smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(N)n(CCC[NH+]2CCOCC2)c2nc(C#N)c(C#N)nc12	ZINC000019902560	202025490	/nfs/dbraw/zinc/02/54/90/202025490.db2.gz	FXBHEEFLNPOMJQ-UHFFFAOYSA-N	1	0	336.359	0.351	50	30		ECEARO
CC(C)(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000022835625	202092540	/nfs/dbraw/zinc/09/25/40/202092540.db2.gz	SIMPRBKKHHMTBF-MRXNPFEDSA-N	1	0	333.432	0.998	50	30		ECEARO
CS(=O)(=O)NCCC[N@@H+]1CC[C@H](CNc2ncccc2C#N)C1	ZINC000065531049	201155637	/nfs/dbraw/zinc/15/56/37/201155637.db2.gz	WIFXPCIYPYNFHT-CYBMUJFWSA-N	1	0	337.449	0.626	50	30		ECEARO
Cn1c(NCC[N@@H+]2CCc3ccccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000045026616	202541896	/nfs/dbraw/zinc/54/18/96/202541896.db2.gz	OEPKHDNGSMVVPJ-UHFFFAOYSA-N	1	0	339.399	0.426	50	30		ECEARO
C=CC[C@@H](NC(C)=O)C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1	ZINC000069741592	203313791	/nfs/dbraw/zinc/31/37/91/203313791.db2.gz	JKLUWBAEIUQPRR-HUUCEWRRSA-N	1	0	325.453	0.618	50	30		ECEARO
CCOCCCNC(=[NH+]C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000075612003	436166516	/nfs/dbraw/zinc/16/65/16/436166516.db2.gz	VWJSJQUOJRLVNR-CQSZACIVSA-N	1	0	326.441	0.312	50	30		ECEARO
CCc1nc(CN(C)[C@H]2CC[N@H+](CCn3cc(C#N)cn3)C2)no1	ZINC000078891427	436282688	/nfs/dbraw/zinc/28/26/88/436282688.db2.gz	SPJLXSHEBAPNRY-AWEZNQCLSA-N	1	0	329.408	0.906	50	30		ECEARO
CC[NH+]=C(NCc1noc(C)n1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000088964881	436407030	/nfs/dbraw/zinc/40/70/30/436407030.db2.gz	BRAMHADGBDEVLY-ZDUSSCGKSA-N	1	0	346.439	0.836	50	30		ECEARO
CCN1CC[NH+](C[C@@H]2CN(c3cc(C#N)ccn3)C[C@@H]2CO)CC1	ZINC000095386157	436494055	/nfs/dbraw/zinc/49/40/55/436494055.db2.gz	LHQVDUOUDNRHQI-IAGOWNOFSA-N	1	0	329.448	0.635	50	30		ECEARO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1	ZINC000068341273	436741058	/nfs/dbraw/zinc/74/10/58/436741058.db2.gz	TZJCTVREYFHZQC-OAHLLOKOSA-N	1	0	349.456	0.764	50	30		ECEARO
CN1CCN(C(=O)CC2CCN(c3cnc(C#N)cn3)CC2)CC1	ZINC000124255673	436746784	/nfs/dbraw/zinc/74/67/84/436746784.db2.gz	CSZPLAIFQPCIGD-UHFFFAOYSA-N	1	0	328.420	0.729	50	30		ECEARO
C[C@@](O)(C[C@@H](O)CN1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846190	439709406	/nfs/dbraw/zinc/70/94/06/439709406.db2.gz	NDTNBXGWCDNRCS-SJLPKXTDSA-N	1	0	330.432	0.987	50	30		ECEARO
C[NH+]=C(NCc1ccc(C)nc1OC)NC[C@H](C)N1CCOCC1	ZINC000095350571	754132628	/nfs/dbraw/zinc/13/26/28/754132628.db2.gz	NNDRGHQKJDUQEM-AWEZNQCLSA-N	1	0	335.452	0.784	50	30		ECEARO
Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000072254077	436036193	/nfs/dbraw/zinc/03/61/93/436036193.db2.gz	PUUJBHCQYHCPNQ-LSDHHAIUSA-N	1	0	327.388	0.803	50	30		ECEARO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000072300778	436041985	/nfs/dbraw/zinc/04/19/85/436041985.db2.gz	JSVODDWEWCWCMJ-DYVFJYSZSA-N	1	0	334.420	0.497	50	30		ECEARO
CC[N@H+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091643520	436457622	/nfs/dbraw/zinc/45/76/22/436457622.db2.gz	ACJWXAAXBJEJPY-HUUCEWRRSA-N	1	0	337.445	0.739	50	30		ECEARO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000068341274	436741883	/nfs/dbraw/zinc/74/18/83/436741883.db2.gz	TZJCTVREYFHZQC-HNNXBMFYSA-N	1	0	349.456	0.764	50	30		ECEARO
CCNC(=O)c1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1	ZINC000072272447	203187885	/nfs/dbraw/zinc/18/78/85/203187885.db2.gz	OYYAXQPXXNOEOX-UHFFFAOYSA-N	1	0	347.463	0.434	50	30		ECEARO
CN1CCCC/C1=[NH+]\CCCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000002867376	435971253	/nfs/dbraw/zinc/97/12/53/435971253.db2.gz	YVSKWVPVDWXZLI-SFQUDFHCSA-N	1	0	332.408	0.338	50	30		ECEARO
C=CCOc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC	ZINC000008471111	436029335	/nfs/dbraw/zinc/02/93/35/436029335.db2.gz	RIOJDUVCYFBTNX-UHFFFAOYSA-N	1	0	347.375	0.745	50	30		ECEARO
N#CCCN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCc2ncnn2C1	ZINC000075603395	436165654	/nfs/dbraw/zinc/16/56/54/436165654.db2.gz	XAXBAEZWZMWKGB-ZDUSSCGKSA-N	1	0	328.376	0.718	50	30		ECEARO
COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1	ZINC000095358253	436492472	/nfs/dbraw/zinc/49/24/72/436492472.db2.gz	VNUDEOUKLKFANS-IEBWSBKVSA-N	1	0	343.427	0.990	50	30		ECEARO
N#Cc1ccc(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000106665390	436600454	/nfs/dbraw/zinc/60/04/54/436600454.db2.gz	QRBNSTZXSBPKAA-AEFFLSMTSA-N	1	0	342.399	0.895	50	30		ECEARO
N#Cc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(Cl)c1	ZINC000126964064	436794955	/nfs/dbraw/zinc/79/49/55/436794955.db2.gz	FMQGIWTZOBEBIF-UHFFFAOYSA-N	1	0	328.825	0.395	50	30		ECEARO
CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000257191165	436860088	/nfs/dbraw/zinc/86/00/88/436860088.db2.gz	PEVKUTFZCYDGGO-MSOLQXFVSA-N	1	0	342.443	0.704	50	30		ECEARO
C[C@@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1	ZINC000328595000	437237684	/nfs/dbraw/zinc/23/76/84/437237684.db2.gz	IDEYABWEBCKMBW-LBPRGKRZSA-N	1	0	326.422	0.463	50	30		ECEARO
CC(C)(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N1CCOCC1	ZINC000022835629	202092197	/nfs/dbraw/zinc/09/21/97/202092197.db2.gz	SIMPRBKKHHMTBF-INIZCTEOSA-N	1	0	333.432	0.998	50	30		ECEARO
Cn1c(NC[C@H](c2cccs2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012798656	273815170	/nfs/dbraw/zinc/81/51/70/273815170.db2.gz	XTKBHIMIRIQJCX-LLVKDONJSA-N	1	0	333.417	0.732	50	30		ECEARO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3ncnn3C2)cc1	ZINC000071876937	436020956	/nfs/dbraw/zinc/02/09/56/436020956.db2.gz	WBAKJYUQQOQMKK-GJZGRUSLSA-N	1	0	327.388	0.688	50	30		ECEARO
N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1	ZINC000071876935	436021677	/nfs/dbraw/zinc/02/16/77/436021677.db2.gz	WBAKJYUQQOQMKK-CABCVRRESA-N	1	0	327.388	0.688	50	30		ECEARO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1	ZINC000072268776	436035749	/nfs/dbraw/zinc/03/57/49/436035749.db2.gz	YNXKRPLRCJBNIB-WMZOPIPTSA-N	1	0	331.416	0.751	50	30		ECEARO
N#Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000072269224	436038740	/nfs/dbraw/zinc/03/87/40/436038740.db2.gz	SBKIFVYZGWNQMN-IAGOWNOFSA-N	1	0	329.400	0.995	50	30		ECEARO
COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000072272579	436040088	/nfs/dbraw/zinc/04/00/88/436040088.db2.gz	QNMSGHRZPBPHRT-GDBMZVCRSA-N	1	0	348.447	0.568	50	30		ECEARO
Cn1c(NC[C@H](C2CCCCC2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000045802186	436377237	/nfs/dbraw/zinc/37/72/37/436377237.db2.gz	LLPYIHMTFDOWTL-CQSZACIVSA-N	1	0	333.436	0.878	50	30		ECEARO
C#CCOc1ccc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1	ZINC000106850892	436604394	/nfs/dbraw/zinc/60/43/94/436604394.db2.gz	SCOPCXGWHASETQ-KRWDZBQOSA-N	1	0	344.459	0.786	50	30		ECEARO
C[NH+]=C(NCCOc1ccc(F)cc1F)NCCN1CCOCC1	ZINC000225451099	436710873	/nfs/dbraw/zinc/71/08/73/436710873.db2.gz	JKYPDAAKXLONNN-UHFFFAOYSA-N	1	0	342.390	0.841	50	30		ECEARO
N#Cc1ccc(CCC(=O)N2CC([NH+]3CCC(C(N)=O)CC3)C2)cc1	ZINC000253472456	436847755	/nfs/dbraw/zinc/84/77/55/436847755.db2.gz	MNNMDNDXJDEFDJ-UHFFFAOYSA-N	1	0	340.427	0.899	50	30		ECEARO
