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]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#CC[NH3+])s1	ZINC000094440987	193370069	/nfs/dbraw/zinc/37/00/69/193370069.db2.gz	YXLHONSWMXJDNB-LSDHHAIUSA-N	2	0	303.475	2.117	10	30		DEEERP
CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358573103	535740496	/nfs/dbraw/zinc/74/04/96/535740496.db2.gz	QRHUFVHCXOYVOU-HUUCEWRRSA-N	2	0	318.440	2.374	10	30		DEEERP
CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@@]2(CCCOC2)C1	ZINC000262808047	625423032	/nfs/dbraw/zinc/42/30/32/625423032.db2.gz	SUOCDXQVGZWNLP-GOSISDBHSA-N	2	0	324.513	2.233	10	30		DEEERP
[NH3+]CC#Cc1csc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1	ZINC000062982323	184264190	/nfs/dbraw/zinc/26/41/90/184264190.db2.gz	HGJCWRMVGOALGW-MRXNPFEDSA-N	2	0	303.475	2.119	10	30		DEEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)s2)CC1	ZINC000121138788	402017017	/nfs/dbraw/zinc/01/70/17/402017017.db2.gz	YFCKCRPNAWMLTI-CYBMUJFWSA-N	2	0	307.463	2.144	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000424297983	405061114	/nfs/dbraw/zinc/06/11/14/405061114.db2.gz	RRHQFNXASRJANB-XSLAGTTESA-N	2	0	310.482	2.304	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C	ZINC000170830320	276891568	/nfs/dbraw/zinc/89/15/68/276891568.db2.gz	TYMGCXCDXWQSSP-DLBZAZTESA-N	2	0	322.497	2.031	10	30		DEEERP
CCN(CC)C(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262490521	527980757	/nfs/dbraw/zinc/98/07/57/527980757.db2.gz	UTQXHNDAIHWZNV-UHFFFAOYSA-N	2	0	320.403	2.448	10	30		DEEERP
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)cc1)C2	ZINC000888097222	635540563	/nfs/dbraw/zinc/54/05/63/635540563.db2.gz	FHFUNDWAQDRDSU-NCXUSEDFSA-N	2	0	313.445	2.128	10	30		DEEERP
CCc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCOC)cc1	ZINC000104192553	684059287	/nfs/dbraw/zinc/05/92/87/684059287.db2.gz	KYGLAWBOCQXGHY-INIZCTEOSA-N	2	0	304.438	2.086	10	30		DEEERP
C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000083031543	355462417	/nfs/dbraw/zinc/46/24/17/355462417.db2.gz	DOOVLXLIMSAZKR-GOEBONIOSA-N	2	0	316.449	2.289	10	30		DEEERP
C=CCOc1ccccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1	ZINC000105477010	355720625	/nfs/dbraw/zinc/72/06/25/355720625.db2.gz	IRWMIMORCQGVTD-UHFFFAOYSA-N	2	0	317.477	2.369	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C	ZINC000626936359	366367319	/nfs/dbraw/zinc/36/73/19/366367319.db2.gz	IYHXQHMYKYIYLY-GVDBMIGSSA-N	2	0	322.497	2.125	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCC)CC2)CC1	ZINC000171730049	402615620	/nfs/dbraw/zinc/61/56/20/402615620.db2.gz	HYWXNVATQUAADU-UHFFFAOYSA-N	2	0	322.497	2.058	10	30		DEEERP
C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000362298472	403942289	/nfs/dbraw/zinc/94/22/89/403942289.db2.gz	BBDZQASMGARBGN-IRXDYDNUSA-N	2	0	309.498	2.463	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000424297979	405061175	/nfs/dbraw/zinc/06/11/75/405061175.db2.gz	RRHQFNXASRJANB-OWSLCNJRSA-N	2	0	310.482	2.304	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C	ZINC000573384308	406773692	/nfs/dbraw/zinc/77/36/92/406773692.db2.gz	VRSZBRPJMQPPIA-SJORKVTESA-N	2	0	307.482	2.143	10	30		DEEERP
C=CCOc1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)cc1	ZINC000414941347	404771250	/nfs/dbraw/zinc/77/12/50/404771250.db2.gz	AHAILKFVUFFOIH-UHFFFAOYSA-N	2	0	304.434	2.357	10	30		DEEERP
[NH2+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@@H]1CCCO1	ZINC000262822956	225286261	/nfs/dbraw/zinc/28/62/61/225286261.db2.gz	YWXQHAPVMSAPDA-INIZCTEOSA-N	2	0	322.497	2.116	10	30		DEEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccccc2)CC1	ZINC000192003330	534077681	/nfs/dbraw/zinc/07/76/81/534077681.db2.gz	PKWMNDKBORTXHL-KRWDZBQOSA-N	2	0	300.446	2.063	10	30		DEEERP
C[NH+]=C(NC1CC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262450011	639174536	/nfs/dbraw/zinc/17/45/36/639174536.db2.gz	ZNHFJNIABFHNOZ-UHFFFAOYSA-N	2	0	318.387	2.119	10	30		DEEERP
C[C@H]1C[NH+](CCOc2cccc(C#CC[NH3+])c2)C[C@H](C)S1	ZINC000070384861	190883674	/nfs/dbraw/zinc/88/36/74/190883674.db2.gz	BLNONCGSYVMQIA-GJZGRUSLSA-N	2	0	304.459	2.201	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1	ZINC000106332807	194198649	/nfs/dbraw/zinc/19/86/49/194198649.db2.gz	IWSCOXZXTZJIMR-QGZVFWFLSA-N	2	0	324.513	2.302	10	30		DEEERP
C[C@H]1SCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)[C@@H]1C	ZINC000133761140	196334689	/nfs/dbraw/zinc/33/46/89/196334689.db2.gz	QWYVQHVXCFAQBI-HUUCEWRRSA-N	2	0	304.459	2.201	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	ZINC000262574779	526369954	/nfs/dbraw/zinc/36/99/54/526369954.db2.gz	ZWJXUFQTOFNOPX-JYJNAYRXSA-N	2	0	324.513	2.087	10	30		DEEERP
C[C@H]1CCCN(C(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)C1	ZINC000304754707	685260101	/nfs/dbraw/zinc/26/01/01/685260101.db2.gz	MCAGVWJTAXERAG-ZDUSSCGKSA-N	2	0	306.429	2.434	10	30		DEEERP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000104192575	684059061	/nfs/dbraw/zinc/05/90/61/684059061.db2.gz	UUTAYXVKMSXQEL-KRWDZBQOSA-N	2	0	316.449	2.013	10	30		DEEERP
C[C@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCC(C)CC1	ZINC000303902052	685238547	/nfs/dbraw/zinc/23/85/47/685238547.db2.gz	XOZSERGSMFEDQH-CQSZACIVSA-N	2	0	308.495	2.315	10	30		DEEERP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1	ZINC000303991102	685242843	/nfs/dbraw/zinc/24/28/43/685242843.db2.gz	ZFSAIHBNTWFWFY-INIZCTEOSA-N	2	0	304.438	2.141	10	30		DEEERP
COc1ccc(C#CC[NH3+])c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1	ZINC000087794998	185232257	/nfs/dbraw/zinc/23/22/57/185232257.db2.gz	JCYIBQYOFOHMQY-KBPBESRZSA-N	2	0	304.459	2.331	10	30		DEEERP
C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2sccc2C#N)CC1	ZINC000091872922	193120853	/nfs/dbraw/zinc/12/08/53/193120853.db2.gz	ONJQTWNZWOTBBZ-UHFFFAOYSA-N	2	0	306.435	2.021	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C	ZINC000170830324	402530141	/nfs/dbraw/zinc/53/01/41/402530141.db2.gz	TYMGCXCDXWQSSP-IAGOWNOFSA-N	2	0	322.497	2.031	10	30		DEEERP
C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)(N2CCCCC2)CC1	ZINC000174581733	402747359	/nfs/dbraw/zinc/74/73/59/402747359.db2.gz	YMZKLKLXDHIUHU-UHFFFAOYSA-N	2	0	316.449	2.191	10	30		DEEERP
CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@]2(CCCOC2)C1	ZINC000262808051	280838558	/nfs/dbraw/zinc/83/85/58/280838558.db2.gz	SUOCDXQVGZWNLP-SFHVURJKSA-N	2	0	324.513	2.233	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C2CC2)cc1	ZINC000191160994	625506703	/nfs/dbraw/zinc/50/67/03/625506703.db2.gz	HYIKSRJOOMNRRN-QGZVFWFLSA-N	2	0	300.450	2.453	10	30		DEEERP
CC#CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000119186434	401932226	/nfs/dbraw/zinc/93/22/26/401932226.db2.gz	SKEIHFAZSODBBN-IBGZPJMESA-N	2	0	300.446	2.387	10	30		DEEERP
C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000262448568	274285415	/nfs/dbraw/zinc/28/54/15/274285415.db2.gz	DOOVLXLIMSAZKR-ZBFHGGJFSA-N	2	0	316.449	2.289	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NCC1CCSCC1)=[NH+]C	ZINC000262775244	276369663	/nfs/dbraw/zinc/36/96/63/276369663.db2.gz	JTNADPJRXSJVAB-OAHLLOKOSA-N	2	0	312.527	2.121	10	30		DEEERP
C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261964941	526349954	/nfs/dbraw/zinc/34/99/54/526349954.db2.gz	LDCVYDSGSBCTKY-GOEBONIOSA-N	2	0	306.498	2.460	10	30		DEEERP
CCC[NH+]1CCC(CNC(=[NH2+])NCCc2cccs2)CC1	ZINC000303887507	685238071	/nfs/dbraw/zinc/23/80/71/685238071.db2.gz	OLDNKBRHTBHJRD-UHFFFAOYSA-N	2	0	308.495	2.317	10	30		DEEERP
C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+](C)Cc1ccccc1	ZINC000594437120	358270391	/nfs/dbraw/zinc/27/03/91/358270391.db2.gz	IFUFOEBZCXGJFE-RDJZCZTQSA-N	2	0	316.449	2.034	10	30		DEEERP
CC[C@H]1C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CCS1	ZINC000158020948	197236248	/nfs/dbraw/zinc/23/62/48/197236248.db2.gz	NSONKBNEOYNMPS-KRWDZBQOSA-N	2	0	304.459	2.203	10	30		DEEERP
CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1	ZINC000245726208	402483444	/nfs/dbraw/zinc/48/34/44/402483444.db2.gz	IUFOOFLYCMMNOM-WMLDXEAASA-N	2	0	311.433	2.368	10	30		DEEERP
COc1ccc(C#CC[NH3+])c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1	ZINC000133756811	196334862	/nfs/dbraw/zinc/33/48/62/196334862.db2.gz	HZBIROPCGLJNIC-KBPBESRZSA-N	2	0	304.459	2.331	10	30		DEEERP
C[NH+]=C(NCc1cccs1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262844807	526386594	/nfs/dbraw/zinc/38/65/94/526386594.db2.gz	YDRHKKQTLFKNMF-ZDUSSCGKSA-N	2	0	306.479	2.430	10	30		DEEERP
C(#Cc1ccccc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000377011656	527464682	/nfs/dbraw/zinc/46/46/82/527464682.db2.gz	CASBCYJIHYAWJU-UHFFFAOYSA-N	2	0	312.457	2.472	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)C(C)C	ZINC000626937138	366368490	/nfs/dbraw/zinc/36/84/90/366368490.db2.gz	ONVPKPBCSWJBNM-GVDBMIGSSA-N	2	0	322.497	2.125	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1	ZINC000106331445	194197735	/nfs/dbraw/zinc/19/77/35/194197735.db2.gz	SUGACCHBIYGPEN-OAHLLOKOSA-N	2	0	310.486	2.056	10	30		DEEERP
C[NH+]=C(NCc1ncccc1C)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262812538	526390979	/nfs/dbraw/zinc/39/09/79/526390979.db2.gz	VQDCLBRROSAKPO-HNNXBMFYSA-N	2	0	315.465	2.072	10	30		DEEERP
C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000262849524	640689959	/nfs/dbraw/zinc/68/99/59/640689959.db2.gz	ZJGLDASEAAWHMB-MUIFIZLQSA-N	2	0	300.450	2.395	10	30		DEEERP
C[C@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCC[C@H](C)C1	ZINC000303902942	685240214	/nfs/dbraw/zinc/24/02/14/685240214.db2.gz	UIJKQHXFPIZRFH-UONOGXRCSA-N	2	0	308.495	2.315	10	30		DEEERP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1	ZINC000303991103	685243298	/nfs/dbraw/zinc/24/32/98/685243298.db2.gz	ZFSAIHBNTWFWFY-MRXNPFEDSA-N	2	0	304.438	2.141	10	30		DEEERP
C=CCNC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1	ZINC000578866214	356884168	/nfs/dbraw/zinc/88/41/68/356884168.db2.gz	LRIQZHFPTCSXEH-QGZVFWFLSA-N	2	0	313.445	2.075	10	30		DEEERP
