDIERO
O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000160483483	524899266	/nfs/dbraw/zinc/89/92/66/524899266.db2.gz	GXYMTNZZLPVMIR-AABGKKOBSA-N	1	0	373.497	1.662	10	70		FDIERO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc(S(=O)(=O)CC)c1	ZINC000160702963	524950997	/nfs/dbraw/zinc/95/09/97/524950997.db2.gz	ZEPILIPRLAZUBL-MRXNPFEDSA-N	1	0	352.500	1.965	10	70		FDIERO
CCC[C@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)[NH+](C)C	ZINC000160935338	524999735	/nfs/dbraw/zinc/99/97/35/524999735.db2.gz	HWLWZXBPEGUWJT-IEBWSBKVSA-N	1	0	363.502	1.301	10	70		FDIERO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NC1CCC2(CC1)OCCO2	ZINC000161082476	525030888	/nfs/dbraw/zinc/03/08/88/525030888.db2.gz	RMJBETJEXCQMGX-YJBOKZPZSA-N	1	0	352.475	1.415	10	70		FDIERO