C=CCn1cc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)COC)C[C@H]3C2)cn1	ZINC000095390592	218322527	/nfs/dbraw/zinc/32/25/27/218322527.db2.gz	ZAZZKQNHBTWADZ-SJLPKXTDSA-N	1	0	348.447	0.501	50	30		ECEARO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCN(C(C)=O)C2)[N@H+](C)C1	ZINC000329033499	286090487	/nfs/dbraw/zinc/09/04/87/286090487.db2.gz	XXDJJYTUSXDNGJ-PMPSAXMXSA-N	1	0	340.468	0.810	50	30		ECEARO
COC[C@H](C)NC(=[NH2+])NC[C@@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000072272578	436039868	/nfs/dbraw/zinc/03/98/68/436039868.db2.gz	QNMSGHRZPBPHRT-GOEBONIOSA-N	1	0	348.447	0.568	50	30		ECEARO
CC[NH+]1CCN(CCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000073232289	436071385	/nfs/dbraw/zinc/07/13/85/436071385.db2.gz	KQGGQSVBSRUWEF-KRWDZBQOSA-N	1	0	335.496	0.706	50	30		ECEARO
C[N@@H+]1CCN(C(=O)C2(C#N)CCOCC2)C[C@]12CCNC(=O)CC2	ZINC000092098173	436466792	/nfs/dbraw/zinc/46/67/92/436466792.db2.gz	VEYXFJVCIXARTP-KRWDZBQOSA-N	1	0	334.420	0.120	50	30		ECEARO
CCN1CC[NH+](C[C@@H]2CN(c3cccc(C#N)n3)C[C@@H]2CO)CC1	ZINC000095372054	436492510	/nfs/dbraw/zinc/49/25/10/436492510.db2.gz	BFOPEEVHOASGTO-HZPDHXFCSA-N	1	0	329.448	0.635	50	30		ECEARO
COCC[NH+]=C(NCCOC[C@@H]1CCCO1)N[C@H](C)[C@H]1CCCO1	ZINC000095405744	436493897	/nfs/dbraw/zinc/49/38/97/436493897.db2.gz	JOKATXNCNPIDGH-OWCLPIDISA-N	1	0	343.468	0.931	50	30		ECEARO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000106642317	436600029	/nfs/dbraw/zinc/60/00/29/436600029.db2.gz	IZTGULYCSNXOAW-GJZGRUSLSA-N	1	0	345.399	0.925	50	30		ECEARO
C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000195574124	436693543	/nfs/dbraw/zinc/69/35/43/436693543.db2.gz	BXIFJHNMMIOJGN-UHFFFAOYSA-N	1	0	326.397	0.223	50	30		ECEARO
C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476420	436663209	/nfs/dbraw/zinc/66/32/09/436663209.db2.gz	HRPMWRAJNRUGRL-GOEBONIOSA-N	1	0	343.431	0.934	50	30		ECEARO
C[C@@](C#N)(NC(=O)C[NH2+]C[C@H]1CCCN1c1cccnn1)C1CC1	ZINC000072276725	436039583	/nfs/dbraw/zinc/03/95/83/436039583.db2.gz	JOFBCXLRCPMDTG-PBHICJAKSA-N	1	0	328.420	0.843	50	30		ECEARO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300779	436043349	/nfs/dbraw/zinc/04/33/49/436043349.db2.gz	JSVODDWEWCWCMJ-CXAGYDPISA-N	1	0	334.420	0.497	50	30		ECEARO
C#CCOC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097505	436256621	/nfs/dbraw/zinc/25/66/21/436256621.db2.gz	SGDFAFOASAEXHQ-QGZVFWFLSA-N	1	0	336.432	0.733	50	30		ECEARO
CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104600	436538405	/nfs/dbraw/zinc/53/84/05/436538405.db2.gz	YJFOEGBARKORBD-HNNXBMFYSA-N	1	0	333.392	0.511	50	30		ECEARO
CCNC(=[NH2+])N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000097229799	436542706	/nfs/dbraw/zinc/54/27/06/436542706.db2.gz	PWHLTAOULBBDEU-UHFFFAOYSA-N	1	0	343.229	0.704	50	30		ECEARO
C=CCn1cc(C[NH2+]C[C@H]2CN(S(C)(=O)=O)CCO2)c(C)n1	ZINC000055166921	519280729	/nfs/dbraw/zinc/28/07/29/519280729.db2.gz	LYHGOUBGIWRZSQ-AWEZNQCLSA-N	1	0	328.438	0.128	50	30		ECEARO
N#Cc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H](O)C2)cc1	ZINC000097294840	545729651	/nfs/dbraw/zinc/72/96/51/545729651.db2.gz	AMRMFISBHPGJIO-QGZVFWFLSA-N	1	0	329.400	0.856	50	30		ECEARO
N#Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000072269225	436040629	/nfs/dbraw/zinc/04/06/29/436040629.db2.gz	SBKIFVYZGWNQMN-DLBZAZTESA-N	1	0	329.400	0.995	50	30		ECEARO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCSC2)CC1	ZINC000328588930	437238277	/nfs/dbraw/zinc/23/82/77/437238277.db2.gz	YWSKWBBYRJRIPR-UONOGXRCSA-N	1	0	340.493	0.892	50	30		ECEARO
C=CCN1C[C@H](C(=O)NC2CC[NH+](CCSC)CC2)CC1=O	ZINC000952981330	612139772	/nfs/dbraw/zinc/13/97/72/612139772.db2.gz	DGXLDFZKUBJZDJ-CYBMUJFWSA-N	1	0	325.478	0.965	50	30		ECEARO
N#Cc1ccc(OCC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451530	203001669	/nfs/dbraw/zinc/00/16/69/203001669.db2.gz	MQJSXTKEQVHFDS-AWEZNQCLSA-N	1	0	338.433	0.442	50	30		ECEARO
CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069626831	203029074	/nfs/dbraw/zinc/02/90/74/203029074.db2.gz	QZPNBLNFIZBRLP-YJBOKZPZSA-N	1	0	336.480	0.819	50	30		ECEARO
CN(CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cn1	ZINC000072269173	436038337	/nfs/dbraw/zinc/03/83/37/436038337.db2.gz	WTKKDEQBYBQPHP-HOTGVXAUSA-N	1	0	343.431	0.447	50	30		ECEARO
O=C(CN1CC(=O)[O+]=N1)N1CCO[C@H](CCCc2ccccc2)C1	ZINC000012298863	436046638	/nfs/dbraw/zinc/04/66/38/436046638.db2.gz	AQJKWOALJHDWCO-OAHLLOKOSA-O	1	0	332.380	0.918	50	30		ECEARO
CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(C#N)cs2)CC1	ZINC000097212813	436540870	/nfs/dbraw/zinc/54/08/70/436540870.db2.gz	ZAVDGXWZELDRRE-UHFFFAOYSA-N	1	0	328.463	0.287	50	30		ECEARO
CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000257189644	436857083	/nfs/dbraw/zinc/85/70/83/436857083.db2.gz	JKNGEGNTNYMHKN-MSOLQXFVSA-N	1	0	342.443	0.704	50	30		ECEARO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000257366300	436876470	/nfs/dbraw/zinc/87/64/70/436876470.db2.gz	QXDRPGMGVFCKLY-GUYCJALGSA-N	1	0	336.436	0.721	50	30		ECEARO
N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](CCO)C2)CC1	ZINC000097492593	545731237	/nfs/dbraw/zinc/73/12/37/545731237.db2.gz	IXGQJBFMDLDBEJ-KRWDZBQOSA-N	1	0	342.443	0.911	50	30		ECEARO
C=CCN1C[C@H](C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)CC1=O	ZINC000067947652	215255981	/nfs/dbraw/zinc/25/59/81/215255981.db2.gz	RPCLOCCQTMYFRI-MRXNPFEDSA-N	1	0	348.491	0.649	50	30		ECEARO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000330195046	289036193	/nfs/dbraw/zinc/03/61/93/289036193.db2.gz	BJXGKUKOVXBWCT-HZSPNIEDSA-N	1	0	347.481	0.255	50	30		ECEARO
C=CC[C@H](NC(C)=O)C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1	ZINC000069741584	435962400	/nfs/dbraw/zinc/96/24/00/435962400.db2.gz	JKLUWBAEIUQPRR-GJZGRUSLSA-N	1	0	325.453	0.618	50	30		ECEARO
C[NH+]=C(NCCCN1CCCS1(=O)=O)NCc1ccccc1F	ZINC000075611994	436166194	/nfs/dbraw/zinc/16/61/94/436166194.db2.gz	BQDIOCYYFMROAC-UHFFFAOYSA-N	1	0	342.440	0.916	50	30		ECEARO
N#Cc1cccnc1NC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1	ZINC000065496882	436664718	/nfs/dbraw/zinc/66/47/18/436664718.db2.gz	CPWJHEYAWMCSGG-AWEZNQCLSA-N	1	0	329.404	0.546	50	30		ECEARO
C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(c1ncccc1C#N)C2	ZINC000067819120	436724680	/nfs/dbraw/zinc/72/46/80/436724680.db2.gz	GHYZBWPYDJMUEP-UHFFFAOYSA-N	1	0	339.403	0.461	50	30		ECEARO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@](C)(CO)C2)CC1	ZINC000253370055	436839663	/nfs/dbraw/zinc/83/96/63/436839663.db2.gz	LMMCGHNVDCBIOO-AEFFLSMTSA-N	1	0	336.480	0.773	50	30		ECEARO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000330181443	437464418	/nfs/dbraw/zinc/46/44/18/437464418.db2.gz	OBUZQLGZAUZDJO-FXUDXRNXSA-N	1	0	341.452	0.889	50	30		ECEARO
C[NH+]=C(NCCC(=O)NCCOC)N(C)Cc1ccc(OC)cc1	ZINC000073733788	611356985	/nfs/dbraw/zinc/35/69/85/611356985.db2.gz	RCBHXIOXHGRSBS-UHFFFAOYSA-N	1	0	336.436	0.855	50	30		ECEARO
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000408028071	300277315	/nfs/dbraw/zinc/27/73/15/300277315.db2.gz	OBPYFYMXJNRPEW-LSDHHAIUSA-N	1	0	328.482	0.578	50	30		ECEARO
C#CCOc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1	ZINC000071897744	436028257	/nfs/dbraw/zinc/02/82/57/436028257.db2.gz	SCOPCXGWHASETQ-QGZVFWFLSA-N	1	0	344.459	0.786	50	30		ECEARO