C=CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1	ZINC000150877263	402002812	/nfs/dbraw/zinc/00/28/12/402002812.db2.gz	KRQPUDSGYAONMF-UHFFFAOYSA-N	2	0	307.482	2.408	10	30		DEEERP
C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1C	ZINC000123200682	402115295	/nfs/dbraw/zinc/11/52/95/402115295.db2.gz	GFVUQIHCNVRZDM-GDBMZVCRSA-N	2	0	314.433	2.301	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1	ZINC000358818308	404776826	/nfs/dbraw/zinc/77/68/26/404776826.db2.gz	VOZIVTVASAQWJT-UHFFFAOYSA-N	2	0	322.497	2.201	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000174770309	356007564	/nfs/dbraw/zinc/00/75/64/356007564.db2.gz	RYFMWPZVGBINQT-DOTOQJQBSA-N	2	0	322.497	2.151	10	30		DEEERP
C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1F	ZINC000442871814	533394749	/nfs/dbraw/zinc/39/47/49/533394749.db2.gz	GYLZHLSVCUVWPC-CQSZACIVSA-N	2	0	318.440	2.374	10	30		DEEERP
C[C@@H]([NH3+])/C=N/c1ccc(Cc2ccc(/N=C\C(N)N)cc2)cc1	ZINC000097971506	402133969	/nfs/dbraw/zinc/13/39/69/402133969.db2.gz	BTNGKPJAJHCRPX-OATGXLNVSA-N	2	0	309.417	2.273	10	30		DEEERP
C=CCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1	ZINC000349850159	404226085	/nfs/dbraw/zinc/22/60/85/404226085.db2.gz	LJFOEVCYMIGPNS-KRWDZBQOSA-N	2	0	317.477	2.367	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1oc(C[NH3+])cc1C)C(C)C	ZINC000638067756	406553523	/nfs/dbraw/zinc/55/35/23/406553523.db2.gz	FEJVOJXGIWPMGZ-INIZCTEOSA-N	2	0	319.449	2.475	10	30		DEEERP
CC[NH+]=C(NCc1ccoc1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000263126724	528818824	/nfs/dbraw/zinc/81/88/24/528818824.db2.gz	FUEQNNKEUIVUDE-HNNXBMFYSA-N	2	0	304.438	2.352	10	30		DEEERP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C	ZINC000104192535	684059036	/nfs/dbraw/zinc/05/90/36/684059036.db2.gz	PBHFOKFCYYFWME-CVEARBPZSA-N	2	0	312.502	2.216	10	30		DEEERP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1cc(OC)ccc1OC	ZINC000303898823	685239185	/nfs/dbraw/zinc/23/91/85/685239185.db2.gz	RFHSWZSDSJSKPS-GFCCVEGCSA-N	2	0	308.426	2.161	10	30		DEEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(F)cc2)CC1	ZINC000159934810	197374796	/nfs/dbraw/zinc/37/47/96/197374796.db2.gz	NRHRBLNHOAFGBG-INIZCTEOSA-N	2	0	318.436	2.202	10	30		DEEERP
COc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1C#CC[NH3+]	ZINC000159051987	197322890	/nfs/dbraw/zinc/32/28/90/197322890.db2.gz	AYGJRVDVWZUMEF-UHFFFAOYSA-N	2	0	304.459	2.333	10	30		DEEERP
C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CN1CC[NH+](C)CC1	ZINC000358576607	147159343	/nfs/dbraw/zinc/15/93/43/147159343.db2.gz	UNCNYTMVQGPZID-CABCVRRESA-N	2	0	318.440	2.231	10	30		DEEERP
Cc1cc(C#N)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000186210452	402410913	/nfs/dbraw/zinc/41/09/13/402410913.db2.gz	PDEUWPMSQVXMKR-INIZCTEOSA-N	2	0	315.461	2.391	10	30		DEEERP
CC(C)CCC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1	ZINC000104169705	684058809	/nfs/dbraw/zinc/05/88/09/684058809.db2.gz	KXBQBWWRFBVIGH-INIZCTEOSA-N	2	0	312.502	2.218	10	30		DEEERP
[NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCSCC1	ZINC000303793125	685235089	/nfs/dbraw/zinc/23/50/89/685235089.db2.gz	ZDIXXWCARHFNSF-UHFFFAOYSA-N	2	0	318.490	2.146	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C	ZINC000618555081	363526087	/nfs/dbraw/zinc/52/60/87/363526087.db2.gz	HBYOGMKDFUJYRA-IRXDYDNUSA-N	2	0	322.497	2.078	10	30		DEEERP
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#CC[NH3+])cs1	ZINC000094440988	193370143	/nfs/dbraw/zinc/37/01/43/193370143.db2.gz	LQZQQLHERBCYNU-GDBMZVCRSA-N	2	0	303.475	2.117	10	30		DEEERP
CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000175728859	402827297	/nfs/dbraw/zinc/82/72/97/402827297.db2.gz	APBBGMXEMBJZPA-RHSMWYFYSA-N	2	0	314.433	2.159	10	30		DEEERP
COC(=O)c1cccc(CN2CCC(c3ncc[nH]3)CC2)c1C#N	ZINC000535207002	406216075	/nfs/dbraw/zinc/21/60/75/406216075.db2.gz	QGOMGOHMLVBCDE-UHFFFAOYSA-N	2	0	324.384	2.448	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C	ZINC000573384305	406772372	/nfs/dbraw/zinc/77/23/72/406772372.db2.gz	VRSZBRPJMQPPIA-DLBZAZTESA-N	2	0	307.482	2.143	10	30		DEEERP
C[C@H]1CC[C@@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262476764	533721176	/nfs/dbraw/zinc/72/11/76/533721176.db2.gz	CCYLEAOFTOWYBB-YOEHRIQHSA-N	2	0	300.450	2.354	10	30		DEEERP
C=CCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1	ZINC000337307619	526861391	/nfs/dbraw/zinc/86/13/91/526861391.db2.gz	WSKIIUDZISTEPL-UHFFFAOYSA-N	2	0	317.477	2.321	10	30		DEEERP
C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F	ZINC000611586378	361641033	/nfs/dbraw/zinc/64/10/33/361641033.db2.gz	PUVLPSRBGTVYIN-CQSZACIVSA-N	2	0	318.440	2.374	10	30		DEEERP
COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1C#CC[NH3+]	ZINC000133763439	196334966	/nfs/dbraw/zinc/33/49/66/196334966.db2.gz	UEEKSGOCLXQGFB-KBPBESRZSA-N	2	0	304.459	2.331	10	30		DEEERP
COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCS[C@H](C)[C@@H]1C	ZINC000133767017	196335735	/nfs/dbraw/zinc/33/57/35/196335735.db2.gz	FHOKEKFEACNJOK-UONOGXRCSA-N	2	0	304.459	2.331	10	30		DEEERP
CCNC(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)=[NH+]CC	ZINC000066243805	625057007	/nfs/dbraw/zinc/05/70/07/625057007.db2.gz	ASQBFJVRLBJASQ-QGZVFWFLSA-N	2	0	302.466	2.474	10	30		DEEERP
C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NCCc1cccs1	ZINC000303770090	685233661	/nfs/dbraw/zinc/23/36/61/685233661.db2.gz	BOFSIZFOYGTWDR-CQSZACIVSA-N	2	0	308.495	2.459	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1	ZINC000174770297	356007622	/nfs/dbraw/zinc/00/76/22/356007622.db2.gz	RYFMWPZVGBINQT-NVXWUHKLSA-N	2	0	322.497	2.151	10	30		DEEERP
C[NH+]=C(NCc1ncccc1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262812541	526391716	/nfs/dbraw/zinc/39/17/16/526391716.db2.gz	VQDCLBRROSAKPO-OAHLLOKOSA-N	2	0	315.465	2.072	10	30		DEEERP
COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1	ZINC000303776255	685234062	/nfs/dbraw/zinc/23/40/62/685234062.db2.gz	HTQLMHLNQYTKHX-OAHLLOKOSA-N	2	0	318.465	2.112	10	30		DEEERP
C[C@@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCCCC1	ZINC000303888763	685238077	/nfs/dbraw/zinc/23/80/77/685238077.db2.gz	PCXLCFNCVKNOSI-AWEZNQCLSA-N	2	0	308.495	2.317	10	30		DEEERP
CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CCOC)c1	ZINC000303971704	685241310	/nfs/dbraw/zinc/24/13/10/685241310.db2.gz	DWCWELDTKOBRPB-MRXNPFEDSA-N	2	0	304.438	2.086	10	30		DEEERP
COc1ccc(C[N@H+](C)CCC(F)(F)F)cc1C#CC[NH3+]	ZINC000088433443	185249814	/nfs/dbraw/zinc/24/98/14/185249814.db2.gz	VKLBDUWJOQSBQN-UHFFFAOYSA-N	2	0	300.324	2.390	10	30		DEEERP
N#Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000171139491	283187111	/nfs/dbraw/zinc/18/71/11/283187111.db2.gz	OETZSMAIEKNAQV-IBGZPJMESA-N	2	0	313.445	2.399	10	30		DEEERP
C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F	ZINC000611586375	361640901	/nfs/dbraw/zinc/64/09/01/361640901.db2.gz	PUVLPSRBGTVYIN-AWEZNQCLSA-N	2	0	318.440	2.374	10	30		DEEERP
C=CCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000158611907	402308990	/nfs/dbraw/zinc/30/89/90/402308990.db2.gz	YOIZSJQVEHNHCN-KRWDZBQOSA-N	2	0	303.450	2.304	10	30		DEEERP
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)cc1)C2	ZINC000888097223	635540678	/nfs/dbraw/zinc/54/06/78/635540678.db2.gz	FHFUNDWAQDRDSU-YRXWBPOGSA-N	2	0	313.445	2.128	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(F)cc1F	ZINC000304747335	685258774	/nfs/dbraw/zinc/25/87/74/685258774.db2.gz	GGUJEHDMGHMGJU-OCCSQVGLSA-N	2	0	324.419	2.457	10	30		DEEERP
C[C@@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCC[C@@H](C)C1	ZINC000303902939	685240454	/nfs/dbraw/zinc/24/04/54/685240454.db2.gz	UIJKQHXFPIZRFH-KGLIPLIRSA-N	2	0	308.495	2.315	10	30		DEEERP
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(C[NH2+]C2)O1	ZINC000595886854	358572126	/nfs/dbraw/zinc/57/21/26/358572126.db2.gz	ZZZVLEVDMPZXPC-INIZCTEOSA-N	2	0	317.389	2.104	10	30		DEEERP
C=CCCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000179231329	402582412	/nfs/dbraw/zinc/58/24/12/402582412.db2.gz	RZHFECOJYNNOFL-SJPCQFCGSA-N	2	0	305.466	2.112	10	30		DEEERP
CCc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CCOC)cc1	ZINC000104192556	624782821	/nfs/dbraw/zinc/78/28/21/624782821.db2.gz	KYGLAWBOCQXGHY-MRXNPFEDSA-N	2	0	304.438	2.086	10	30		DEEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1Cl	ZINC000114085598	651893843	/nfs/dbraw/zinc/89/38/43/651893843.db2.gz	YRLSDOKZOXKWJV-CQSZACIVSA-N	2	0	308.857	2.441	10	30		DEEERP
CC[NH+]1CCC(CCNC(=[NH2+])NCCc2cccs2)CC1	ZINC000304751897	685259995	/nfs/dbraw/zinc/25/99/95/685259995.db2.gz	JRTQJPILLCLEPO-UHFFFAOYSA-N	2	0	308.495	2.317	10	30		DEEERP
CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCOC)c1	ZINC000303971703	685241629	/nfs/dbraw/zinc/24/16/29/685241629.db2.gz	DWCWELDTKOBRPB-INIZCTEOSA-N	2	0	304.438	2.086	10	30		DEEERP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1	ZINC000303990680	685242817	/nfs/dbraw/zinc/24/28/17/685242817.db2.gz	YYECVZJTTOELCG-MRXNPFEDSA-N	2	0	304.438	2.141	10	30		DEEERP
C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)CCC(F)(F)F	ZINC000088433434	185249737	/nfs/dbraw/zinc/24/97/37/185249737.db2.gz	GQGLQQXDACVNNB-UHFFFAOYSA-N	2	0	300.324	2.260	10	30		DEEERP
COc1cccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1	ZINC000262481675	533574578	/nfs/dbraw/zinc/57/45/78/533574578.db2.gz	RSAVCDQNKGSAEZ-UHFFFAOYSA-N	2	0	302.422	2.439	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1	ZINC000353330106	404804663	/nfs/dbraw/zinc/80/46/63/404804663.db2.gz	SADFFWWVRXMOFY-KRWDZBQOSA-N	2	0	307.482	2.408	10	30		DEEERP
C=CC[C@@]1(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCC[NH2+]1	ZINC000638860740	405722003	/nfs/dbraw/zinc/72/20/03/405722003.db2.gz	DQVLGWYWQJCXLW-SFHVURJKSA-N	2	0	305.466	2.162	10	30		DEEERP
CC[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261963033	528819549	/nfs/dbraw/zinc/81/95/49/528819549.db2.gz	KTRDVYLPDCFBCR-TZMCWYRMSA-N	2	0	323.510	2.235	10	30		DEEERP
C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000262849526	640689447	/nfs/dbraw/zinc/68/94/47/640689447.db2.gz	ZJGLDASEAAWHMB-XOSAIJSUSA-N	2	0	300.450	2.395	10	30		DEEERP
CC#CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716626545	792980139	/nfs/dbraw/zinc/98/01/39/792980139.db2.gz	OQCHKACSFYWFFP-HAGHYFMRSA-N	2	0	312.457	2.403	10	30		DEEERP
C=CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1	ZINC000625704657	365877823	/nfs/dbraw/zinc/87/78/23/365877823.db2.gz	ZMDHRUPINAEQEY-SJLPKXTDSA-N	2	0	315.461	2.304	10	30		DEEERP
C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1F	ZINC000358565644	147157592	/nfs/dbraw/zinc/15/75/92/147157592.db2.gz	HTCQKMUDVYVJPF-CQSZACIVSA-N	2	0	318.440	2.374	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)CC1	ZINC000177492745	402408713	/nfs/dbraw/zinc/40/87/13/402408713.db2.gz	DUWWGUUHPRCZIH-QGZVFWFLSA-N	2	0	322.497	2.153	10	30		DEEERP
C=CCCCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000193336590	527131887	/nfs/dbraw/zinc/13/18/87/527131887.db2.gz	JTUVXZHGMUNMJR-LJQANCHMSA-N	2	0	323.525	2.460	10	30		DEEERP
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000194734794	527625265	/nfs/dbraw/zinc/62/52/65/527625265.db2.gz	JQYJTEGGCVKUEQ-QGZVFWFLSA-N	2	0	319.493	2.383	10	30		DEEERP
CCC[NH+]1CCC(NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)CC1	ZINC000262392333	528195357	/nfs/dbraw/zinc/19/53/57/528195357.db2.gz	ITFYQWHAQZTALD-CRAIPNDOSA-N	2	0	324.513	2.229	10	30		DEEERP
CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261797470	528811196	/nfs/dbraw/zinc/81/11/96/528811196.db2.gz	RLZAUYQFTDDKTG-ULQDDVLXSA-N	2	0	306.498	2.416	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(F)c1	ZINC000304755425	685260016	/nfs/dbraw/zinc/26/00/16/685260016.db2.gz	MSPRBBLQCQWBEB-INIZCTEOSA-N	2	0	306.429	2.147	10	30		DEEERP
[NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCC1CCC1	ZINC000303791580	685235937	/nfs/dbraw/zinc/23/59/37/685235937.db2.gz	XSEYSSZIFDYXQX-UHFFFAOYSA-N	2	0	300.450	2.487	10	30		DEEERP
CC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#CC[NH3+])c2)CCS1	ZINC000158021760	197235573	/nfs/dbraw/zinc/23/55/73/197235573.db2.gz	RTEOYADFCUYECH-MRXNPFEDSA-N	2	0	304.459	2.333	10	30		DEEERP
CN(C(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000162458719	402420458	/nfs/dbraw/zinc/42/04/58/402420458.db2.gz	PWLXLFJYBAHSND-SFHVURJKSA-N	2	0	300.450	2.450	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C	ZINC000195129270	402832963	/nfs/dbraw/zinc/83/29/63/402832963.db2.gz	QOBUOGSECGHOQA-IRXDYDNUSA-N	2	0	322.497	2.078	10	30		DEEERP
C=CCOc1ccccc1CNC1(CCO)CC[NH+](C)CC1	ZINC000568239536	406217300	/nfs/dbraw/zinc/21/73/00/406217300.db2.gz	OQOMSRGBQJQGLC-UHFFFAOYSA-N	2	0	304.434	2.188	10	30		DEEERP
CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358573101	535741695	/nfs/dbraw/zinc/74/16/95/535741695.db2.gz	QRHUFVHCXOYVOU-CABCVRRESA-N	2	0	318.440	2.374	10	30		DEEERP
C[N@@H+](Cc1cc(C#CCCO)cs1)CC1CC[NH+](C)CC1	ZINC000063121454	184271731	/nfs/dbraw/zinc/27/17/31/184271731.db2.gz	YWTJAAWTGHOBPW-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CN1CC[NH+](C)CC1	ZINC000358576611	147159306	/nfs/dbraw/zinc/15/93/06/147159306.db2.gz	UNCNYTMVQGPZID-GJZGRUSLSA-N	2	0	318.440	2.231	10	30		DEEERP
C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1F	ZINC000358576620	147159696	/nfs/dbraw/zinc/15/96/96/147159696.db2.gz	UNCNYTMVQGPZID-LSDHHAIUSA-N	2	0	318.440	2.231	10	30		DEEERP
CC[C@@H](C)NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262360138	529349297	/nfs/dbraw/zinc/34/92/97/529349297.db2.gz	KDCDFBVDEUTIMR-QFWMXSHPSA-N	2	0	320.403	2.495	10	30		DEEERP
CC[C@H](C)NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262360135	529695285	/nfs/dbraw/zinc/69/52/85/529695285.db2.gz	KDCDFBVDEUTIMR-PKSQDBQZSA-N	2	0	320.403	2.495	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C	ZINC000618555079	363525852	/nfs/dbraw/zinc/52/58/52/363525852.db2.gz	HBYOGMKDFUJYRA-DLBZAZTESA-N	2	0	322.497	2.078	10	30		DEEERP
CC[C@H]1C[N@H+](Cc2ccc(OC)c(C#CC[NH3+])c2)CCS1	ZINC000158021897	197235624	/nfs/dbraw/zinc/23/56/24/197235624.db2.gz	RTEOYADFCUYECH-INIZCTEOSA-N	2	0	304.459	2.333	10	30		DEEERP
Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000252744127	145200761	/nfs/dbraw/zinc/20/07/61/145200761.db2.gz	VUTPIEIBMRLCAO-FUHWJXTLSA-N	2	0	324.428	2.280	10	30		DEEERP
C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1	ZINC000133760716	196334463	/nfs/dbraw/zinc/33/44/63/196334463.db2.gz	QWYVQHVXCFAQBI-CABCVRRESA-N	2	0	304.459	2.201	10	30		DEEERP
CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1	ZINC000330113088	276358237	/nfs/dbraw/zinc/35/82/37/276358237.db2.gz	CMCSBCMBAHFAHI-MAUKXSAKSA-N	2	0	323.481	2.054	10	30		DEEERP
C[NH+]=C(NCC1([NH+](C)C)CCCC1)N(C)Cc1csc(C)n1	ZINC000261846245	526349715	/nfs/dbraw/zinc/34/97/15/526349715.db2.gz	WWRUZJOWNASAHO-UHFFFAOYSA-N	2	0	323.510	2.333	10	30		DEEERP
C=CCOc1ccccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1	ZINC000441388594	526949493	/nfs/dbraw/zinc/94/94/93/526949493.db2.gz	SOILSHFAVMWRFJ-UHFFFAOYSA-N	2	0	317.477	2.367	10	30		DEEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1ccc(Cl)cc1	ZINC000114085483	651894381	/nfs/dbraw/zinc/89/43/81/651894381.db2.gz	AZUVKWYNWIDLQI-OAHLLOKOSA-N	2	0	308.857	2.441	10	30		DEEERP
Cc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000303779404	685234420	/nfs/dbraw/zinc/23/44/20/685234420.db2.gz	KNJYZEIFYFDTMU-HUUCEWRRSA-N	2	0	304.438	2.221	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(SC)cc1	ZINC000303903651	685239849	/nfs/dbraw/zinc/23/98/49/685239849.db2.gz	YMMRFCOEIWVRKN-CQSZACIVSA-N	2	0	306.479	2.297	10	30		DEEERP
C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1F	ZINC000543761980	285317301	/nfs/dbraw/zinc/31/73/01/285317301.db2.gz	BUPROVWOYCCKPJ-HNNXBMFYSA-N	2	0	318.440	2.376	10	30		DEEERP
CC(=[NH2+])Nc1ccc2c(c1)C(=O)c1ccc(NC(C)=[NH2+])cc1C2=O	ZINC000169324866	402501644	/nfs/dbraw/zinc/50/16/44/402501644.db2.gz	ABTJKSXWKLPJBL-UHFFFAOYSA-N	2	0	320.352	2.479	10	30		DEEERP
C=CC[C@]1(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCC[NH2+]1	ZINC000638860739	405722420	/nfs/dbraw/zinc/72/24/20/405722420.db2.gz	DQVLGWYWQJCXLW-GOSISDBHSA-N	2	0	305.466	2.162	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1	ZINC000341429594	526432359	/nfs/dbraw/zinc/43/23/59/526432359.db2.gz	HQBFKJRCOYIFRS-IYBDPMFKSA-N	2	0	322.497	2.199	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1COc2cccc(Cl)c21	ZINC000262283078	529101446	/nfs/dbraw/zinc/10/14/46/529101446.db2.gz	LNUJSTAWTKDESP-AAEUAGOBSA-N	2	0	322.840	2.162	10	30		DEEERP
CCc1nc(CNC(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)=[NH+]C)cs1	ZINC000158290234	624881475	/nfs/dbraw/zinc/88/14/75/624881475.db2.gz	VOBXXBWJSFVGGQ-GXTWGEPZSA-N	2	0	323.510	2.099	10	30		DEEERP
[NH2+]=C(NCCC[NH+]1CCCCCC1)NCCc1cccs1	ZINC000303780867	685234096	/nfs/dbraw/zinc/23/40/96/685234096.db2.gz	LTXUYKFGQVIIFU-UHFFFAOYSA-N	2	0	308.495	2.461	10	30		DEEERP
CC#CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716626556	792980678	/nfs/dbraw/zinc/98/06/78/792980678.db2.gz	OQCHKACSFYWFFP-YRPNKDGESA-N	2	0	312.457	2.403	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1	ZINC000119949175	195068605	/nfs/dbraw/zinc/06/86/05/195068605.db2.gz	QMUAHUKQKPLNRX-WBVHZDCISA-N	2	0	322.497	2.055	10	30		DEEERP
CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000156751609	197137601	/nfs/dbraw/zinc/13/76/01/197137601.db2.gz	YAZHNJJQZLAAAG-ZDUSSCGKSA-N	2	0	308.451	2.254	10	30		DEEERP
C=CC[N@@H+]1CCO[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000503719952	257207151	/nfs/dbraw/zinc/20/71/51/257207151.db2.gz	PPTYRGKPTLCNSA-MOPGFXCFSA-N	2	0	311.429	2.267	10	30		DEEERP
C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C#N)cc1F	ZINC000358592135	404767818	/nfs/dbraw/zinc/76/78/18/404767818.db2.gz	PODXZDWUXRCJEJ-HNNXBMFYSA-N	2	0	318.440	2.376	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000424383524	405079365	/nfs/dbraw/zinc/07/93/65/405079365.db2.gz	UHVMEYRINYQIIX-LKCYJCQHSA-N	2	0	314.429	2.423	10	30		DEEERP
CN(C(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000162458592	224730824	/nfs/dbraw/zinc/73/08/24/224730824.db2.gz	PWLXLFJYBAHSND-GOSISDBHSA-N	2	0	300.450	2.450	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000417523743	526435044	/nfs/dbraw/zinc/43/50/44/526435044.db2.gz	IRYSRPJWNVMEGO-CQSZACIVSA-N	2	0	316.449	2.156	10	30		DEEERP
CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000449757121	535674118	/nfs/dbraw/zinc/67/41/18/535674118.db2.gz	XGXVTGHNYILGRX-UHFFFAOYSA-N	2	0	300.450	2.064	10	30		DEEERP
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#CC[NH3+])cs1	ZINC000094440989	193369895	/nfs/dbraw/zinc/36/98/95/193369895.db2.gz	LQZQQLHERBCYNU-GOEBONIOSA-N	2	0	303.475	2.117	10	30		DEEERP
C[NH+](C)CC1CC[NH+](Cc2ccc(C#CCCO)s2)CC1	ZINC000043679809	183378938	/nfs/dbraw/zinc/37/89/38/183378938.db2.gz	UZKKKDDULNSSAG-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000367598413	405099166	/nfs/dbraw/zinc/09/91/66/405099166.db2.gz	QVMXGNKTSSPPOF-KRWDZBQOSA-N	2	0	312.461	2.458	10	30		DEEERP
CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1	ZINC000134126083	684225241	/nfs/dbraw/zinc/22/52/41/684225241.db2.gz	WDRBHOQGFLPXSG-AWEZNQCLSA-N	2	0	308.495	2.173	10	30		DEEERP
C=CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1	ZINC000105477069	355720830	/nfs/dbraw/zinc/72/08/30/355720830.db2.gz	KDWAVSODRZEVSF-UHFFFAOYSA-N	2	0	317.477	2.369	10	30		DEEERP
CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358573104	147158916	/nfs/dbraw/zinc/15/89/16/147158916.db2.gz	QRHUFVHCXOYVOU-LSDHHAIUSA-N	2	0	318.440	2.374	10	30		DEEERP
C=CCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000158612045	402309377	/nfs/dbraw/zinc/30/93/77/402309377.db2.gz	YOIZSJQVEHNHCN-QGZVFWFLSA-N	2	0	303.450	2.304	10	30		DEEERP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C	ZINC000178322251	402484692	/nfs/dbraw/zinc/48/46/92/402484692.db2.gz	MEVBYFREHVARIH-DOTOQJQBSA-N	2	0	316.449	2.245	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1	ZINC000178711743	402528876	/nfs/dbraw/zinc/52/88/76/402528876.db2.gz	XCMPVUIYQVZAET-NVXWUHKLSA-N	2	0	322.497	2.009	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1	ZINC000178711724	402529063	/nfs/dbraw/zinc/52/90/63/402529063.db2.gz	XCMPVUIYQVZAET-WBVHZDCISA-N	2	0	322.497	2.009	10	30		DEEERP