C#CCN1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000075138071	436151473	/nfs/dbraw/zinc/15/14/73/436151473.db2.gz	QDWNDXCLVNCKMW-QZTJIDSGSA-N	1	0	334.508	0.862	50	30		ECEARO
Cn1c(NC[C@H](c2ccsc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000026720538	436166606	/nfs/dbraw/zinc/16/66/06/436166606.db2.gz	WHWMZIVAAXVRNY-GFCCVEGCSA-N	1	0	333.417	0.732	50	30		ECEARO
CN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059077	436189734	/nfs/dbraw/zinc/18/97/34/436189734.db2.gz	DQMQKTSNVQRIKU-BBRMVZONSA-N	1	0	330.392	0.407	50	30		ECEARO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055199	436189974	/nfs/dbraw/zinc/18/99/74/436189974.db2.gz	MEWXNCJWENCFFB-NVXWUHKLSA-N	1	0	349.479	0.233	50	30		ECEARO
Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064390	436192297	/nfs/dbraw/zinc/19/22/97/436192297.db2.gz	NSFLQGSWGSNPMC-OAHLLOKOSA-N	1	0	340.383	0.450	50	30		ECEARO
COCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C#N)cc1	ZINC000033032646	436249662	/nfs/dbraw/zinc/24/96/62/436249662.db2.gz	BIENUMWFQPEBEY-UHFFFAOYSA-N	1	0	344.415	0.469	50	30		ECEARO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1	ZINC000091540776	436453273	/nfs/dbraw/zinc/45/32/73/436453273.db2.gz	KHTZAXBQQNDZLN-GOSISDBHSA-N	1	0	347.507	0.706	50	30		ECEARO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1	ZINC000095987273	436502899	/nfs/dbraw/zinc/50/28/99/436502899.db2.gz	CLAQFBBINYNFFA-LSDHHAIUSA-N	1	0	348.472	0.771	50	30		ECEARO
C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200785	436702087	/nfs/dbraw/zinc/70/20/87/436702087.db2.gz	HRPMWRAJNRUGRL-HOCLYGCPSA-N	1	0	343.431	0.934	50	30		ECEARO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1	ZINC000229579595	436715785	/nfs/dbraw/zinc/71/57/85/436715785.db2.gz	UPZRRJULQGTIGN-MSOLQXFVSA-N	1	0	342.443	0.852	50	30		ECEARO
C[NH+]1CCN(CCNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000170603644	436946334	/nfs/dbraw/zinc/94/63/34/436946334.db2.gz	SDGFJDFNHJIAHA-UHFFFAOYSA-N	1	0	326.397	0.223	50	30		ECEARO
C=CCn1c(C[NH3+])nnc1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000426444519	438059167	/nfs/dbraw/zinc/05/91/67/438059167.db2.gz	JJMGVNMUPPLMTC-PHIMTYICSA-N	1	0	325.438	0.651	50	30		ECEARO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNc1ccc(C#N)cc1	ZINC000585089897	439628279	/nfs/dbraw/zinc/62/82/79/439628279.db2.gz	FKIBQGDFQDLBGE-ZDUSSCGKSA-N	1	0	329.404	0.549	50	30		ECEARO
O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc2c(c1)OCCO2	ZINC000001876789	527195820	/nfs/dbraw/zinc/19/58/20/527195820.db2.gz	RCCMVHGDEJILPB-UHFFFAOYSA-O	1	0	343.359	0.350	50	30		ECEARO
C#CCNC(=O)CN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1	ZINC000097376282	545730740	/nfs/dbraw/zinc/73/07/40/545730740.db2.gz	WDGPWKIIWKVOLE-SFHVURJKSA-N	1	0	346.475	0.145	50	30		ECEARO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1	ZINC000097376281	545731513	/nfs/dbraw/zinc/73/15/13/545731513.db2.gz	WDGPWKIIWKVOLE-GOSISDBHSA-N	1	0	346.475	0.145	50	30		ECEARO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)c1	ZINC000078602884	217084293	/nfs/dbraw/zinc/08/42/93/217084293.db2.gz	IQAUNUIBHGEIPB-MRXNPFEDSA-N	1	0	329.400	0.833	50	30		ECEARO
C=CCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1	ZINC000091604913	218031673	/nfs/dbraw/zinc/03/16/73/218031673.db2.gz	OCEGBVZNUPKVJC-CQSZACIVSA-N	1	0	337.445	0.975	50	30		ECEARO
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1[NH+]1CCN(C)CC1	ZINC000408028069	297040402	/nfs/dbraw/zinc/04/04/02/297040402.db2.gz	OBPYFYMXJNRPEW-HUUCEWRRSA-N	1	0	328.482	0.578	50	30		ECEARO
CN(CCC#N)S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000069670283	435957805	/nfs/dbraw/zinc/95/78/05/435957805.db2.gz	XXNVEVUYNGZLBX-UHFFFAOYSA-N	1	0	340.449	0.807	50	30		ECEARO
N#Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000072269223	436040181	/nfs/dbraw/zinc/04/01/81/436040181.db2.gz	SBKIFVYZGWNQMN-IRXDYDNUSA-N	1	0	329.400	0.995	50	30		ECEARO
Cn1c(NC[C@H](c2ccccc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012808069	436057347	/nfs/dbraw/zinc/05/73/47/436057347.db2.gz	NLXBTJOQCCPMTR-CQSZACIVSA-N	1	0	327.388	0.670	50	30		ECEARO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1	ZINC000044949629	436357349	/nfs/dbraw/zinc/35/73/49/436357349.db2.gz	KOUGYEJOTYPSAB-SJORKVTESA-N	1	0	346.431	0.632	50	30		ECEARO
CCNC(NCCC(=O)N1CCN(c2ccccn2)CC1)=[NH+]CC	ZINC000195529793	436693847	/nfs/dbraw/zinc/69/38/47/436693847.db2.gz	VNWWBFPTHYDLBX-UHFFFAOYSA-N	1	0	332.452	0.695	50	30		ECEARO
C[N@@H+]1CCN2C[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000067846652	436725889	/nfs/dbraw/zinc/72/58/89/436725889.db2.gz	OLMLDIHARBQRBC-KBPBESRZSA-N	1	0	331.416	0.520	50	30		ECEARO
CC[NH+]=C(NCCc1csc(C)n1)NCCN1CCOCC1	ZINC000170626655	436948006	/nfs/dbraw/zinc/94/80/06/436948006.db2.gz	MMZCLGYHTUJDQS-UHFFFAOYSA-N	1	0	325.482	0.881	50	30		ECEARO
CS(=O)(=O)NCCCNC(NCCc1ccccc1)=[NH+]C1CC1	ZINC000078808760	611887052	/nfs/dbraw/zinc/88/70/52/611887052.db2.gz	BWRVKDOUVOVYNC-UHFFFAOYSA-N	1	0	338.477	0.866	50	30		ECEARO
CN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000047011503	213826095	/nfs/dbraw/zinc/82/60/95/213826095.db2.gz	GSGUEIQGDYHARV-INIZCTEOSA-N	1	0	328.416	0.927	50	30		ECEARO
COCCC[N@@H+]1CC[C@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1	ZINC000067489505	215153710	/nfs/dbraw/zinc/15/37/10/215153710.db2.gz	LTDMOOZGPBDIGT-ZDUSSCGKSA-N	1	0	342.399	0.920	50	30		ECEARO
C#CCN1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3cnon3)C2)CC1	ZINC000067673669	215179456	/nfs/dbraw/zinc/17/94/56/215179456.db2.gz	XVQSSGRUQSMPFF-AWEZNQCLSA-N	1	0	331.420	0.609	50	30		ECEARO
N#CC1(NC(=O)C[NH2+][C@@H]2CCCN(c3cccnn3)C2)CCCC1	ZINC000069738750	435962249	/nfs/dbraw/zinc/96/22/49/435962249.db2.gz	GHPZXECPHOKPTJ-CQSZACIVSA-N	1	0	328.420	0.988	50	30		ECEARO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)CC1	ZINC000110705711	436628071	/nfs/dbraw/zinc/62/80/71/436628071.db2.gz	MBZVZEQGMPFCBX-GVDBMIGSSA-N	1	0	336.480	0.914	50	30		ECEARO
C[C@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1	ZINC000065512562	436665119	/nfs/dbraw/zinc/66/51/19/436665119.db2.gz	UCPDMSKQBCJBPZ-GDBMZVCRSA-N	1	0	343.431	0.934	50	30		ECEARO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000069456356	436773723	/nfs/dbraw/zinc/77/37/23/436773723.db2.gz	IZTGULYCSNXOAW-CABCVRRESA-N	1	0	345.399	0.925	50	30		ECEARO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000069456353	436774198	/nfs/dbraw/zinc/77/41/98/436774198.db2.gz	IZTGULYCSNXOAW-HUUCEWRRSA-N	1	0	345.399	0.925	50	30		ECEARO
C=CCn1cc(C[NH2+]C[C@@H]2CN(S(C)(=O)=O)CCO2)c(C)n1	ZINC000055166918	519280656	/nfs/dbraw/zinc/28/06/56/519280656.db2.gz	LYHGOUBGIWRZSQ-CQSZACIVSA-N	1	0	328.438	0.128	50	30		ECEARO
C=CCN(c1ccc(C(=O)NCC[NH+](C)C)cc1)S(C)(=O)=O	ZINC000010111629	211148935	/nfs/dbraw/zinc/14/89/35/211148935.db2.gz	PUMOUYYVLYZIGK-UHFFFAOYSA-N	1	0	325.434	0.930	50	30		ECEARO
CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000069626835	435953986	/nfs/dbraw/zinc/95/39/86/435953986.db2.gz	QZPNBLNFIZBRLP-CRAIPNDOSA-N	1	0	336.480	0.819	50	30		ECEARO