CN(CC(=O)NCC1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000328634999	404120648	/nfs/dbraw/zinc/12/06/48/404120648.db2.gz	NAOVAYCNFKBYKF-WMZOPIPTSA-N	2	0	316.449	2.373	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000424297977	405061800	/nfs/dbraw/zinc/06/18/00/405061800.db2.gz	RRHQFNXASRJANB-FJIDUMEYSA-N	2	0	310.482	2.304	10	30		DEEERP
C=CCCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000448386912	527216431	/nfs/dbraw/zinc/21/64/31/527216431.db2.gz	NGQGKSHFBHOXMX-INIZCTEOSA-N	2	0	310.486	2.010	10	30		DEEERP
C[NH+](C)Cc1cccc(CNC(=[NH2+])NCCc2cccs2)c1	ZINC000303880471	639447961	/nfs/dbraw/zinc/44/79/61/639447961.db2.gz	HEWNIKVSVZBWNS-UHFFFAOYSA-N	2	0	316.474	2.457	10	30		DEEERP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2	ZINC000104192571	684059145	/nfs/dbraw/zinc/05/91/45/684059145.db2.gz	UUTAYXVKMSXQEL-QGZVFWFLSA-N	2	0	316.449	2.013	10	30		DEEERP
C[C@@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCC(C)CC1	ZINC000303902050	685238375	/nfs/dbraw/zinc/23/83/75/685238375.db2.gz	XOZSERGSMFEDQH-AWEZNQCLSA-N	2	0	308.495	2.315	10	30		DEEERP
C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000093148425	193208275	/nfs/dbraw/zinc/20/82/75/193208275.db2.gz	RVRCSVAJDXVRNM-QGZVFWFLSA-N	2	0	306.498	2.418	10	30		DEEERP
C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1F	ZINC000358598485	147163998	/nfs/dbraw/zinc/16/39/98/147163998.db2.gz	YMXKSPGZWKLUHF-ZDUSSCGKSA-N	2	0	305.397	2.195	10	30		DEEERP
COC1CC[NH+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)CC1	ZINC000262502192	225276627	/nfs/dbraw/zinc/27/66/27/225276627.db2.gz	AFNBUEDGMKUJKE-UHFFFAOYSA-N	2	0	310.486	2.113	10	30		DEEERP
C[C@@H]1CC[C@@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262475953	534197846	/nfs/dbraw/zinc/19/78/46/534197846.db2.gz	CCYLEAOFTOWYBB-PBHICJAKSA-N	2	0	300.450	2.354	10	30		DEEERP
CC(C)NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262479367	528967389	/nfs/dbraw/zinc/96/73/89/528967389.db2.gz	QZXAALCNTRSPBP-UHFFFAOYSA-N	2	0	306.376	2.104	10	30		DEEERP
CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716626553	792980537	/nfs/dbraw/zinc/98/05/37/792980537.db2.gz	OQCHKACSFYWFFP-NMLBUPMWSA-N	2	0	312.457	2.403	10	30		DEEERP
CCc1cnc(CNC(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)=[NH+]C)s1	ZINC000262004623	529646474	/nfs/dbraw/zinc/64/64/74/529646474.db2.gz	VHWQZFYWGVEBQX-TZMCWYRMSA-N	2	0	323.510	2.099	10	30		DEEERP
C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000110649965	194345886	/nfs/dbraw/zinc/34/58/86/194345886.db2.gz	NSXGBWFJYJOIMJ-NSHDSACASA-N	2	0	306.435	2.008	10	30		DEEERP
C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C#N)cc1F	ZINC000358592136	147162122	/nfs/dbraw/zinc/16/21/22/147162122.db2.gz	PODXZDWUXRCJEJ-OAHLLOKOSA-N	2	0	318.440	2.376	10	30		DEEERP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21	ZINC000304470968	403793632	/nfs/dbraw/zinc/79/36/32/403793632.db2.gz	DTIPMVXMAJWTJX-HIFRSBDPSA-N	2	0	304.438	2.145	10	30		DEEERP
C[N@H+](CCNC(=[NH2+])NCCc1ccccc1)C1CCCCC1	ZINC000303904207	685240079	/nfs/dbraw/zinc/24/00/79/685240079.db2.gz	UVEKXUIVOXPRRT-UHFFFAOYSA-N	2	0	302.466	2.398	10	30		DEEERP
C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+](C)Cc1ccccc1	ZINC000594437119	358270193	/nfs/dbraw/zinc/27/01/93/358270193.db2.gz	IFUFOEBZCXGJFE-NVXWUHKLSA-N	2	0	316.449	2.034	10	30		DEEERP
C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594447523	358274317	/nfs/dbraw/zinc/27/43/17/358274317.db2.gz	YCBLUCBBRNGHBU-RDJZCZTQSA-N	2	0	316.449	2.034	10	30		DEEERP
C[N@@H+](Cc1sccc1C#CCCO)CC1CC[NH+](C)CC1	ZINC000063121469	184271589	/nfs/dbraw/zinc/27/15/89/184271589.db2.gz	OAMXVECNSNQXMP-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCSC(C)(C)C1	ZINC000159052585	197322983	/nfs/dbraw/zinc/32/29/83/197322983.db2.gz	VKSSDDRJJAPYCA-UHFFFAOYSA-N	2	0	304.459	2.333	10	30		DEEERP
CC[C@H]1C[N@H+](Cc2cc(OC)ccc2C#CC[NH3+])CCS1	ZINC000158019397	197235758	/nfs/dbraw/zinc/23/57/58/197235758.db2.gz	YHTMDHRWEWQGGK-KRWDZBQOSA-N	2	0	304.459	2.333	10	30		DEEERP
Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000252744128	145201099	/nfs/dbraw/zinc/20/10/99/145201099.db2.gz	VUTPIEIBMRLCAO-SJLPKXTDSA-N	2	0	324.428	2.280	10	30		DEEERP
[NH2+]=C(NCCc1cccs1)NC1CC([NH+]2CCCCC2)C1	ZINC000262431008	225272224	/nfs/dbraw/zinc/27/22/24/225272224.db2.gz	DZLPHFSMDZPDRI-UHFFFAOYSA-N	2	0	306.479	2.212	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1	ZINC000246549564	341353515	/nfs/dbraw/zinc/35/35/15/341353515.db2.gz	XCMPVUIYQVZAET-DOTOQJQBSA-N	2	0	322.497	2.009	10	30		DEEERP
C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261656793	526353301	/nfs/dbraw/zinc/35/33/01/526353301.db2.gz	AEKJVFDKQMLQIE-UKRRQHHQSA-N	2	0	312.527	2.023	10	30		DEEERP
C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261662430	526382305	/nfs/dbraw/zinc/38/23/05/526382305.db2.gz	AVUVUPNYPYHIBM-IUODEOHRSA-N	2	0	308.495	2.450	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1	ZINC000341429590	526432456	/nfs/dbraw/zinc/43/24/56/526432456.db2.gz	HQBFKJRCOYIFRS-HOTGVXAUSA-N	2	0	322.497	2.199	10	30		DEEERP
CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358573102	535731110	/nfs/dbraw/zinc/73/11/10/535731110.db2.gz	QRHUFVHCXOYVOU-GJZGRUSLSA-N	2	0	318.440	2.374	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(F)cc1F	ZINC000304747331	685259135	/nfs/dbraw/zinc/25/91/35/685259135.db2.gz	GGUJEHDMGHMGJU-GXTWGEPZSA-N	2	0	324.419	2.457	10	30		DEEERP
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1	ZINC000104169702	684058754	/nfs/dbraw/zinc/05/87/54/684058754.db2.gz	KXBQBWWRFBVIGH-MRXNPFEDSA-N	2	0	312.502	2.218	10	30		DEEERP
Cc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000303779403	685234401	/nfs/dbraw/zinc/23/44/01/685234401.db2.gz	KNJYZEIFYFDTMU-GJZGRUSLSA-N	2	0	304.438	2.221	10	30		DEEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(F)cc2)CC1	ZINC000159934933	197374897	/nfs/dbraw/zinc/37/48/97/197374897.db2.gz	NRHRBLNHOAFGBG-MRXNPFEDSA-N	2	0	318.436	2.202	10	30		DEEERP
CC[C@@H]1C[N@H+](CCOc2cccc(C#CC[NH3+])c2)CCS1	ZINC000158020483	197236219	/nfs/dbraw/zinc/23/62/19/197236219.db2.gz	ILWMAWIXQIRWPX-QGZVFWFLSA-N	2	0	304.459	2.203	10	30		DEEERP
C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1F	ZINC000543761981	285317230	/nfs/dbraw/zinc/31/72/30/285317230.db2.gz	BUPROVWOYCCKPJ-OAHLLOKOSA-N	2	0	318.440	2.376	10	30		DEEERP
C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1F	ZINC000358598480	147163751	/nfs/dbraw/zinc/16/37/51/147163751.db2.gz	YMXKSPGZWKLUHF-CYBMUJFWSA-N	2	0	305.397	2.195	10	30		DEEERP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000304470970	403794306	/nfs/dbraw/zinc/79/43/06/403794306.db2.gz	DTIPMVXMAJWTJX-UKRRQHHQSA-N	2	0	304.438	2.145	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C	ZINC000573384307	406773350	/nfs/dbraw/zinc/77/33/50/406773350.db2.gz	VRSZBRPJMQPPIA-IRXDYDNUSA-N	2	0	307.482	2.143	10	30		DEEERP
C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1CCC[N@@H+]1C	ZINC000262423916	526380561	/nfs/dbraw/zinc/38/05/61/526380561.db2.gz	BYELLIBZZZMQKZ-AWEZNQCLSA-N	2	0	324.469	2.307	10	30		DEEERP
C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1F	ZINC000442871813	238088635	/nfs/dbraw/zinc/08/86/35/238088635.db2.gz	GYLZHLSVCUVWPC-AWEZNQCLSA-N	2	0	318.440	2.374	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C	ZINC000635558678	406589196	/nfs/dbraw/zinc/58/91/96/406589196.db2.gz	CNAMUNOHIXUPDU-IRXDYDNUSA-N	2	0	307.482	2.143	10	30		DEEERP
C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261656791	526352698	/nfs/dbraw/zinc/35/26/98/526352698.db2.gz	AEKJVFDKQMLQIE-DZGCQCFKSA-N	2	0	312.527	2.023	10	30		DEEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1cccc(Cl)c1	ZINC000114087135	651894452	/nfs/dbraw/zinc/89/44/52/651894452.db2.gz	DGMZKBAONKEVNG-OAHLLOKOSA-N	2	0	308.857	2.441	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)C(C)C	ZINC000626937136	366368558	/nfs/dbraw/zinc/36/85/58/366368558.db2.gz	ONVPKPBCSWJBNM-BBWFWOEESA-N	2	0	322.497	2.125	10	30		DEEERP
C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+](C)Cc1ccccc1	ZINC000594437121	358270348	/nfs/dbraw/zinc/27/03/48/358270348.db2.gz	IFUFOEBZCXGJFE-WBVHZDCISA-N	2	0	316.449	2.034	10	30		DEEERP
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594447524	358274021	/nfs/dbraw/zinc/27/40/21/358274021.db2.gz	YCBLUCBBRNGHBU-WBVHZDCISA-N	2	0	316.449	2.034	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1	ZINC000247391993	526594585	/nfs/dbraw/zinc/59/45/85/526594585.db2.gz	QMUAHUKQKPLNRX-NVXWUHKLSA-N	2	0	322.497	2.055	10	30		DEEERP
CC[NH+]=C(NCc1ccc(C)nc1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262012674	528816832	/nfs/dbraw/zinc/81/68/32/528816832.db2.gz	XAAYOCYJVYHIGF-RHSMWYFYSA-N	2	0	317.481	2.174	10	30		DEEERP
CC[NH+]=C(NCc1ccoc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000263126728	528818768	/nfs/dbraw/zinc/81/87/68/528818768.db2.gz	FUEQNNKEUIVUDE-OAHLLOKOSA-N	2	0	304.438	2.352	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(SC)cc1	ZINC000303903649	685239813	/nfs/dbraw/zinc/23/98/13/685239813.db2.gz	YMMRFCOEIWVRKN-AWEZNQCLSA-N	2	0	306.479	2.297	10	30		DEEERP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1	ZINC000303990677	685242951	/nfs/dbraw/zinc/24/29/51/685242951.db2.gz	YYECVZJTTOELCG-INIZCTEOSA-N	2	0	304.438	2.141	10	30		DEEERP
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#CC[NH3+])s1	ZINC000094440986	193370439	/nfs/dbraw/zinc/37/04/39/193370439.db2.gz	YXLHONSWMXJDNB-HUUCEWRRSA-N	2	0	303.475	2.117	10	30		DEEERP
C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1F	ZINC000358566011	147157545	/nfs/dbraw/zinc/15/75/45/147157545.db2.gz	IAZYYEHSXDOYNP-CQSZACIVSA-N	2	0	318.440	2.374	10	30		DEEERP
C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000362298470	403941323	/nfs/dbraw/zinc/94/13/23/403941323.db2.gz	BBDZQASMGARBGN-DLBZAZTESA-N	2	0	309.498	2.463	10	30		DEEERP