C[NH+]=C(NCCN1CCOCC1)NCc1cn(-c2ccccc2)nn1	ZINC000087001630	436395402	/nfs/dbraw/zinc/39/54/02/436395402.db2.gz	RTMPBMRWHNJYDS-UHFFFAOYSA-N	1	0	343.435	0.265	50	30		ECEARO
N#Cc1ccc(NC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)nc1	ZINC000097200716	436541655	/nfs/dbraw/zinc/54/16/55/436541655.db2.gz	IYQGDFDCHXXNJE-CQSZACIVSA-N	1	0	342.403	0.629	50	30		ECEARO
C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000195574128	436693837	/nfs/dbraw/zinc/69/38/37/436693837.db2.gz	QAWPFOYSNWAIGG-UHFFFAOYSA-N	1	0	342.852	0.737	50	30		ECEARO
N#Cc1cccnc1NC[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1	ZINC000065474165	436663571	/nfs/dbraw/zinc/66/35/71/436663571.db2.gz	WNFGTZIXIXARIP-OAHLLOKOSA-N	1	0	343.431	0.936	50	30		ECEARO
CC[C@H](O)C[NH+]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1	ZINC000253433503	436847219	/nfs/dbraw/zinc/84/72/19/436847219.db2.gz	XQDYDEGKKIHPPY-ZDUSSCGKSA-N	1	0	338.433	0.099	50	30		ECEARO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1	ZINC000257366324	436878025	/nfs/dbraw/zinc/87/80/25/436878025.db2.gz	RUGSNVCDMIQJJG-YQQAZPJKSA-N	1	0	336.480	0.552	50	30		ECEARO
Cn1c2ncn(CCC/[NH+]=C3\CCCCCN3C)c2c(=O)n(C)c1=O	ZINC000004167730	210138520	/nfs/dbraw/zinc/13/85/20/210138520.db2.gz	YDRFLWRPIQSMJQ-QGOAFFKASA-N	1	0	346.435	0.728	50	30		ECEARO
Cn1c(NC[C@@H](C2CCCCC2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000045802185	213757822	/nfs/dbraw/zinc/75/78/22/213757822.db2.gz	LLPYIHMTFDOWTL-AWEZNQCLSA-N	1	0	333.436	0.878	50	30		ECEARO
C=CCc1c(C)[nH+]c(N)nc1N1CCN(c2cnn(C)c(=O)c2)CC1	ZINC000095365541	218298104	/nfs/dbraw/zinc/29/81/04/218298104.db2.gz	UVCYOCOMOIVOEQ-UHFFFAOYSA-N	1	0	341.419	0.516	50	30		ECEARO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000330195063	279111522	/nfs/dbraw/zinc/11/15/22/279111522.db2.gz	BJXGKUKOVXBWCT-MGPQQGTHSA-N	1	0	347.481	0.255	50	30		ECEARO
Cn1c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000014166617	436069702	/nfs/dbraw/zinc/06/97/02/436069702.db2.gz	FXBKDXQQZDDIIL-AWEZNQCLSA-N	1	0	339.399	0.642	50	30		ECEARO
CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382672	436410044	/nfs/dbraw/zinc/41/00/44/436410044.db2.gz	KSMIZPSSBNARTM-SFHVURJKSA-N	1	0	344.459	0.288	50	30		ECEARO
Cn1c(N2CC[NH+](CC3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000064129157	436647610	/nfs/dbraw/zinc/64/76/10/436647610.db2.gz	VUNGVFYVLXHSEF-UHFFFAOYSA-N	1	0	345.447	0.658	50	30		ECEARO
N#CC1(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)CCOCC1	ZINC000091644935	612910619	/nfs/dbraw/zinc/91/06/19/612910619.db2.gz	SIYYOMXUAAEERZ-HZPDHXFCSA-N	1	0	335.448	0.860	50	30		ECEARO
N#Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689355	215186540	/nfs/dbraw/zinc/18/65/40/215186540.db2.gz	TVKVSHPKAZWGPO-ZDUSSCGKSA-N	1	0	339.399	0.762	50	30		ECEARO
O=C([C@@H]1CN(Cc2ccc(C#CCCO)cc2)CC[NH2+]1)N1CCCC1	ZINC000072145155	216032211	/nfs/dbraw/zinc/03/22/11/216032211.db2.gz	TWFCBIOKAFJULP-IBGZPJMESA-N	1	0	341.455	0.817	50	30		ECEARO
C#CCOC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020725479	212165432	/nfs/dbraw/zinc/16/54/32/212165432.db2.gz	KVAUOXKLVCFQIM-INIZCTEOSA-N	1	0	332.400	0.544	50	30		ECEARO
CCNC(NCC1CCN(S(=O)(=O)C(F)F)CC1)=[NH+]CC	ZINC000069656082	435957910	/nfs/dbraw/zinc/95/79/10/435957910.db2.gz	HALPODHWEAHWFW-UHFFFAOYSA-N	1	0	326.413	0.826	50	30		ECEARO
CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000069626837	435953435	/nfs/dbraw/zinc/95/34/35/435953435.db2.gz	QZPNBLNFIZBRLP-MAUKXSAKSA-N	1	0	336.480	0.819	50	30		ECEARO
[NH2+]=C(NCCCn1cncn1)N1CCN(c2ccccc2F)CC1	ZINC000072272441	436039755	/nfs/dbraw/zinc/03/97/55/436039755.db2.gz	ZUVYZYZXLZRMCP-UHFFFAOYSA-N	1	0	331.399	0.944	50	30		ECEARO
CCCC[NH+]=C(NCCS(C)(=O)=O)N1CCC(C(=O)OC)CC1	ZINC000072283481	436040604	/nfs/dbraw/zinc/04/06/04/436040604.db2.gz	IDDAUVGYGKTSQT-UHFFFAOYSA-N	1	0	347.481	0.662	50	30		ECEARO
N#Cc1ccc(NC[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1	ZINC000065476519	436662787	/nfs/dbraw/zinc/66/27/87/436662787.db2.gz	AEZVEHDWBLNQQX-INIZCTEOSA-N	1	0	343.431	0.936	50	30		ECEARO
C=CC[S@@](=O)C[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138760660	436663668	/nfs/dbraw/zinc/66/36/68/436663668.db2.gz	LWKOLMADZLFMAF-OCGLXOCMSA-N	1	0	336.457	0.563	50	30		ECEARO
N#Cc1cccnc1NC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1	ZINC000065496889	436665159	/nfs/dbraw/zinc/66/51/59/436665159.db2.gz	CPWJHEYAWMCSGG-CQSZACIVSA-N	1	0	329.404	0.546	50	30		ECEARO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNc1ccc(C#N)cc1	ZINC000585089896	439627325	/nfs/dbraw/zinc/62/73/25/439627325.db2.gz	FKIBQGDFQDLBGE-CYBMUJFWSA-N	1	0	329.404	0.549	50	30		ECEARO
C[NH+]=C(NCCN1CCN(C(C)=O)CC1)NCc1ccc(OC)cc1	ZINC000073320845	611155446	/nfs/dbraw/zinc/15/54/46/611155446.db2.gz	UYJVAONCHYHYHW-UHFFFAOYSA-N	1	0	347.463	0.524	50	30		ECEARO
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C#CC(C)(C)O)o1	ZINC000067725699	276262782	/nfs/dbraw/zinc/26/27/82/276262782.db2.gz	WLAWFGHOWNMADN-YPMHNXCESA-N	1	0	333.388	0.080	50	30		ECEARO
C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc(C#N)nc1)CC2	ZINC000221320743	436701439	/nfs/dbraw/zinc/70/14/39/436701439.db2.gz	DMOKQZVKAJXMLW-UHFFFAOYSA-N	1	0	327.388	0.380	50	30		ECEARO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000257366299	436876058	/nfs/dbraw/zinc/87/60/58/436876058.db2.gz	QXDRPGMGVFCKLY-DYVFJYSZSA-N	1	0	336.436	0.721	50	30		ECEARO
C=CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1	ZINC000022795734	518880768	/nfs/dbraw/zinc/88/07/68/518880768.db2.gz	WPEIJTIXJLRSMU-INIZCTEOSA-N	1	0	348.422	0.533	50	30		ECEARO
COCCC[N@@H+]1CC[C@@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1	ZINC000067489507	215153766	/nfs/dbraw/zinc/15/37/66/215153766.db2.gz	LTDMOOZGPBDIGT-CYBMUJFWSA-N	1	0	342.399	0.920	50	30		ECEARO
COc1nccc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)c1C#N	ZINC000077376776	436234062	/nfs/dbraw/zinc/23/40/62/436234062.db2.gz	CCYJPRTVNHXUSD-KRWDZBQOSA-N	1	0	332.404	0.625	50	30		ECEARO
C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2	ZINC000091706445	436459427	/nfs/dbraw/zinc/45/94/27/436459427.db2.gz	QAAZZPJJIPCPEM-HNNXBMFYSA-N	1	0	335.448	0.782	50	30		ECEARO
C#CC[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(N)=O	ZINC000095467226	436496461	/nfs/dbraw/zinc/49/64/61/436496461.db2.gz	YNEVPKVKLWDPLD-AWEZNQCLSA-N	1	0	329.404	0.437	50	30		ECEARO
C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1	ZINC000065512560	436665096	/nfs/dbraw/zinc/66/50/96/436665096.db2.gz	UCPDMSKQBCJBPZ-GOEBONIOSA-N	1	0	343.431	0.934	50	30		ECEARO
N#Cc1ccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)nc1	ZINC000065513158	436665353	/nfs/dbraw/zinc/66/53/53/436665353.db2.gz	SCGJQDHXAUMCLO-OAHLLOKOSA-N	1	0	329.404	0.546	50	30		ECEARO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000330181444	437464826	/nfs/dbraw/zinc/46/48/26/437464826.db2.gz	OBUZQLGZAUZDJO-YHUYYLMFSA-N	1	0	341.452	0.889	50	30		ECEARO
Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)c1ncc(C#N)cc1C)C2	ZINC000685941896	549728830	/nfs/dbraw/zinc/72/88/30/549728830.db2.gz	CWJPSSXXXGLTSH-CQSZACIVSA-N	1	0	339.403	0.748	50	30		ECEARO
CCS(=O)(=O)NCCCNC(NCc1ccccc1C)=[NH+]C	ZINC000084811595	612098184	/nfs/dbraw/zinc/09/81/84/612098184.db2.gz	GAHQYQYANGHNOE-UHFFFAOYSA-N	1	0	326.466	0.989	50	30		ECEARO
COC(=O)CCn1cc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cn1	ZINC000072137431	216025178	/nfs/dbraw/zinc/02/51/78/216025178.db2.gz	ZQFXSQVNXRICRY-UHFFFAOYSA-N	1	0	326.360	0.608	50	30		ECEARO
C[N@@H+]1CCN(c2ncccc2C#N)C[C@@]12CCC(=O)N(CCO)CC2	ZINC000091621272	218032963	/nfs/dbraw/zinc/03/29/63/218032963.db2.gz	FGKILAMKMUKEFH-SFHVURJKSA-N	1	0	343.431	0.449	50	30		ECEARO
CN(CC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(C#N)cn1	ZINC000069777942	435965333	/nfs/dbraw/zinc/96/53/33/435965333.db2.gz	LVNIAWHEHVDWKJ-UHFFFAOYSA-N	1	0	331.420	0.305	50	30		ECEARO
Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)N(CC#N)CC#N)C2)n1	ZINC000069847591	435970482	/nfs/dbraw/zinc/97/04/82/435970482.db2.gz	GBMAQGPYOFCREM-MRXNPFEDSA-N	1	0	343.435	0.873	50	30		ECEARO
Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000072254076	436037353	/nfs/dbraw/zinc/03/73/53/436037353.db2.gz	PUUJBHCQYHCPNQ-HUUCEWRRSA-N	1	0	327.388	0.803	50	30		ECEARO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300781	436042221	/nfs/dbraw/zinc/04/22/21/436042221.db2.gz	JSVODDWEWCWCMJ-SUMWQHHRSA-N	1	0	334.420	0.497	50	30		ECEARO
Cn1c(NC[C@@H](c2ccccc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012808065	436056007	/nfs/dbraw/zinc/05/60/07/436056007.db2.gz	NLXBTJOQCCPMTR-AWEZNQCLSA-N	1	0	327.388	0.670	50	30		ECEARO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2cnn(C)c2)CC1	ZINC000076021164	436185750	/nfs/dbraw/zinc/18/57/50/436185750.db2.gz	WTXRMHSJHSBYRE-QGZVFWFLSA-N	1	0	335.452	0.967	50	30		ECEARO
CN1CC[NH+](C[C@@H]2CN(C(=O)c3ccccc3C#N)C[C@@H]2CO)CC1	ZINC000092061875	436467776	/nfs/dbraw/zinc/46/77/76/436467776.db2.gz	CSLVHKAKMHAHTD-IAGOWNOFSA-N	1	0	342.443	0.486	50	30		ECEARO
C[NH+](C)CC(=O)N1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1	ZINC000096298208	436530239	/nfs/dbraw/zinc/53/02/39/436530239.db2.gz	VZWZPOSAZOCRHR-SREVYHEPSA-N	1	0	326.400	0.804	50	30		ECEARO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1	ZINC000229306151	436715125	/nfs/dbraw/zinc/71/51/25/436715125.db2.gz	MEWXNCJWENCFFB-RDJZCZTQSA-N	1	0	349.479	0.233	50	30		ECEARO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000253397015	436841550	/nfs/dbraw/zinc/84/15/50/436841550.db2.gz	BYRWWYJJEPCWSC-HUUCEWRRSA-N	1	0	344.481	0.509	50	30		ECEARO
CCn1cc(C#N)c(=O)n(CCCN2CC[NH+](C(C)C)CC2)c1=O	ZINC000188284354	437540591	/nfs/dbraw/zinc/54/05/91/437540591.db2.gz	OAICEXHNXFZTLK-UHFFFAOYSA-N	1	0	333.436	0.318	50	30		ECEARO
CN1CCCNC(=O)C12CC[NH+](Cc1cc(C#CCO)cs1)CC2	ZINC000067674676	215178426	/nfs/dbraw/zinc/17/84/26/215178426.db2.gz	VDNRFPVOVQTPPG-UHFFFAOYSA-N	1	0	347.484	0.878	50	30		ECEARO
C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712802	215191697	/nfs/dbraw/zinc/19/16/97/215191697.db2.gz	NSZDWFONUPDNEI-CQSZACIVSA-N	1	0	333.436	0.948	50	30		ECEARO
CCc1nc(CN(C)[C@@H]2CC[N@H+](CCn3cc(C#N)cn3)C2)no1	ZINC000078891423	217140254	/nfs/dbraw/zinc/14/02/54/217140254.db2.gz	SPJLXSHEBAPNRY-CQSZACIVSA-N	1	0	329.408	0.906	50	30		ECEARO
C=CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963856	211023598	/nfs/dbraw/zinc/02/35/98/211023598.db2.gz	AZTYBWADRLXBRE-INIZCTEOSA-N	1	0	330.432	0.700	50	30		ECEARO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000229969907	289321884	/nfs/dbraw/zinc/32/18/84/289321884.db2.gz	IOPDGKKHBIJUGK-KONPQCLYSA-N	1	0	334.464	0.978	50	30		ECEARO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)cc1	ZINC000071876936	436021546	/nfs/dbraw/zinc/02/15/46/436021546.db2.gz	WBAKJYUQQOQMKK-LSDHHAIUSA-N	1	0	327.388	0.688	50	30		ECEARO
CC(=O)N1CCN(CC[NH+]=C(NCc2ccccc2)N(C)C)CC1	ZINC000072272465	436039663	/nfs/dbraw/zinc/03/96/63/436039663.db2.gz	GDGDLSFLEURTHB-UHFFFAOYSA-N	1	0	331.464	0.858	50	30		ECEARO
C#CCNC(=O)CCNC(NCc1ccccn1)=[NH+]CCCOCC	ZINC000075583210	436167154	/nfs/dbraw/zinc/16/71/54/436167154.db2.gz	FCZOAJNYJVJIIU-UHFFFAOYSA-N	1	0	345.447	0.683	50	30		ECEARO
CN(C)C(=[NH+]Cc1cccnc1N1CCC[C@@H](C(N)=O)C1)N(C)C	ZINC000097212337	436541229	/nfs/dbraw/zinc/54/12/29/436541229.db2.gz	CYPTYNNMHBCRIC-CQSZACIVSA-N	1	0	332.452	0.763	50	30		ECEARO
COc1nccc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000107700654	436614914	/nfs/dbraw/zinc/61/49/14/436614914.db2.gz	TYXLUWRRZACZPG-QGZVFWFLSA-N	1	0	329.404	0.753	50	30		ECEARO
CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H]2C)CC1	ZINC000257365947	436876092	/nfs/dbraw/zinc/87/60/92/436876092.db2.gz	CXULPGMLPOFHBV-HLLBOEOZSA-N	1	0	349.479	0.231	50	30		ECEARO
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1	ZINC000328650845	437247477	/nfs/dbraw/zinc/24/74/77/437247477.db2.gz	BEGYFNPTSZEPGE-OLZOCXBDSA-N	1	0	333.454	0.130	50	30		ECEARO
[NH2+]=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2nccs2)CC1	ZINC000170593348	609750814	/nfs/dbraw/zinc/75/08/14/609750814.db2.gz	ONSBQSNLHRSRJJ-LBPRGKRZSA-N	1	0	348.476	0.591	50	30		ECEARO
N#Cc1cc2c(ccn(CCC[N@H+]3CCCC[C@H]3CO)c2=O)[nH]c1=O	ZINC000067843360	609767425	/nfs/dbraw/zinc/76/74/25/609767425.db2.gz	PCKPWKIVRCMGBB-AWEZNQCLSA-N	1	0	342.399	0.798	50	30		ECEARO
COCCC[NH+]=C(NCCOC)NCc1ccnc(-n2cccn2)c1	ZINC000095962614	755137629	/nfs/dbraw/zinc/13/76/29/755137629.db2.gz	PMORUMRNZDGDRB-UHFFFAOYSA-N	1	0	346.435	0.985	50	30		ECEARO
C[NH+](C)CCCN1CNC(=NS(=O)(=O)c2ccccc2)NC1	ZINC000022607942	212309886	/nfs/dbraw/zinc/30/98/86/212309886.db2.gz	NKDAXDHRZUTKIP-UHFFFAOYSA-N	1	0	325.438	0.093	50	30		ECEARO
CC[NH+]1CCN(c2c(C#N)c3c(c4nncn42)CN(C)CC3)CC1	ZINC000013734090	436066471	/nfs/dbraw/zinc/06/64/71/436066471.db2.gz	UGKNRPAXJOWOTO-UHFFFAOYSA-N	1	0	325.420	0.731	50	30		ECEARO
CN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059070	436189622	/nfs/dbraw/zinc/18/96/22/436189622.db2.gz	DQMQKTSNVQRIKU-CJNGLKHVSA-N	1	0	330.392	0.407	50	30		ECEARO
[NH2+]=C(NCCN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000095948330	436499621	/nfs/dbraw/zinc/49/96/21/436499621.db2.gz	BXOPLTWNAFFZJB-UHFFFAOYSA-N	1	0	335.427	0.595	50	30		ECEARO
N#Cc1ccc(NC[C@@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)nc1	ZINC000097200715	436541046	/nfs/dbraw/zinc/54/10/46/436541046.db2.gz	IYQGDFDCHXXNJE-AWEZNQCLSA-N	1	0	342.403	0.629	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@](C)(CO)C2)CC1	ZINC000253370056	436839143	/nfs/dbraw/zinc/83/91/43/436839143.db2.gz	LMMCGHNVDCBIOO-WMZOPIPTSA-N	1	0	336.480	0.773	50	30		ECEARO
Cc1noc([C@]23CN(c4ncncc4C#N)C[C@H]2C[N@H+](C)CC3)n1	ZINC000685940861	549727151	/nfs/dbraw/zinc/72/71/51/549727151.db2.gz	XQTNTPKWKQRKAE-CZUORRHYSA-N	1	0	325.376	0.749	50	30		ECEARO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)c1	ZINC000078602883	217083650	/nfs/dbraw/zinc/08/36/50/217083650.db2.gz	IQAUNUIBHGEIPB-INIZCTEOSA-N	1	0	329.400	0.833	50	30		ECEARO
COc1ccc(N[C@H]2CCCN(C(=O)CN3CC(=O)[O+]=N3)C2)cc1	ZINC000012434634	211379056	/nfs/dbraw/zinc/37/90/56/211379056.db2.gz	GUPBHGYMIVVKQC-ZDUSSCGKSA-O	1	0	333.368	0.779	50	30		ECEARO
COc1nccc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000092065432	218113172	/nfs/dbraw/zinc/11/31/72/218113172.db2.gz	TYXLUWRRZACZPG-KRWDZBQOSA-N	1	0	329.404	0.753	50	30		ECEARO