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCn3cc(C)nc32)C1	ZINC000328640338	404121936	/nfs/dbraw/zinc/12/19/36/404121936.db2.gz	CMHLWKMNSRGVFD-CABCVRRESA-N	2	0	319.453	2.057	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C	ZINC000635558679	406589607	/nfs/dbraw/zinc/58/96/07/406589607.db2.gz	CNAMUNOHIXUPDU-SJORKVTESA-N	2	0	307.482	2.143	10	30		DEEERP
N#Cc1ccc(N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)cc1Cl	ZINC000130845242	196115566	/nfs/dbraw/zinc/11/55/66/196115566.db2.gz	QRWRBFVKVDJVPS-HNNXBMFYSA-N	2	0	304.825	2.213	10	30		DEEERP
C=CCCCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000193336603	527134194	/nfs/dbraw/zinc/13/41/94/527134194.db2.gz	JTUVXZHGMUNMJR-IBGZPJMESA-N	2	0	323.525	2.460	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1COc2cccc(Cl)c21	ZINC000262283085	529101175	/nfs/dbraw/zinc/10/11/75/529101175.db2.gz	LNUJSTAWTKDESP-WCQYABFASA-N	2	0	322.840	2.162	10	30		DEEERP
C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000262005287	636994012	/nfs/dbraw/zinc/99/40/12/636994012.db2.gz	VLXWAEHXPUTXNL-YALNPMBYSA-N	2	0	300.450	2.223	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](CC)CC)CC1	ZINC000106331442	194198225	/nfs/dbraw/zinc/19/82/25/194198225.db2.gz	SUGACCHBIYGPEN-HNNXBMFYSA-N	2	0	310.486	2.056	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1	ZINC000106332805	194198255	/nfs/dbraw/zinc/19/82/55/194198255.db2.gz	IWSCOXZXTZJIMR-KRWDZBQOSA-N	2	0	324.513	2.302	10	30		DEEERP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C	ZINC000178322232	402484791	/nfs/dbraw/zinc/48/47/91/402484791.db2.gz	MEVBYFREHVARIH-RDJZCZTQSA-N	2	0	316.449	2.245	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C	ZINC000170830327	402530164	/nfs/dbraw/zinc/53/01/64/402530164.db2.gz	TYMGCXCDXWQSSP-SJORKVTESA-N	2	0	322.497	2.031	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1	ZINC000246549579	402535981	/nfs/dbraw/zinc/53/59/81/402535981.db2.gz	XCMPVUIYQVZAET-RDJZCZTQSA-N	2	0	322.497	2.009	10	30		DEEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)c(F)c2)CC1	ZINC000192003465	402704049	/nfs/dbraw/zinc/70/40/49/402704049.db2.gz	VASGOPUCKLORRF-AWEZNQCLSA-N	2	0	319.424	2.222	10	30		DEEERP
CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)nc32)C1	ZINC000328640341	404122665	/nfs/dbraw/zinc/12/26/65/404122665.db2.gz	CMHLWKMNSRGVFD-GJZGRUSLSA-N	2	0	319.453	2.057	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000424383532	405078647	/nfs/dbraw/zinc/07/86/47/405078647.db2.gz	UHVMEYRINYQIIX-RUENVJTFSA-N	2	0	314.429	2.423	10	30		DEEERP
[NH2+]=C(NC1CCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000263026434	225290193	/nfs/dbraw/zinc/29/01/93/225290193.db2.gz	ARYWGLNESSCSPX-UHFFFAOYSA-N	2	0	318.387	2.249	10	30		DEEERP
CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358554365	535698217	/nfs/dbraw/zinc/69/82/17/535698217.db2.gz	JZCAUOMVNFPGEZ-HNNXBMFYSA-N	2	0	318.440	2.376	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C2CC2)cc1	ZINC000191161016	684422189	/nfs/dbraw/zinc/42/21/89/684422189.db2.gz	HYIKSRJOOMNRRN-KRWDZBQOSA-N	2	0	300.450	2.453	10	30		DEEERP
Cc1nccn1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000329147634	539915098	/nfs/dbraw/zinc/91/50/98/539915098.db2.gz	AYENDIANXCJUAP-MRXNPFEDSA-N	2	0	319.453	2.056	10	30		DEEERP
C#CCOc1ccc(Br)cc1C[NH2+]CCCC[NH3+]	ZINC000041652847	183213365	/nfs/dbraw/zinc/21/33/65/183213365.db2.gz	OQGUNSQCZYGUEH-UHFFFAOYSA-N	2	0	311.223	2.290	10	30		DEEERP
C[NH+](C)Cc1cccc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)c1	ZINC000071775893	402277550	/nfs/dbraw/zinc/27/75/50/402277550.db2.gz	NHGJGXWGQAYCAK-AWEZNQCLSA-N	2	0	321.428	2.080	10	30		DEEERP
N#Cc1ccc([C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000171139487	402561110	/nfs/dbraw/zinc/56/11/10/402561110.db2.gz	OETZSMAIEKNAQV-LJQANCHMSA-N	2	0	313.445	2.399	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000424297981	405061349	/nfs/dbraw/zinc/06/13/49/405061349.db2.gz	RRHQFNXASRJANB-XDNAFOTISA-N	2	0	310.482	2.304	10	30		DEEERP
COc1ccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1	ZINC000262474067	533987360	/nfs/dbraw/zinc/98/73/60/533987360.db2.gz	PPHZQEXIVXAQNU-UHFFFAOYSA-N	2	0	302.422	2.439	10	30		DEEERP
CC(C)(C)NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262451654	526283585	/nfs/dbraw/zinc/28/35/85/526283585.db2.gz	JZTZMFTWVAJEML-UHFFFAOYSA-N	2	0	320.403	2.495	10	30		DEEERP
C[NH+]=C(NCc1cccs1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262844806	526386436	/nfs/dbraw/zinc/38/64/36/526386436.db2.gz	YDRHKKQTLFKNMF-CYBMUJFWSA-N	2	0	306.479	2.430	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1	ZINC000247391983	526593140	/nfs/dbraw/zinc/59/31/40/526593140.db2.gz	QMUAHUKQKPLNRX-DOTOQJQBSA-N	2	0	322.497	2.055	10	30		DEEERP
C=CCCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000448386913	527215833	/nfs/dbraw/zinc/21/58/33/527215833.db2.gz	NGQGKSHFBHOXMX-MRXNPFEDSA-N	2	0	310.486	2.010	10	30		DEEERP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000194734779	527632429	/nfs/dbraw/zinc/63/24/29/527632429.db2.gz	JQYJTEGGCVKUEQ-KRWDZBQOSA-N	2	0	319.493	2.383	10	30		DEEERP
CC1(C)C[N@H+](CCOc2cccc(C#CC[NH3+])c2)CCS1	ZINC000159051336	197322806	/nfs/dbraw/zinc/32/28/06/197322806.db2.gz	OLMHTPGAXOZTAF-UHFFFAOYSA-N	2	0	304.459	2.203	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000424383533	405079149	/nfs/dbraw/zinc/07/91/49/405079149.db2.gz	UHVMEYRINYQIIX-XPYUAMARSA-N	2	0	314.429	2.423	10	30		DEEERP
CC[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158213424	625266244	/nfs/dbraw/zinc/26/62/44/625266244.db2.gz	KTRDVYLPDCFBCR-GXTWGEPZSA-N	2	0	323.510	2.235	10	30		DEEERP
CCC[NH+]1CCC(CNC(=[NH2+])NCCc2ccccc2)CC1	ZINC000303881069	685238059	/nfs/dbraw/zinc/23/80/59/685238059.db2.gz	KOWWHKJNACBKNV-UHFFFAOYSA-N	2	0	302.466	2.255	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1	ZINC000174770318	356007589	/nfs/dbraw/zinc/00/75/89/356007589.db2.gz	RYFMWPZVGBINQT-WBVHZDCISA-N	2	0	322.497	2.151	10	30		DEEERP
Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C#N)c(C)n1	ZINC000328615585	356460852	/nfs/dbraw/zinc/46/08/52/356460852.db2.gz	AXOGAVPUKSUDSV-LPHOPBHVSA-N	2	0	321.428	2.492	10	30		DEEERP
C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000093148421	193208400	/nfs/dbraw/zinc/20/84/00/193208400.db2.gz	RVRCSVAJDXVRNM-KRWDZBQOSA-N	2	0	306.498	2.418	10	30		DEEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccccc2)CC1	ZINC000192003337	533663151	/nfs/dbraw/zinc/66/31/51/533663151.db2.gz	PKWMNDKBORTXHL-QGZVFWFLSA-N	2	0	300.446	2.063	10	30		DEEERP
N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1	ZINC000180795315	402626568	/nfs/dbraw/zinc/62/65/68/402626568.db2.gz	BGDNKNUETLTWED-UHFFFAOYSA-N	2	0	317.433	2.476	10	30		DEEERP
C=CCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1	ZINC000349850161	404226244	/nfs/dbraw/zinc/22/62/44/404226244.db2.gz	LJFOEVCYMIGPNS-QGZVFWFLSA-N	2	0	317.477	2.367	10	30		DEEERP
C=C(C)CN1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1	ZINC000638524400	405526596	/nfs/dbraw/zinc/52/65/96/405526596.db2.gz	NFSJKGSOUUIXHN-UHFFFAOYSA-N	2	0	311.376	2.374	10	30		DEEERP
C=CCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1	ZINC000441363512	526885726	/nfs/dbraw/zinc/88/57/26/526885726.db2.gz	ZVZALDYNXNPMKR-UHFFFAOYSA-N	2	0	317.477	2.367	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C	ZINC000352606984	1138315155	/nfs/dbraw/zinc/31/51/55/1138315155.db2.gz	NISUHGJPLIAGBU-QGZVFWFLSA-N	2	0	319.493	2.430	10	30		DEEERP
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1	ZINC000070188546	190869955	/nfs/dbraw/zinc/86/99/55/190869955.db2.gz	KODMKIRILATPOT-UHFFFAOYSA-N	2	0	306.435	2.009	10	30		DEEERP
[NH3+]CC#Cc1ccsc1CN1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000062982327	184264266	/nfs/dbraw/zinc/26/42/66/184264266.db2.gz	RAVNHBHWTRMXTM-MRXNPFEDSA-N	2	0	303.475	2.119	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1	ZINC000119949325	195068767	/nfs/dbraw/zinc/06/87/67/195068767.db2.gz	QMUAHUKQKPLNRX-RDJZCZTQSA-N	2	0	322.497	2.055	10	30		DEEERP
CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cccc(C)c2)CC1	ZINC000303884188	685237846	/nfs/dbraw/zinc/23/78/46/685237846.db2.gz	IZHNPCXWZNFSKK-UHFFFAOYSA-N	2	0	317.481	2.139	10	30		DEEERP
COc1ccc(C#CC[NH3+])c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1	ZINC000087795001	185232150	/nfs/dbraw/zinc/23/21/50/185232150.db2.gz	JCYIBQYOFOHMQY-ZIAGYGMSSA-N	2	0	304.459	2.331	10	30		DEEERP
CN(C(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1	ZINC000262476285	225273323	/nfs/dbraw/zinc/27/33/23/225273323.db2.gz	QETWEUAGHCRILK-UHFFFAOYSA-N	2	0	318.387	2.201	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261650076	526371678	/nfs/dbraw/zinc/37/16/78/526371678.db2.gz	FBBSXXMBZHINDN-HRCADAONSA-N	2	0	304.482	2.168	10	30		DEEERP
CC[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261687849	528813190	/nfs/dbraw/zinc/81/31/90/528813190.db2.gz	ICTDIZWTURLAPN-YESZJQIVSA-N	2	0	306.498	2.414	10	30		DEEERP
C[NH+]=C(NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)NC1CC1	ZINC000153558024	625931825	/nfs/dbraw/zinc/93/18/25/625931825.db2.gz	IBBZXZYTBLHELX-SFHVURJKSA-N	2	0	300.450	2.369	10	30		DEEERP
CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000303259109	639407079	/nfs/dbraw/zinc/40/70/79/639407079.db2.gz	LRJHVPCOMKCFMX-KRWDZBQOSA-N	2	0	318.465	2.112	10	30		DEEERP
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158229114	646597605	/nfs/dbraw/zinc/59/76/05/646597605.db2.gz	JXRDXEMCAZMAOS-SMDDNHRTSA-N	2	0	323.510	2.154	10	30		DEEERP
CC#CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716626549	792980795	/nfs/dbraw/zinc/98/07/95/792980795.db2.gz	OQCHKACSFYWFFP-MUGJNUQGSA-N	2	0	312.457	2.403	10	30		DEEERP
C[C@H]1C[NH+](CCOc2ccc(C#CC[NH3+])cc2)C[C@H](C)S1	ZINC000070384846	190883584	/nfs/dbraw/zinc/88/35/84/190883584.db2.gz	SRZTUZLXRCDVTK-GJZGRUSLSA-N	2	0	304.459	2.201	10	30		DEEERP