O=C(C[n+]1c2ccccc2n2c1SC[C@@H](O)C2)N1CCOCC1	ZINC000005741296	435991497	/nfs/dbraw/zinc/99/14/97/435991497.db2.gz	GXJFKIAWDQNANO-LBPRGKRZSA-N	1	0	334.421	0.254	50	30		ECEARO
Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064389	436192502	/nfs/dbraw/zinc/19/25/02/436192502.db2.gz	NSFLQGSWGSNPMC-HNNXBMFYSA-N	1	0	340.383	0.450	50	30		ECEARO
COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602759	436273329	/nfs/dbraw/zinc/27/33/29/436273329.db2.gz	IESOZFCSJOZLTH-MRXNPFEDSA-N	1	0	344.415	0.918	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000065410699	436659888	/nfs/dbraw/zinc/65/98/88/436659888.db2.gz	SEYYYLNCYRXYGT-UHFFFAOYSA-N	1	0	339.395	0.744	50	30		ECEARO
N#Cc1cccnc1NC[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1	ZINC000065474163	436662740	/nfs/dbraw/zinc/66/27/40/436662740.db2.gz	WNFGTZIXIXARIP-HNNXBMFYSA-N	1	0	343.431	0.936	50	30		ECEARO
C=CC[S@](=O)C[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138804916	436662884	/nfs/dbraw/zinc/66/28/84/436662884.db2.gz	LWKOLMADZLFMAF-WBVLODKDSA-N	1	0	336.457	0.563	50	30		ECEARO
CON=CC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000606445832	439409196	/nfs/dbraw/zinc/40/91/96/439409196.db2.gz	UFIGXKSJYJSISF-UHFFFAOYSA-N	1	0	346.387	0.305	50	30		ECEARO
C[C@](O)(C[C@H](O)CN1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846191	439710690	/nfs/dbraw/zinc/71/06/90/439710690.db2.gz	NDTNBXGWCDNRCS-WMZOPIPTSA-N	1	0	330.432	0.987	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)COc2ccccc2)CC1	ZINC000057170211	518269398	/nfs/dbraw/zinc/26/93/98/518269398.db2.gz	LMIXIIOXMJXPEE-UHFFFAOYSA-N	1	0	343.427	0.643	50	30		ECEARO
C[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000070007271	435982011	/nfs/dbraw/zinc/98/20/11/435982011.db2.gz	PSWMVJNKEBTHBZ-UHFFFAOYSA-N	1	0	349.822	0.514	50	30		ECEARO
CCN1CCc2c(C#N)c(NCC[NH3+])nc(N3CCOCC3)c2C1	ZINC000013763676	436064656	/nfs/dbraw/zinc/06/46/56/436064656.db2.gz	LZWKPSCUJIBFRA-UHFFFAOYSA-N	1	0	330.436	0.538	50	30		ECEARO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000097230964	436541400	/nfs/dbraw/zinc/54/14/00/436541400.db2.gz	YYOIKQBRHFRSLR-SJORKVTESA-N	1	0	346.406	0.601	50	30		ECEARO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000253421613	436842938	/nfs/dbraw/zinc/84/29/38/436842938.db2.gz	YWBKMMYWBUXIRI-OWCLPIDISA-N	1	0	335.448	0.733	50	30		ECEARO
CN1CCN(c2ncccc2CNC(=[NH2+])NC[C@H]2CCCO2)CC1	ZINC000058380021	609727616	/nfs/dbraw/zinc/72/76/16/609727616.db2.gz	BMYBCNJFCFGZLT-OAHLLOKOSA-N	1	0	332.452	0.417	50	30		ECEARO
C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1cc2ccccc2o1	ZINC000097212815	734801252	/nfs/dbraw/zinc/80/12/52/734801252.db2.gz	FFERZSPFOJKMJO-UHFFFAOYSA-N	1	0	338.433	0.989	50	30		ECEARO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1	ZINC000071882567	436025452	/nfs/dbraw/zinc/02/54/52/436025452.db2.gz	FMRXOMYMWNNAHX-CQSZACIVSA-N	1	0	344.481	0.360	50	30		ECEARO
Cn1c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012899790	436057532	/nfs/dbraw/zinc/05/75/32/436057532.db2.gz	GFAGBKSGSKLBLN-CQSZACIVSA-N	1	0	341.415	0.540	50	30		ECEARO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000096418149	436532144	/nfs/dbraw/zinc/53/21/44/436532144.db2.gz	UZXAAIKSYRXBQA-HNNXBMFYSA-N	1	0	342.443	0.606	50	30		ECEARO
CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452874	436532977	/nfs/dbraw/zinc/53/29/77/436532977.db2.gz	MWJKIUCIHKGPBH-OAHLLOKOSA-N	1	0	333.392	0.511	50	30		ECEARO
CCOC(=O)C=C1CC(=O)N=C(NC(=[NH2+])Nc2ccc(OC)cc2)N1	ZINC000015986211	520905287	/nfs/dbraw/zinc/90/52/87/520905287.db2.gz	LDBUDXIGYGJEKA-UHFFFAOYSA-N	1	0	345.359	0.942	50	30		ECEARO
CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1	ZINC000023624943	522674906	/nfs/dbraw/zinc/67/49/06/522674906.db2.gz	WGLDVTZVGUSDGV-SFHVURJKSA-N	1	0	332.448	0.819	50	30		ECEARO
COCCNC(=O)CCNC(NCCc1ccccn1)=[NH+]C(C)C	ZINC000072612438	611054097	/nfs/dbraw/zinc/05/40/97/611054097.db2.gz	MKEGBRJAEYDNPS-UHFFFAOYSA-N	1	0	335.452	0.720	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1	ZINC000252586952	280134658	/nfs/dbraw/zinc/13/46/58/280134658.db2.gz	URDBBOCUWCTXQY-SQNIBIBYSA-N	1	0	347.507	0.847	50	30		ECEARO
CC(C)(C)[C@@H](O)C[NH+]1CCN(CCC(=O)N(CC#N)CC#N)CC1	ZINC000069653289	435954809	/nfs/dbraw/zinc/95/48/09/435954809.db2.gz	XDSGNWXYXSQLJU-HNNXBMFYSA-N	1	0	335.452	0.277	50	30		ECEARO
COc1cc(NC(=O)C[n+]2cccc(C(N)=O)c2)cc(OC)c1OC	ZINC000013135253	436059967	/nfs/dbraw/zinc/05/99/67/436059967.db2.gz	IBNOPTCWZGIMQH-UHFFFAOYSA-O	1	0	346.363	0.738	50	30		ECEARO
C#CCOC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097503	436256592	/nfs/dbraw/zinc/25/65/92/436256592.db2.gz	SGDFAFOASAEXHQ-KRWDZBQOSA-N	1	0	336.432	0.733	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1	ZINC000091577565	436453983	/nfs/dbraw/zinc/45/39/83/436453983.db2.gz	URDBBOCUWCTXQY-KSZLIROESA-N	1	0	347.507	0.847	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)c2ccc(OC)cc2)CC1	ZINC000057177599	436606846	/nfs/dbraw/zinc/60/68/46/436606846.db2.gz	UBFWYXOEFWXLLN-UHFFFAOYSA-N	1	0	343.427	0.886	50	30		ECEARO
C[N@@H+]1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1	ZINC000068604556	436751046	/nfs/dbraw/zinc/75/10/46/436751046.db2.gz	QVGPHFNULFRXPE-UHFFFAOYSA-N	1	0	331.468	0.189	50	30		ECEARO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1	ZINC000257366323	436877655	/nfs/dbraw/zinc/87/76/55/436877655.db2.gz	RUGSNVCDMIQJJG-HLLBOEOZSA-N	1	0	336.480	0.552	50	30		ECEARO
C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(S(=O)(=O)NC)nc1	ZINC000576099542	438767713	/nfs/dbraw/zinc/76/77/13/438767713.db2.gz	ADZRDMAEYKWZOL-UHFFFAOYSA-N	1	0	340.449	0.570	50	30		ECEARO
C=CCN1C[C@@H](C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)CC1=O	ZINC000067947653	215255688	/nfs/dbraw/zinc/25/56/88/215255688.db2.gz	RPCLOCCQTMYFRI-INIZCTEOSA-N	1	0	348.491	0.649	50	30		ECEARO
C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1	ZINC000023421856	212377308	/nfs/dbraw/zinc/37/73/08/212377308.db2.gz	JLRTXDMOBBOSPB-UHFFFAOYSA-N	1	0	337.445	0.975	50	30		ECEARO
C=CCN1CC[C@]2(CN(Cc3ncnn3CC)CC[N@@H+]2C)CCC1=O	ZINC000092106906	218120745	/nfs/dbraw/zinc/12/07/45/218120745.db2.gz	OUVADKPFVJZEDR-SFHVURJKSA-N	1	0	346.479	0.983	50	30		ECEARO
Cn1c(NC[C@H](c2ccco2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000028749759	294165188	/nfs/dbraw/zinc/16/51/88/294165188.db2.gz	CWVRAZPZGWCMKM-CYBMUJFWSA-N	1	0	343.387	0.798	50	30		ECEARO
C=CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1	ZINC000069739505	435962903	/nfs/dbraw/zinc/96/29/03/435962903.db2.gz	VCLIYAGZVSQARA-KRWDZBQOSA-N	1	0	338.496	0.799	50	30		ECEARO
N#Cc1ccnc(N2CC[NH+](CCC(=O)N3CCOCC3)CC2)c1	ZINC000044944032	436355912	/nfs/dbraw/zinc/35/59/12/436355912.db2.gz	YWHCBQRCEKENAT-UHFFFAOYSA-N	1	0	329.404	0.324	50	30		ECEARO
Cn1c(NCCC[N@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000048333105	436449625	/nfs/dbraw/zinc/44/96/25/436449625.db2.gz	GRXLLSQJEDQLHO-UHFFFAOYSA-N	1	0	341.415	0.890	50	30		ECEARO
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000096421251	436531598	/nfs/dbraw/zinc/53/15/98/436531598.db2.gz	WZCCUKKPVROYRW-CQSZACIVSA-N	1	0	336.461	0.614	50	30		ECEARO