Cc1nccn1CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000329147632	539915086	/nfs/dbraw/zinc/91/50/86/539915086.db2.gz	AYENDIANXCJUAP-INIZCTEOSA-N	2	0	319.453	2.056	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C	ZINC000618555080	363526055	/nfs/dbraw/zinc/52/60/55/363526055.db2.gz	HBYOGMKDFUJYRA-IAGOWNOFSA-N	2	0	322.497	2.078	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C	ZINC000618555082	363526296	/nfs/dbraw/zinc/52/62/96/363526296.db2.gz	HBYOGMKDFUJYRA-SJORKVTESA-N	2	0	322.497	2.078	10	30		DEEERP
C=C(C[NH2+]C)C[NH2+]CCCCCCCC[NH2+]CC(=C)C[NH2+]C	ZINC000013650062	181873735	/nfs/dbraw/zinc/87/37/35/181873735.db2.gz	RYIYFRLHSQMREB-UHFFFAOYSA-N	4	0	310.530	2.057	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C	ZINC000635558677	406589636	/nfs/dbraw/zinc/58/96/36/406589636.db2.gz	CNAMUNOHIXUPDU-IAGOWNOFSA-N	2	0	307.482	2.143	10	30		DEEERP
C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262010655	526393403	/nfs/dbraw/zinc/39/34/03/526393403.db2.gz	WOCGIDOCMATEPP-BXUZGUMPSA-N	2	0	323.510	2.154	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1COc2cccc(Cl)c21	ZINC000262283082	529074489	/nfs/dbraw/zinc/07/44/89/529074489.db2.gz	LNUJSTAWTKDESP-DGCLKSJQSA-N	2	0	322.840	2.162	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)Nc2ccc3nc(C)cn3c2)CC1	ZINC000738919847	625716759	/nfs/dbraw/zinc/71/67/59/625716759.db2.gz	LQRQRYQRNBCMDL-UHFFFAOYSA-N	2	0	313.405	2.415	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(F)cc1F	ZINC000304747333	685259281	/nfs/dbraw/zinc/25/92/81/685259281.db2.gz	GGUJEHDMGHMGJU-JSGCOSHPSA-N	2	0	324.419	2.457	10	30		DEEERP
C=CCOc1ccccc1C[NH2+]CC1(COC)CC[NH2+]CC1	ZINC000414959509	404776154	/nfs/dbraw/zinc/77/61/54/404776154.db2.gz	SGYHPCQLWMJICE-UHFFFAOYSA-N	2	0	304.434	2.357	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C	ZINC000635558676	406589532	/nfs/dbraw/zinc/58/95/32/406589532.db2.gz	CNAMUNOHIXUPDU-DLBZAZTESA-N	2	0	307.482	2.143	10	30		DEEERP
[NH2+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@H]1CCCO1	ZINC000262822958	225286110	/nfs/dbraw/zinc/28/61/10/225286110.db2.gz	YWXQHAPVMSAPDA-MRXNPFEDSA-N	2	0	322.497	2.116	10	30		DEEERP
C[NH+]=C(NCC1CCSCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000086913850	637002776	/nfs/dbraw/zinc/00/27/76/637002776.db2.gz	ZHMYOWTUFMWUSS-MQVJKMGUSA-N	2	0	324.538	2.310	10	30		DEEERP
C[NH+](C)CCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000092381074	185315047	/nfs/dbraw/zinc/31/50/47/185315047.db2.gz	WRHYYNBFHHRTAT-UHFFFAOYSA-N	2	0	311.433	2.370	10	30		DEEERP
C=CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000625704658	365876407	/nfs/dbraw/zinc/87/64/07/365876407.db2.gz	ZMDHRUPINAEQEY-WMZOPIPTSA-N	2	0	315.461	2.304	10	30		DEEERP
C=CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000625704655	365876544	/nfs/dbraw/zinc/87/65/44/365876544.db2.gz	ZMDHRUPINAEQEY-AEFFLSMTSA-N	2	0	315.461	2.304	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C	ZINC000626936361	366367529	/nfs/dbraw/zinc/36/75/29/366367529.db2.gz	IYHXQHMYKYIYLY-IXDOHACOSA-N	2	0	322.497	2.125	10	30		DEEERP
CC[N@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)C[NH3+]	ZINC000093891476	193324213	/nfs/dbraw/zinc/32/42/13/193324213.db2.gz	GDSYCIPHIGSPAL-UHFFFAOYSA-N	2	0	308.451	2.255	10	30		DEEERP
C[NH+](C)CC1CC[NH+](Cc2cc(C#CCCO)cs2)CC1	ZINC000043698643	183381771	/nfs/dbraw/zinc/38/17/71/183381771.db2.gz	YBJLBMHUKQTEQZ-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1	ZINC000133759912	196334781	/nfs/dbraw/zinc/33/47/81/196334781.db2.gz	OIDLSHRWMWRXCT-CABCVRRESA-N	2	0	304.459	2.201	10	30		DEEERP
CC[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261687845	280841308	/nfs/dbraw/zinc/84/13/08/280841308.db2.gz	ICTDIZWTURLAPN-IXDOHACOSA-N	2	0	306.498	2.414	10	30		DEEERP
COc1ccc(C#CC[NH3+])c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1	ZINC000087794997	185232066	/nfs/dbraw/zinc/23/20/66/185232066.db2.gz	JCYIBQYOFOHMQY-OKILXGFUSA-N	2	0	304.459	2.331	10	30		DEEERP
C[N@H+](CCOc1cccc(C#CC[NH3+])c1)CCC(F)(F)F	ZINC000088433433	185249830	/nfs/dbraw/zinc/24/98/30/185249830.db2.gz	NTYAECVCISBAHU-UHFFFAOYSA-N	2	0	300.324	2.260	10	30		DEEERP
C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000083031542	355462519	/nfs/dbraw/zinc/46/25/19/355462519.db2.gz	DOOVLXLIMSAZKR-GDBMZVCRSA-N	2	0	316.449	2.289	10	30		DEEERP
C=CCNC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1	ZINC000578866212	356884211	/nfs/dbraw/zinc/88/42/11/356884211.db2.gz	LRIQZHFPTCSXEH-KRWDZBQOSA-N	2	0	313.445	2.075	10	30		DEEERP
CC[C@@H]1C[N@H+](Cc2cc(C#CC[NH3+])ccc2OC)CCS1	ZINC000158022975	197236235	/nfs/dbraw/zinc/23/62/35/197236235.db2.gz	RLXDYVLNAPJCEM-MRXNPFEDSA-N	2	0	304.459	2.333	10	30		DEEERP
CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000367598414	405098944	/nfs/dbraw/zinc/09/89/44/405098944.db2.gz	QVMXGNKTSSPPOF-QGZVFWFLSA-N	2	0	312.461	2.458	10	30		DEEERP
C[C@@H]1CC[C@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262475955	534261913	/nfs/dbraw/zinc/26/19/13/534261913.db2.gz	CCYLEAOFTOWYBB-RHSMWYFYSA-N	2	0	300.450	2.354	10	30		DEEERP
CCC[NH+]1CCC(CNC(=[NH2+])NCc2ccccc2OC)CC1	ZINC000170909687	646674959	/nfs/dbraw/zinc/67/49/59/646674959.db2.gz	PILRSBKHHPKBNC-UHFFFAOYSA-N	2	0	318.465	2.222	10	30		DEEERP
CN1CCC[NH+]=C1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000263211799	530054169	/nfs/dbraw/zinc/05/41/69/530054169.db2.gz	ZCQPPTDIMFZDQO-GOSISDBHSA-N	2	0	300.450	2.322	10	30		DEEERP
CC[C@H]1C[N@H+](Cc2cc(C#CC[NH3+])ccc2OC)CCS1	ZINC000158023122	197236382	/nfs/dbraw/zinc/23/63/82/197236382.db2.gz	RLXDYVLNAPJCEM-INIZCTEOSA-N	2	0	304.459	2.333	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1	ZINC000179219115	402582102	/nfs/dbraw/zinc/58/21/02/402582102.db2.gz	JJYHZMYWIHXBGI-QGZVFWFLSA-N	2	0	322.497	2.056	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C	ZINC000195129141	402832893	/nfs/dbraw/zinc/83/28/93/402832893.db2.gz	QOBUOGSECGHOQA-DLBZAZTESA-N	2	0	322.497	2.078	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1	ZINC000417536236	526588452	/nfs/dbraw/zinc/58/84/52/526588452.db2.gz	JVCBAFTXEVDPQB-UHFFFAOYSA-N	2	0	322.497	2.378	10	30		DEEERP
COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)c1	ZINC000104168177	624782746	/nfs/dbraw/zinc/78/27/46/624782746.db2.gz	QBNJHUQAECRCJL-CYBMUJFWSA-N	2	0	320.437	2.305	10	30		DEEERP
CC1CC[NH+](CCCNC(=[NH2+])NCCc2cccs2)CC1	ZINC000303786980	685235814	/nfs/dbraw/zinc/23/58/14/685235814.db2.gz	RXJAYZGYPIMAQX-UHFFFAOYSA-N	2	0	308.495	2.317	10	30		DEEERP
C=CC[N@@H+]1CCO[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]2C1	ZINC000248005784	257112349	/nfs/dbraw/zinc/11/23/49/257112349.db2.gz	PPTYRGKPTLCNSA-OALUTQOASA-N	2	0	311.429	2.267	10	30		DEEERP
C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1F	ZINC000358566006	147157584	/nfs/dbraw/zinc/15/75/84/147157584.db2.gz	IAZYYEHSXDOYNP-AWEZNQCLSA-N	2	0	318.440	2.374	10	30		DEEERP
C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CN1CC[NH+](C)CC1	ZINC000358576615	147159313	/nfs/dbraw/zinc/15/93/13/147159313.db2.gz	UNCNYTMVQGPZID-HUUCEWRRSA-N	2	0	318.440	2.231	10	30		DEEERP
C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000071124095	402269714	/nfs/dbraw/zinc/26/97/14/402269714.db2.gz	CQBKKYJURRYOFV-MRXNPFEDSA-N	2	0	315.461	2.453	10	30		DEEERP
COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C	ZINC000133766622	196335797	/nfs/dbraw/zinc/33/57/97/196335797.db2.gz	FHOKEKFEACNJOK-KBPBESRZSA-N	2	0	304.459	2.331	10	30		DEEERP
CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1	ZINC000303896032	685239140	/nfs/dbraw/zinc/23/91/40/685239140.db2.gz	UDMDECUQGGMSPR-AWEZNQCLSA-N	2	0	308.495	2.315	10	30		DEEERP
CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158245021	624880666	/nfs/dbraw/zinc/88/06/66/624880666.db2.gz	PXLPCHNXESJLNL-BLLLJJGKSA-N	2	0	321.469	2.075	10	30		DEEERP
CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC2CC2)CC1	ZINC000066243198	625057468	/nfs/dbraw/zinc/05/74/68/625057468.db2.gz	LVDQDTNMTOAEPD-UHFFFAOYSA-N	2	0	300.450	2.485	10	30		DEEERP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C	ZINC000104192541	684059356	/nfs/dbraw/zinc/05/93/56/684059356.db2.gz	PBHFOKFCYYFWME-HZPDHXFCSA-N	2	0	312.502	2.216	10	30		DEEERP
C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1F	ZINC000358565636	147157577	/nfs/dbraw/zinc/15/75/77/147157577.db2.gz	HTCQKMUDVYVJPF-AWEZNQCLSA-N	2	0	318.440	2.374	10	30		DEEERP
C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000071124093	402269574	/nfs/dbraw/zinc/26/95/74/402269574.db2.gz	CQBKKYJURRYOFV-INIZCTEOSA-N	2	0	315.461	2.453	10	30		DEEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)c(F)c2)CC1	ZINC000192003473	402704310	/nfs/dbraw/zinc/70/43/10/402704310.db2.gz	VASGOPUCKLORRF-CQSZACIVSA-N	2	0	319.424	2.222	10	30		DEEERP
CC[N@@H+]1CCC[C@H]1CN(C)C(NCC1CCSCC1)=[NH+]C	ZINC000262775242	276375912	/nfs/dbraw/zinc/37/59/12/276375912.db2.gz	JTNADPJRXSJVAB-HNNXBMFYSA-N	2	0	312.527	2.121	10	30		DEEERP
C=C(C)CNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262482158	526574641	/nfs/dbraw/zinc/57/46/41/526574641.db2.gz	RTILSNXZHSIMHD-UHFFFAOYSA-N	2	0	318.387	2.272	10	30		DEEERP
COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1	ZINC000303776253	685234727	/nfs/dbraw/zinc/23/47/27/685234727.db2.gz	HTQLMHLNQYTKHX-HNNXBMFYSA-N	2	0	318.465	2.112	10	30		DEEERP
C[NH+](C)CCOc1cccc(CNC(=[NH2+])NC2CCCCC2)c1	ZINC000303902447	685239911	/nfs/dbraw/zinc/23/99/11/685239911.db2.gz	UALUZKGKWFIRST-UHFFFAOYSA-N	2	0	318.465	2.364	10	30		DEEERP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C	ZINC000352606983	1138315149	/nfs/dbraw/zinc/31/51/49/1138315149.db2.gz	NISUHGJPLIAGBU-KRWDZBQOSA-N	2	0	319.493	2.430	10	30		DEEERP
C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+](C)Cc1ccccc1	ZINC000594437118	358270220	/nfs/dbraw/zinc/27/02/20/358270220.db2.gz	IFUFOEBZCXGJFE-DOTOQJQBSA-N	2	0	316.449	2.034	10	30		DEEERP
N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1	ZINC000093735003	402019274	/nfs/dbraw/zinc/01/92/74/402019274.db2.gz	DERWCMVFLKRVEO-UHFFFAOYSA-N	2	0	303.406	2.228	10	30		DEEERP
C[C@H]1CC[C@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262475956	533769140	/nfs/dbraw/zinc/76/91/40/533769140.db2.gz	CCYLEAOFTOWYBB-WMLDXEAASA-N	2	0	300.450	2.354	10	30		DEEERP