N#Cc1cccnc1NC[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1	ZINC000065496854	436664651	/nfs/dbraw/zinc/66/46/51/436664651.db2.gz	SYJHSGGXODPSTJ-ZDUSSCGKSA-N	1	0	342.403	0.629	50	30		ECEARO
CC(=NNC(N)=[NH2+])c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000254703012	436850139	/nfs/dbraw/zinc/85/01/39/436850139.db2.gz	KQJBWLUCXKXODC-UHFFFAOYSA-N	1	0	335.389	0.965	50	30		ECEARO
N#Cc1ccnc(N2CCC3(CC[NH+](CC(N)=O)CC3)[C@@H](CO)C2)c1	ZINC000097636671	219043411	/nfs/dbraw/zinc/04/34/11/219043411.db2.gz	DSKUESUSVWBXTE-OAHLLOKOSA-N	1	0	343.431	0.339	50	30		ECEARO
COCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602758	217084242	/nfs/dbraw/zinc/08/42/42/217084242.db2.gz	IESOZFCSJOZLTH-INIZCTEOSA-N	1	0	344.415	0.918	50	30		ECEARO
C=CCc1c(C)[nH+]c(N)nc1N1CCN(C(=O)N2CCOCC2)CC1	ZINC000095387678	218319517	/nfs/dbraw/zinc/31/95/17/218319517.db2.gz	MMCQDRLXAHPDTQ-UHFFFAOYSA-N	1	0	346.435	0.670	50	30		ECEARO
CC[NH+]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000097286729	219009161	/nfs/dbraw/zinc/00/91/61/219009161.db2.gz	KLGAAGBEVPHZJG-UHFFFAOYSA-N	1	0	346.435	0.141	50	30		ECEARO
CC(C)c1nc2n(n1)C[C@H]([NH2+]CCC(=O)N(CC#N)CC#N)CC2	ZINC000071871843	436022639	/nfs/dbraw/zinc/02/26/39/436022639.db2.gz	BNDPCGIWGACUHC-CYBMUJFWSA-N	1	0	329.408	0.572	50	30		ECEARO
CS(=O)(=O)NCCc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1	ZINC000029456597	436202451	/nfs/dbraw/zinc/20/24/51/436202451.db2.gz	JAZLAKAPIJIYGM-UHFFFAOYSA-N	1	0	339.446	0.807	50	30		ECEARO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)CCC#N	ZINC000078897063	436283043	/nfs/dbraw/zinc/28/30/43/436283043.db2.gz	WCOQVVVLBPADHA-MJBXVCDLSA-N	1	0	344.481	0.397	50	30		ECEARO
N#Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)cc1	ZINC000046085751	436385301	/nfs/dbraw/zinc/38/53/01/436385301.db2.gz	RMHUBLCKRTUHGC-UHFFFAOYSA-N	1	0	328.416	0.929	50	30		ECEARO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(CO)C2)CC1	ZINC000089263637	436405973	/nfs/dbraw/zinc/40/59/73/436405973.db2.gz	LMMCGHNVDCBIOO-SJLPKXTDSA-N	1	0	336.480	0.773	50	30		ECEARO
Cc1c(C[NH2+]CCN2CCN(c3ncccn3)CC2)cc(C#N)n1C	ZINC000048310692	436450061	/nfs/dbraw/zinc/45/00/61/436450061.db2.gz	YSFWZLWOVDGTJS-UHFFFAOYSA-N	1	0	339.447	0.907	50	30		ECEARO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476418	436663049	/nfs/dbraw/zinc/66/30/49/436663049.db2.gz	HRPMWRAJNRUGRL-GDBMZVCRSA-N	1	0	343.431	0.934	50	30		ECEARO
N#Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c(F)c1	ZINC000237715823	436743716	/nfs/dbraw/zinc/74/37/16/436743716.db2.gz	CMOFSYYBKBKAOM-UHFFFAOYSA-N	1	0	326.397	0.271	50	30		ECEARO
CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccccc2OC)n1	ZINC000020064248	520904101	/nfs/dbraw/zinc/90/41/01/520904101.db2.gz	WLFWTNUEPUYITI-UHFFFAOYSA-N	1	0	345.359	0.942	50	30		ECEARO
CCOC(=O)C=C(N)[NH2+]Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000019898880	212080795	/nfs/dbraw/zinc/08/07/95/212080795.db2.gz	ADDQJNJMNNBKOX-UHFFFAOYSA-N	1	0	344.349	0.636	50	30		ECEARO
CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)NC2(C#N)CCCC2)CC1	ZINC000069627818	435955055	/nfs/dbraw/zinc/95/50/55/435955055.db2.gz	QXMCYDDPOHKFGN-OAHLLOKOSA-N	1	0	336.480	0.964	50	30		ECEARO
CC[C@@H](C)NC(=O)CCNC(NCCN1CCOCC1)=[NH+]C1CC1	ZINC000073373874	436074321	/nfs/dbraw/zinc/07/43/21/436074321.db2.gz	PXXMOBJPQFZNJZ-CQSZACIVSA-N	1	0	339.484	0.321	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1	ZINC000195549377	436694044	/nfs/dbraw/zinc/69/40/44/436694044.db2.gz	URDBBOCUWCTXQY-BZSNNMDCSA-N	1	0	347.507	0.847	50	30		ECEARO
C[C@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000222200572	436702228	/nfs/dbraw/zinc/70/22/28/436702228.db2.gz	UCPDMSKQBCJBPZ-ZBFHGGJFSA-N	1	0	343.431	0.934	50	30		ECEARO
CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)N1CCNC[C@@H]1C#N)C2	ZINC000888097470	586350068	/nfs/dbraw/zinc/35/00/68/586350068.db2.gz	KRJZJXWJBISKRU-AWEZNQCLSA-N	1	0	344.463	0.616	50	30		ECEARO
CN1CC[C@]2(CN(C(=O)C3(C#N)CCOCC3)CC[N@@H+]2C)CCC1=O	ZINC000095387230	218319114	/nfs/dbraw/zinc/31/91/14/218319114.db2.gz	DVIXOFKOASDICH-SFHVURJKSA-N	1	0	348.447	0.462	50	30		ECEARO
O=C(C[n+]1c2ccccc2n2c1SC[C@H](O)C2)N1CCOCC1	ZINC000005741295	435991246	/nfs/dbraw/zinc/99/12/46/435991246.db2.gz	GXJFKIAWDQNANO-GFCCVEGCSA-N	1	0	334.421	0.254	50	30		ECEARO
Cn1c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000014166614	436071172	/nfs/dbraw/zinc/07/11/72/436071172.db2.gz	FXBKDXQQZDDIIL-CQSZACIVSA-N	1	0	339.399	0.642	50	30		ECEARO
NC(=NOCC(=O)NC1CC1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000065563308	436667646	/nfs/dbraw/zinc/66/76/46/436667646.db2.gz	PMXGTMPFYQHDCP-UHFFFAOYSA-N	1	0	346.431	0.559	50	30		ECEARO
CN(C)C(=O)COc1cccc(NC(=O)NCC#CC[NH+](C)C)c1	ZINC000864060162	590053374	/nfs/dbraw/zinc/05/33/74/590053374.db2.gz	ACGUOFYHGUYOLZ-UHFFFAOYSA-N	1	0	332.404	0.840	50	30		ECEARO
C[NH+]=C(NCCC(=O)NCc1ccccc1)N1CCN(C(C)=O)CC1	ZINC000095350511	754130087	/nfs/dbraw/zinc/13/00/87/754130087.db2.gz	UMJOCOVJQBXJKN-UHFFFAOYSA-N	1	0	345.447	0.432	50	30		ECEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(C)C(=O)[C@@H]32)C1=O	ZINC000103010902	219247479	/nfs/dbraw/zinc/24/74/79/219247479.db2.gz	WKEYEADUZFQINL-LHBFCCHGSA-N	1	0	325.368	0.637	50	30		ECEARO
O=C([C@H]1CN(Cc2ccc(C#CCCO)cc2)CC[NH2+]1)N1CCCC1	ZINC000072145156	216032507	/nfs/dbraw/zinc/03/25/07/216032507.db2.gz	TWFCBIOKAFJULP-LJQANCHMSA-N	1	0	341.455	0.817	50	30		ECEARO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(c2ccccn2)C1	ZINC000195563381	241011543	/nfs/dbraw/zinc/01/15/43/241011543.db2.gz	OHSYYBQLDUJAMX-HNNXBMFYSA-N	1	0	346.479	0.940	50	30		ECEARO
C[NH+]=C(NCCc1ccc(OC)c(F)c1)NCCN1CCOCC1	ZINC000075583813	436167363	/nfs/dbraw/zinc/16/73/63/436167363.db2.gz	XVJOYKSUKIMTAE-UHFFFAOYSA-N	1	0	338.427	0.874	50	30		ECEARO
CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1ccc(OC)nc1	ZINC000075583749	436167504	/nfs/dbraw/zinc/16/75/04/436167504.db2.gz	KMHRDDBLHMHFMR-UHFFFAOYSA-N	1	0	329.426	0.488	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1	ZINC000091577562	436454130	/nfs/dbraw/zinc/45/41/30/436454130.db2.gz	URDBBOCUWCTXQY-KURKYZTESA-N	1	0	347.507	0.847	50	30		ECEARO
C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000222200523	436702367	/nfs/dbraw/zinc/70/23/67/436702367.db2.gz	UCPDMSKQBCJBPZ-HOCLYGCPSA-N	1	0	343.431	0.934	50	30		ECEARO
C[C@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1	ZINC000328594999	437237426	/nfs/dbraw/zinc/23/74/26/437237426.db2.gz	IDEYABWEBCKMBW-GFCCVEGCSA-N	1	0	326.422	0.463	50	30		ECEARO
CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469774	548017792	/nfs/dbraw/zinc/01/77/92/548017792.db2.gz	AWIZCWHEJWLYQA-MRXNPFEDSA-N	1	0	331.420	0.986	50	30		ECEARO
C[C@H]([NH+]=C(NCCS(C)(=O)=O)NCc1ccco1)[C@H]1CCCO1	ZINC000078751765	611869629	/nfs/dbraw/zinc/86/96/29/611869629.db2.gz	BZFCGEXVUKSKGM-GXTWGEPZSA-N	1	0	343.449	0.927	50	30		ECEARO
C#CCOc1cccc(NC(=O)C(=O)NCCN2CC[NH+](C)CC2)c1	ZINC000071913650	436030557	/nfs/dbraw/zinc/03/05/57/436030557.db2.gz	SZVJFVULZZYHDH-UHFFFAOYSA-N	1	0	344.415	0.001	50	30		ECEARO