[NH2+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000066242527	625056899	/nfs/dbraw/zinc/05/68/99/625056899.db2.gz	FYAAZIAFUOMEFW-MRXNPFEDSA-N	2	0	322.497	2.259	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1	ZINC000341429592	526432212	/nfs/dbraw/zinc/43/22/12/526432212.db2.gz	HQBFKJRCOYIFRS-HZPDHXFCSA-N	2	0	322.497	2.199	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1	ZINC000304765035	685260866	/nfs/dbraw/zinc/26/08/66/685260866.db2.gz	YSXSGLJMLZGNEQ-BRWVUGGUSA-N	2	0	300.450	2.179	10	30		DEEERP
C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594447521	358274408	/nfs/dbraw/zinc/27/44/08/358274408.db2.gz	YCBLUCBBRNGHBU-DOTOQJQBSA-N	2	0	316.449	2.034	10	30		DEEERP
[NH3+]CC#Cc1csc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1	ZINC000062982322	184264147	/nfs/dbraw/zinc/26/41/47/184264147.db2.gz	HGJCWRMVGOALGW-INIZCTEOSA-N	2	0	303.475	2.119	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1	ZINC000178674598	402524774	/nfs/dbraw/zinc/52/47/74/402524774.db2.gz	CRPOIZZOQDOGEM-UHFFFAOYSA-N	2	0	322.497	2.056	10	30		DEEERP
[NH2+]=C(N[C@H]1C[C@@H]1C(F)F)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262827855	225286188	/nfs/dbraw/zinc/28/61/88/225286188.db2.gz	QUQJFQAKBVEQBU-GJZGRUSLSA-N	2	0	322.403	2.209	10	30		DEEERP
CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000161503794	625103825	/nfs/dbraw/zinc/10/38/25/625103825.db2.gz	GTDWSXRKYBVAHO-KRWDZBQOSA-N	2	0	318.465	2.110	10	30		DEEERP
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1sccc1C#CC[NH3+]	ZINC000094440985	193370007	/nfs/dbraw/zinc/37/00/07/193370007.db2.gz	WHZDAZFGUVSZAV-GOEBONIOSA-N	2	0	303.475	2.117	10	30		DEEERP
CC[C@H]1C[N@H+](CCOc2cccc(C#CC[NH3+])c2)CCS1	ZINC000158020632	197235997	/nfs/dbraw/zinc/23/59/97/197235997.db2.gz	ILWMAWIXQIRWPX-KRWDZBQOSA-N	2	0	304.459	2.203	10	30		DEEERP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000177765836	402433731	/nfs/dbraw/zinc/43/37/31/402433731.db2.gz	HVMRDEUGDAOEBL-JLSDUUJJSA-N	2	0	301.434	2.254	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)N2CCC(CC)([NH+](C)C)CC2)CC1	ZINC000633038789	406360485	/nfs/dbraw/zinc/36/04/85/406360485.db2.gz	AJIODTWURGOUPT-UHFFFAOYSA-N	2	0	322.497	2.153	10	30		DEEERP
C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1CCC[N@@H+]1C	ZINC000262423918	526381497	/nfs/dbraw/zinc/38/14/97/526381497.db2.gz	BYELLIBZZZMQKZ-CQSZACIVSA-N	2	0	324.469	2.307	10	30		DEEERP
C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CC1	ZINC000368824729	526933017	/nfs/dbraw/zinc/93/30/17/526933017.db2.gz	QAFFQZNTFODIAY-UHFFFAOYSA-N	2	0	323.440	2.448	10	30		DEEERP
CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261999613	528819012	/nfs/dbraw/zinc/81/90/12/528819012.db2.gz	UAGOOGYDPLMZFH-IUODEOHRSA-N	2	0	323.510	2.235	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(F)c1	ZINC000304755427	685259944	/nfs/dbraw/zinc/25/99/44/685259944.db2.gz	MSPRBBLQCQWBEB-MRXNPFEDSA-N	2	0	306.429	2.147	10	30		DEEERP
CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245630635	685116058	/nfs/dbraw/zinc/11/60/58/685116058.db2.gz	PXLPCHNXESJLNL-MLGOLLRUSA-N	2	0	321.469	2.075	10	30		DEEERP
CCc1ccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1	ZINC000303907910	685240193	/nfs/dbraw/zinc/24/01/93/685240193.db2.gz	XFPCPDNBAZVGMV-UHFFFAOYSA-N	2	0	304.438	2.088	10	30		DEEERP
CC[N@H+](CC(=O)Nc1sccc1C#N)C1CCC([NH3+])CC1	ZINC000091850838	193118248	/nfs/dbraw/zinc/11/82/48/193118248.db2.gz	QOAQFBWEGFYGCX-UHFFFAOYSA-N	2	0	306.435	2.150	10	30		DEEERP
[NH3+]CC#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)s1	ZINC000062982324	184264510	/nfs/dbraw/zinc/26/45/10/184264510.db2.gz	RDWMHPNVPYSPCI-HNNXBMFYSA-N	2	0	303.475	2.119	10	30		DEEERP
CC#CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000119186564	401932196	/nfs/dbraw/zinc/93/21/96/401932196.db2.gz	SKEIHFAZSODBBN-LJQANCHMSA-N	2	0	300.446	2.387	10	30		DEEERP
CCC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123632487	402139254	/nfs/dbraw/zinc/13/92/54/402139254.db2.gz	AUWRSEWXTFYGIS-UHFFFAOYSA-N	2	0	311.433	2.418	10	30		DEEERP
COc1ccc(C#CC[NH3+])c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1	ZINC000133757197	196334955	/nfs/dbraw/zinc/33/49/55/196334955.db2.gz	HZBIROPCGLJNIC-UONOGXRCSA-N	2	0	304.459	2.331	10	30		DEEERP
Cc1cccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000303779402	685234653	/nfs/dbraw/zinc/23/46/53/685234653.db2.gz	KNJYZEIFYFDTMU-GASCZTMLSA-N	2	0	304.438	2.221	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000174770329	356007607	/nfs/dbraw/zinc/00/76/07/356007607.db2.gz	RYFMWPZVGBINQT-RDJZCZTQSA-N	2	0	322.497	2.151	10	30		DEEERP
C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCC([NH3+])CC1	ZINC000091847572	193116814	/nfs/dbraw/zinc/11/68/14/193116814.db2.gz	BTWYOBPFHNYYLS-UHFFFAOYSA-N	2	0	306.435	2.150	10	30		DEEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)s2)CC1	ZINC000121138619	195298362	/nfs/dbraw/zinc/29/83/62/195298362.db2.gz	YFCKCRPNAWMLTI-ZDUSSCGKSA-N	2	0	307.463	2.144	10	30		DEEERP
C#CCCOc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1	ZINC000113322833	401776212	/nfs/dbraw/zinc/77/62/12/401776212.db2.gz	LZWGAKNWAHHKLB-UHFFFAOYSA-N	2	0	316.445	2.291	10	30		DEEERP
CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000175728841	402827222	/nfs/dbraw/zinc/82/72/22/402827222.db2.gz	APBBGMXEMBJZPA-PBHICJAKSA-N	2	0	314.433	2.159	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(F)cc1F	ZINC000304747337	685259084	/nfs/dbraw/zinc/25/90/84/685259084.db2.gz	GGUJEHDMGHMGJU-TZMCWYRMSA-N	2	0	324.419	2.457	10	30		DEEERP
CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)C1	ZINC000303896035	685238929	/nfs/dbraw/zinc/23/89/29/685238929.db2.gz	UDMDECUQGGMSPR-CQSZACIVSA-N	2	0	308.495	2.315	10	30		DEEERP
CCc1nc(CNC(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)=[NH+]C)cs1	ZINC000262005443	529735580	/nfs/dbraw/zinc/73/55/80/529735580.db2.gz	VOBXXBWJSFVGGQ-TZMCWYRMSA-N	2	0	323.510	2.099	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C	ZINC000626936356	366367199	/nfs/dbraw/zinc/36/71/99/366367199.db2.gz	IYHXQHMYKYIYLY-BRWVUGGUSA-N	2	0	322.497	2.125	10	30		DEEERP
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)cc1Cl	ZINC000130845452	196115409	/nfs/dbraw/zinc/11/54/09/196115409.db2.gz	QRWRBFVKVDJVPS-OAHLLOKOSA-N	2	0	304.825	2.213	10	30		DEEERP
C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)C1	ZINC000304754705	685260143	/nfs/dbraw/zinc/26/01/43/685260143.db2.gz	MCAGVWJTAXERAG-CYBMUJFWSA-N	2	0	306.429	2.434	10	30		DEEERP
CN1CCC[NH+]=C1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1	ZINC000263211801	530054219	/nfs/dbraw/zinc/05/42/19/530054219.db2.gz	ZCQPPTDIMFZDQO-SFHVURJKSA-N	2	0	300.450	2.322	10	30		DEEERP
N#Cc1cc2n(n1)CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2	ZINC000067820825	283118109	/nfs/dbraw/zinc/11/81/09/283118109.db2.gz	JLFICCBWBNDKQB-UHFFFAOYSA-N	2	0	313.449	2.273	10	30		DEEERP
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1sccc1C#CC[NH3+]	ZINC000094440984	193369471	/nfs/dbraw/zinc/36/94/71/193369471.db2.gz	WHZDAZFGUVSZAV-GDBMZVCRSA-N	2	0	303.475	2.117	10	30		DEEERP
[NH3+]CC#Cc1ccsc1CN1CC[C@H]([NH+]2CCCCC2)C1	ZINC000062982326	184264564	/nfs/dbraw/zinc/26/45/64/184264564.db2.gz	RAVNHBHWTRMXTM-INIZCTEOSA-N	2	0	303.475	2.119	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1	ZINC000177492764	402408798	/nfs/dbraw/zinc/40/87/98/402408798.db2.gz	DUWWGUUHPRCZIH-KRWDZBQOSA-N	2	0	322.497	2.153	10	30		DEEERP
Cc1cc(C#N)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000186210433	402410604	/nfs/dbraw/zinc/41/06/04/402410604.db2.gz	PDEUWPMSQVXMKR-MRXNPFEDSA-N	2	0	315.461	2.391	10	30		DEEERP
C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261964940	526350551	/nfs/dbraw/zinc/35/05/51/526350551.db2.gz	LDCVYDSGSBCTKY-GDBMZVCRSA-N	2	0	306.498	2.460	10	30		DEEERP
C[C@@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCC[C@H](C)C1	ZINC000303902936	685240504	/nfs/dbraw/zinc/24/05/04/685240504.db2.gz	UIJKQHXFPIZRFH-KBPBESRZSA-N	2	0	308.495	2.315	10	30		DEEERP
C[NH+](C)Cc1cccc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)c1	ZINC000071775894	402277246	/nfs/dbraw/zinc/27/72/46/402277246.db2.gz	NHGJGXWGQAYCAK-CQSZACIVSA-N	2	0	321.428	2.080	10	30		DEEERP
C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000362298473	403940850	/nfs/dbraw/zinc/94/08/50/403940850.db2.gz	BBDZQASMGARBGN-SJORKVTESA-N	2	0	309.498	2.463	10	30		DEEERP
C[C@H]1SCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)[C@@H]1C	ZINC000133760323	196334911	/nfs/dbraw/zinc/33/49/11/196334911.db2.gz	OIDLSHRWMWRXCT-HUUCEWRRSA-N	2	0	304.459	2.201	10	30		DEEERP
C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261959691	526413294	/nfs/dbraw/zinc/41/32/94/526413294.db2.gz	JTQMCSKVUSUWIO-QWHCGFSZSA-N	2	0	300.516	2.022	10	30		DEEERP
CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358554371	535697765	/nfs/dbraw/zinc/69/77/65/535697765.db2.gz	JZCAUOMVNFPGEZ-OAHLLOKOSA-N	2	0	318.440	2.376	10	30		DEEERP
C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NCCc1cccs1	ZINC000303770088	685233269	/nfs/dbraw/zinc/23/32/69/685233269.db2.gz	BOFSIZFOYGTWDR-AWEZNQCLSA-N	2	0	308.495	2.459	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C	ZINC000626936362	366367330	/nfs/dbraw/zinc/36/73/30/366367330.db2.gz	IYHXQHMYKYIYLY-YESZJQIVSA-N	2	0	322.497	2.125	10	30		DEEERP
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(C[NH2+]C2)O1	ZINC000595886855	358572314	/nfs/dbraw/zinc/57/23/14/358572314.db2.gz	ZZZVLEVDMPZXPC-MRXNPFEDSA-N	2	0	317.389	2.104	10	30		DEEERP
CC(C)CNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000262447638	527955668	/nfs/dbraw/zinc/95/56/68/527955668.db2.gz	JDKMSZOUIJJROZ-UHFFFAOYSA-N	2	0	320.403	2.352	10	30		DEEERP
[NH2+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000066242526	625056752	/nfs/dbraw/zinc/05/67/52/625056752.db2.gz	FYAAZIAFUOMEFW-INIZCTEOSA-N	2	0	322.497	2.259	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1Cl	ZINC000114085597	651894239	/nfs/dbraw/zinc/89/42/39/651894239.db2.gz	YRLSDOKZOXKWJV-AWEZNQCLSA-N	2	0	308.857	2.441	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1	ZINC000304765033	685261126	/nfs/dbraw/zinc/26/11/26/685261126.db2.gz	YSXSGLJMLZGNEQ-BBWFWOEESA-N	2	0	300.450	2.179	10	30		DEEERP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C	ZINC000104192538	684058926	/nfs/dbraw/zinc/05/89/26/684058926.db2.gz	PBHFOKFCYYFWME-HOTGVXAUSA-N	2	0	312.502	2.216	10	30		DEEERP
CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1	ZINC000134125854	684225553	/nfs/dbraw/zinc/22/55/53/684225553.db2.gz	WDRBHOQGFLPXSG-CQSZACIVSA-N	2	0	308.495	2.173	10	30		DEEERP
CCc1nc(CNC(NC2CC[NH+](C(C)C)CC2)=[NH+]C)cs1	ZINC000262745903	529735522	/nfs/dbraw/zinc/73/55/22/529735522.db2.gz	KLODQRYIRAFKKO-UHFFFAOYSA-N	2	0	323.510	2.243	10	30		DEEERP
C=CC[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1	ZINC000625704656	365876662	/nfs/dbraw/zinc/87/66/62/365876662.db2.gz	ZMDHRUPINAEQEY-FUHWJXTLSA-N	2	0	315.461	2.304	10	30		DEEERP
[NH3+]CC#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)s1	ZINC000062982325	184264020	/nfs/dbraw/zinc/26/40/20/184264020.db2.gz	RDWMHPNVPYSPCI-OAHLLOKOSA-N	2	0	303.475	2.119	10	30		DEEERP
CC1(C)C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CCS1	ZINC000159051500	197322877	/nfs/dbraw/zinc/32/28/77/197322877.db2.gz	QVGWOXKDPIRCNP-UHFFFAOYSA-N	2	0	304.459	2.203	10	30		DEEERP
C=CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]2C1	ZINC000503719953	257207262	/nfs/dbraw/zinc/20/72/62/257207262.db2.gz	PPTYRGKPTLCNSA-RBUKOAKNSA-N	2	0	311.429	2.267	10	30		DEEERP
CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2ccnc2)CC1	ZINC000330243862	404599511	/nfs/dbraw/zinc/59/95/11/404599511.db2.gz	KAGZEAFIBAWGNL-MRXNPFEDSA-N	2	0	319.453	2.136	10	30		DEEERP
COc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1C#CC[NH3+]	ZINC000133763826	196334598	/nfs/dbraw/zinc/33/45/98/196334598.db2.gz	UEEKSGOCLXQGFB-UONOGXRCSA-N	2	0	304.459	2.331	10	30		DEEERP
CC[NH+]1CCC(CC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000174551130	325740302	/nfs/dbraw/zinc/74/03/02/325740302.db2.gz	RMBVDQBBXWVAET-UHFFFAOYSA-N	2	0	311.433	2.418	10	30		DEEERP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000047969084	337431856	/nfs/dbraw/zinc/43/18/56/337431856.db2.gz	OWXJGECWYYSOQG-UHFFFAOYSA-N	2	0	307.482	2.219	10	30		DEEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1COc2cccc(Cl)c21	ZINC000262283088	529073101	/nfs/dbraw/zinc/07/31/01/529073101.db2.gz	LNUJSTAWTKDESP-YPMHNXCESA-N	2	0	322.840	2.162	10	30		DEEERP
CCOCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000303775838	685234529	/nfs/dbraw/zinc/23/45/29/685234529.db2.gz	HEJPJXGMJOPFLA-UHFFFAOYSA-N	2	0	318.465	2.113	10	30		DEEERP
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N	ZINC000594447522	358274145	/nfs/dbraw/zinc/27/41/45/358274145.db2.gz	YCBLUCBBRNGHBU-NVXWUHKLSA-N	2	0	316.449	2.034	10	30		DEEERP
C[NH+](C)CC1CC[NH+](Cc2sccc2C#CCCO)CC1	ZINC000043679814	183378903	/nfs/dbraw/zinc/37/89/03/183378903.db2.gz	TXURCKMMNXUMGP-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2C#CC[NH3+])CCS1	ZINC000158019243	197235855	/nfs/dbraw/zinc/23/58/55/197235855.db2.gz	YHTMDHRWEWQGGK-QGZVFWFLSA-N	2	0	304.459	2.333	10	30		DEEERP
CC[C@@H]1C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CCS1	ZINC000158020814	197235577	/nfs/dbraw/zinc/23/55/77/197235577.db2.gz	NSONKBNEOYNMPS-QGZVFWFLSA-N	2	0	304.459	2.203	10	30		DEEERP
CC(C)[N@@H+]1CCO[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]2C1	ZINC000248004841	257112108	/nfs/dbraw/zinc/11/21/08/257112108.db2.gz	PFAVXWFVCSXAEN-OALUTQOASA-N	2	0	313.445	2.489	10	30		DEEERP
CC[N@@H+]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1	ZINC000245726212	402483639	/nfs/dbraw/zinc/48/36/39/402483639.db2.gz	IUFOOFLYCMMNOM-YOEHRIQHSA-N	2	0	311.433	2.368	10	30		DEEERP
C=C(C)C[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1	ZINC000353330107	404804323	/nfs/dbraw/zinc/80/43/23/404804323.db2.gz	SADFFWWVRXMOFY-QGZVFWFLSA-N	2	0	307.482	2.408	10	30		DEEERP
[NH2+]=C(N[C@@H]1C[C@H]1C1CC1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000262819863	225286272	/nfs/dbraw/zinc/28/62/72/225286272.db2.gz	PMUDXKNGLYLEBF-ZWKOTPCHSA-N	2	0	312.461	2.354	10	30		DEEERP
C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261959910	526389420	/nfs/dbraw/zinc/38/94/20/526389420.db2.gz	JXRDXEMCAZMAOS-BXUZGUMPSA-N	2	0	323.510	2.154	10	30		DEEERP
CCC[NH+]1CCC(NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)CC1	ZINC000262392346	528195991	/nfs/dbraw/zinc/19/59/91/528195991.db2.gz	ITFYQWHAQZTALD-QAPCUYQASA-N	2	0	324.513	2.229	10	30		DEEERP
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)cc1)C2	ZINC000888097220	635540510	/nfs/dbraw/zinc/54/05/10/635540510.db2.gz	FHFUNDWAQDRDSU-AKHDSKFASA-N	2	0	313.445	2.128	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1cccc(Cl)c1	ZINC000114087133	651893880	/nfs/dbraw/zinc/89/38/80/651893880.db2.gz	DGMZKBAONKEVNG-HNNXBMFYSA-N	2	0	308.857	2.441	10	30		DEEERP
COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000104168182	684058830	/nfs/dbraw/zinc/05/88/30/684058830.db2.gz	QBNJHUQAECRCJL-ZDUSSCGKSA-N	2	0	320.437	2.305	10	30		DEEERP
C[N@H+](CCNC(=[NH2+])NCCc1cccs1)C1CCCCC1	ZINC000303905129	685239526	/nfs/dbraw/zinc/23/95/26/685239526.db2.gz	VJCFXAQTOYQCFS-UHFFFAOYSA-N	2	0	308.495	2.459	10	30		DEEERP
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1	ZINC000070170836	190866988	/nfs/dbraw/zinc/86/69/88/190866988.db2.gz	KPLJCXXPNSBUEC-GFCCVEGCSA-N	2	0	306.435	2.009	10	30		DEEERP
C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000110649969	194345813	/nfs/dbraw/zinc/34/58/13/194345813.db2.gz	NSXGBWFJYJOIMJ-LLVKDONJSA-N	2	0	306.435	2.008	10	30		DEEERP
CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000156751471	197138032	/nfs/dbraw/zinc/13/80/32/197138032.db2.gz	YAZHNJJQZLAAAG-CYBMUJFWSA-N	2	0	308.451	2.254	10	30		DEEERP
C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000362298471	403940789	/nfs/dbraw/zinc/94/07/89/403940789.db2.gz	BBDZQASMGARBGN-IAGOWNOFSA-N	2	0	309.498	2.463	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1oc(C[NH3+])cc1C)C(C)C	ZINC000638067757	406553570	/nfs/dbraw/zinc/55/35/70/406553570.db2.gz	FEJVOJXGIWPMGZ-MRXNPFEDSA-N	2	0	319.449	2.475	10	30		DEEERP
CN(C)C(=[NH+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N(C)C	ZINC000262474664	225273167	/nfs/dbraw/zinc/27/31/67/225273167.db2.gz	PVRHQPVZFXOEJI-UHFFFAOYSA-N	2	0	320.403	2.271	10	30		DEEERP
C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261959690	526413252	/nfs/dbraw/zinc/41/32/52/526413252.db2.gz	JTQMCSKVUSUWIO-CHWSQXEVSA-N	2	0	300.516	2.022	10	30		DEEERP
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)cc1)C2	ZINC000888097221	635540912	/nfs/dbraw/zinc/54/09/12/635540912.db2.gz	FHFUNDWAQDRDSU-MKXGPGLRSA-N	2	0	313.445	2.128	10	30		DEEERP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2	ZINC000303887576	685237732	/nfs/dbraw/zinc/23/77/32/685237732.db2.gz	KYMRYTUJTXKZNJ-CYBMUJFWSA-N	2	0	320.437	2.305	10	30		DEEERP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCCC1)NC1CC1	ZINC000262337279	530039191	/nfs/dbraw/zinc/03/91/91/530039191.db2.gz	XJCSBZQLRLKYQP-UHFFFAOYSA-N	2	0	310.511	2.066	10	30		DEEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000424383529	405078990	/nfs/dbraw/zinc/07/89/90/405078990.db2.gz	UHVMEYRINYQIIX-PCODUJHASA-N	2	0	314.429	2.423	10	30		DEEERP
C=CC[NH+]1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000417523742	526435667	/nfs/dbraw/zinc/43/56/67/526435667.db2.gz	IRYSRPJWNVMEGO-AWEZNQCLSA-N	2	0	316.449	2.156	10	30		DEEERP
CCNC(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)=[NH+]CC	ZINC000066243804	625057156	/nfs/dbraw/zinc/05/71/56/625057156.db2.gz	ASQBFJVRLBJASQ-KRWDZBQOSA-N	2	0	302.466	2.474	10	30		DEEERP
C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000262005285	636993806	/nfs/dbraw/zinc/99/38/06/636993806.db2.gz	VLXWAEHXPUTXNL-XJNFMUPTSA-N	2	0	300.450	2.223	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1ccc(Cl)cc1	ZINC000114085482	651894402	/nfs/dbraw/zinc/89/44/02/651894402.db2.gz	AZUVKWYNWIDLQI-HNNXBMFYSA-N	2	0	308.857	2.441	10	30		DEEERP
CC(C)(CNC(=[NH2+])NCCc1cccs1)[NH+]1CCCCC1	ZINC000303772920	685232946	/nfs/dbraw/zinc/23/29/46/685232946.db2.gz	DWAXCFOYXCKAHY-UHFFFAOYSA-N	2	0	308.495	2.459	10	30		DEEERP
C[C@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCCCC1	ZINC000303888764	685237715	/nfs/dbraw/zinc/23/77/15/685237715.db2.gz	PCXLCFNCVKNOSI-CQSZACIVSA-N	2	0	308.495	2.317	10	30		DEEERP
C[C@H](CNC(=[NH2+])NCCc1cccs1)[N@@H+]1CCC[C@@H](C)C1	ZINC000303902945	685240146	/nfs/dbraw/zinc/24/01/46/685240146.db2.gz	UIJKQHXFPIZRFH-ZIAGYGMSSA-N	2	0	308.495	2.315	10	30		DEEERP
C[N@@H+](Cc1ccc(C#CCCO)s1)CC1CC[NH+](C)CC1	ZINC000063121462	184271598	/nfs/dbraw/zinc/27/15/98/184271598.db2.gz	NDECUQFGAHEQNS-UHFFFAOYSA-N	2	0	306.475	2.256	10	30		DEEERP
C=CCOc1ccccc1C[N@H+](C)CCCN1CC[NH+](C)CC1	ZINC000349293094	404145690	/nfs/dbraw/zinc/14/56/90/404145690.db2.gz	DPXCSNLMBSFPRK-UHFFFAOYSA-N	2	0	317.477	2.321	10	30		DEEERP
C=CC[NH+](CC=C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C	ZINC000573384306	406771798	/nfs/dbraw/zinc/77/17/98/406771798.db2.gz	VRSZBRPJMQPPIA-IAGOWNOFSA-N	2	0	307.482	2.143	10	30		DEEERP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261650081	526371706	/nfs/dbraw/zinc/37/17/06/526371706.db2.gz	FBBSXXMBZHINDN-JYJNAYRXSA-N	2	0	304.482	2.168	10	30		DEEERP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C	ZINC000104192544	634595381	/nfs/dbraw/zinc/59/53/81/634595381.db2.gz	PBHFOKFCYYFWME-JKSUJKDBSA-N	2	0	312.502	2.216	10	30		DEEERP
C[NH+]=C(NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)NC1CC1	ZINC000153557918	647509789	/nfs/dbraw/zinc/50/97/89/647509789.db2.gz	IBBZXZYTBLHELX-GOSISDBHSA-N	2	0	300.450	2.369	10	30		DEEERP
C[NH+]=C(NCCC1CC[NH+](C)CC1)N(C)Cc1csc(C)n1	ZINC000261843874	526354332	/nfs/dbraw/zinc/35/43/32/526354332.db2.gz	WOPKQHVJJGUAFE-UHFFFAOYSA-N	2	0	323.510	2.191	10	30		DEEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	ZINC000262574784	526377823	/nfs/dbraw/zinc/37/78/23/526377823.db2.gz	ZWJXUFQTOFNOPX-XHSDSOJGSA-N	2	0	324.513	2.087	10	30		DEEERP