CN(CC(=O)NCC#CC[N@H+](C)Cc1ccccc1)S(C)(=O)=O	ZINC000075165159	436155260	/nfs/dbraw/zinc/15/52/60/436155260.db2.gz	CWWBDQQTTSZYSZ-UHFFFAOYSA-N	1	0	337.445	0.129	50	30		ECEARO
CCCC[NH+]=C(NCCOC)NCCC(=O)N1CCN(C)CC1	ZINC000075583038	436166477	/nfs/dbraw/zinc/16/64/77/436166477.db2.gz	TVBJLGYIQAHBLG-UHFFFAOYSA-N	1	0	327.473	0.132	50	30		ECEARO
N#Cc1cc(F)cc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077355871	436233232	/nfs/dbraw/zinc/23/32/32/436233232.db2.gz	LCPHTAGNIYZZMO-GOSISDBHSA-N	1	0	347.390	0.997	50	30		ECEARO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)cc1	ZINC000048237284	436444401	/nfs/dbraw/zinc/44/44/01/436444401.db2.gz	PMIMDNMMAJLZHI-IBGZPJMESA-N	1	0	344.459	0.369	50	30		ECEARO
CN(C(=[NH2+])NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1	ZINC000181472760	437322511	/nfs/dbraw/zinc/32/25/11/437322511.db2.gz	GZNNMWWWGKCJJG-UHFFFAOYSA-N	1	0	330.436	0.529	50	30		ECEARO
COc1cc(C=NNC(N)=[NH2+])cc(I)c1O	ZINC000098087432	219082057	/nfs/dbraw/zinc/08/20/57/219082057.db2.gz	IAARJPVOQACLTR-PQMHYQBVSA-N	1	0	334.117	0.822	50	30		ECEARO
N#Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689354	215185780	/nfs/dbraw/zinc/18/57/80/215185780.db2.gz	TVKVSHPKAZWGPO-CYBMUJFWSA-N	1	0	339.399	0.762	50	30		ECEARO
Cc1cc(C)nc(NC(=[NH2+])NCCc2ccc(S(N)(=O)=O)cc2)n1	ZINC000036145157	213072876	/nfs/dbraw/zinc/07/28/76/213072876.db2.gz	BNRHJMJGPCLOHY-UHFFFAOYSA-N	1	0	348.432	0.519	50	30		ECEARO
CC[N@H+](CCO)C[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1CO	ZINC000091391348	218001276	/nfs/dbraw/zinc/00/12/76/218001276.db2.gz	IQOFHYOKGJNNQK-HZPDHXFCSA-N	1	0	332.448	0.929	50	30		ECEARO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055192	436189745	/nfs/dbraw/zinc/18/97/45/436189745.db2.gz	MEWXNCJWENCFFB-DOTOQJQBSA-N	1	0	349.479	0.233	50	30		ECEARO
COCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C#N)cc1	ZINC000035421753	436256069	/nfs/dbraw/zinc/25/60/69/436256069.db2.gz	WUVQQPJAYUXTCW-UHFFFAOYSA-N	1	0	344.415	0.469	50	30		ECEARO
C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000048302294	436448066	/nfs/dbraw/zinc/44/80/66/436448066.db2.gz	BRUOMBRWHVQWNG-UHFFFAOYSA-N	1	0	342.852	0.737	50	30		ECEARO
COCC[NH+]=C(NCCOC[C@@H]1CCCO1)N[C@H](C)[C@@H]1CCCO1	ZINC000095405742	436494723	/nfs/dbraw/zinc/49/47/23/436494723.db2.gz	JOKATXNCNPIDGH-PMPSAXMXSA-N	1	0	343.468	0.931	50	30		ECEARO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1	ZINC000195549380	436694213	/nfs/dbraw/zinc/69/42/13/436694213.db2.gz	SOLSHSWXSQJRSK-AEFFLSMTSA-N	1	0	342.443	0.710	50	30		ECEARO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21	ZINC000253396990	436841514	/nfs/dbraw/zinc/84/15/14/436841514.db2.gz	BYRWWYJJEPCWSC-CABCVRRESA-N	1	0	344.481	0.509	50	30		ECEARO
CC(=O)N1CCN([C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H]2C)CC1	ZINC000257365948	436876561	/nfs/dbraw/zinc/87/65/61/436876561.db2.gz	CXULPGMLPOFHBV-ZMSDIMECSA-N	1	0	349.479	0.231	50	30		ECEARO
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000408028067	438489595	/nfs/dbraw/zinc/48/95/95/438489595.db2.gz	OBPYFYMXJNRPEW-GJZGRUSLSA-N	1	0	328.482	0.578	50	30		ECEARO
CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1	ZINC000023624941	522674539	/nfs/dbraw/zinc/67/45/39/522674539.db2.gz	WGLDVTZVGUSDGV-GOSISDBHSA-N	1	0	332.448	0.819	50	30		ECEARO
CCN1CCC[C@H]1CNC(NCCS(=O)(=O)CC)=[NH+]CCOC	ZINC000084789126	545712703	/nfs/dbraw/zinc/71/27/03/545712703.db2.gz	AOCGPMMSGQAWAL-AWEZNQCLSA-N	1	0	348.513	0.087	50	30		ECEARO
C=CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000058185371	609724345	/nfs/dbraw/zinc/72/43/45/609724345.db2.gz	VALVVHXOJLDNOO-UHFFFAOYSA-N	1	0	344.462	0.359	50	30		ECEARO
N#Cc1cc2c(ccn(C[C@H](O)C[NH+]3CCCCCC3)c2=O)[nH]c1=O	ZINC000067675610	215181385	/nfs/dbraw/zinc/18/13/85/215181385.db2.gz	NJQYQXZBEPZLQT-CQSZACIVSA-N	1	0	342.399	0.798	50	30		ECEARO
CN(CCC#N)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000069657888	215521021	/nfs/dbraw/zinc/52/10/21/215521021.db2.gz	YURRLIKRWSJKIJ-HNNXBMFYSA-N	1	0	343.497	0.179	50	30		ECEARO
CCc1nnc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)c(C#N)c1CC	ZINC000095412044	218349188	/nfs/dbraw/zinc/34/91/88/218349188.db2.gz	LSMNNPZTVRBBJC-AWEZNQCLSA-N	1	0	346.479	0.518	50	30		ECEARO
CC1(C)Cc2c(C#N)c(NC(=O)C(=O)NCCC[NH3+])sc2CO1	ZINC000006759129	210704323	/nfs/dbraw/zinc/70/43/23/210704323.db2.gz	UMPYRNGNGRFPTH-UHFFFAOYSA-N	1	0	336.417	0.875	50	30		ECEARO
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1[NH+]1CCN(C)CC1	ZINC000408028066	297040493	/nfs/dbraw/zinc/04/04/93/297040493.db2.gz	OBPYFYMXJNRPEW-CABCVRRESA-N	1	0	328.482	0.578	50	30		ECEARO
C=CC[C@@H](NC(C)=O)C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1	ZINC000069741586	435962654	/nfs/dbraw/zinc/96/26/54/435962654.db2.gz	JKLUWBAEIUQPRR-CABCVRRESA-N	1	0	325.453	0.618	50	30		ECEARO
CCCCCCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002193296	435964080	/nfs/dbraw/zinc/96/40/80/435964080.db2.gz	GHMYMBNVKKTJGK-UHFFFAOYSA-N	1	0	348.451	0.803	50	30		ECEARO
CC(C)C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+]1CCCC1	ZINC000044406510	436340994	/nfs/dbraw/zinc/34/09/94/436340994.db2.gz	CDUJOWUNHIKKRZ-CYBMUJFWSA-N	1	0	333.436	0.878	50	30		ECEARO
CN(C)C(=[NH+]Cc1cccnc1N1CCC[C@H](C(N)=O)C1)N(C)C	ZINC000097212336	436541305	/nfs/dbraw/zinc/54/13/05/436541305.db2.gz	CYPTYNNMHBCRIC-AWEZNQCLSA-N	1	0	332.452	0.763	50	30		ECEARO
[NH2+]=C(NCCC(=O)N1CCCC1)N1CCN(c2nccs2)CC1	ZINC000195529961	436694224	/nfs/dbraw/zinc/69/42/24/436694224.db2.gz	KWRQEIYZSXRZNH-UHFFFAOYSA-N	1	0	336.465	0.592	50	30		ECEARO
CCNC(NCCC(=O)N1CCN(c2ncccn2)CC1)=[NH+]CC	ZINC000066246469	436680992	/nfs/dbraw/zinc/68/09/92/436680992.db2.gz	DCLPHHRXFKZFAW-UHFFFAOYSA-N	1	0	333.440	0.090	50	30		ECEARO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1	ZINC000229579609	436715993	/nfs/dbraw/zinc/71/59/93/436715993.db2.gz	UPZRRJULQGTIGN-QZTJIDSGSA-N	1	0	342.443	0.852	50	30		ECEARO
C[C@H]1C[N@H+](CCC(=O)N(CC#N)CC#N)CCN1Cc1nccn1C	ZINC000069455802	436775033	/nfs/dbraw/zinc/77/50/33/436775033.db2.gz	OAAKRMHKPDORRK-HNNXBMFYSA-N	1	0	343.435	0.192	50	30		ECEARO
COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000078602794	202397616	/nfs/dbraw/zinc/39/76/16/202397616.db2.gz	DEUUSDQRMQVQGD-OAHLLOKOSA-N	1	0	330.388	0.724	50	30		ECEARO
NS(=O)(=O)c1ccc(NC(=O)C[n+]2cc3ccccc3cn2)cc1	ZINC000002532619	435969201	/nfs/dbraw/zinc/96/92/01/435969201.db2.gz	ZUVQKUQDCUVBDS-UHFFFAOYSA-O	1	0	343.388	0.808	50	30		ECEARO
Cc1ccc(C#N)c(N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)n1	ZINC000092003163	436465792	/nfs/dbraw/zinc/46/57/92/436465792.db2.gz	YAQQERXXQWXAFB-IAGOWNOFSA-N	1	0	331.464	0.800	50	30		ECEARO
C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1ccc(Cl)s1	ZINC000097002056	436535758	/nfs/dbraw/zinc/53/57/58/436535758.db2.gz	FOWPRKNXALIRJB-UHFFFAOYSA-N	1	0	338.886	0.958	50	30		ECEARO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)[N@H+](C)C1	ZINC000329033497	437306060	/nfs/dbraw/zinc/30/60/60/437306060.db2.gz	XXDJJYTUSXDNGJ-JYJNAYRXSA-N	1	0	340.468	0.810	50	30		ECEARO
CS(=O)(=O)NCCc1ccc(-c2csc(NC(N)=[NH2+])n2)s1	ZINC000029456596	525198699	/nfs/dbraw/zinc/19/86/99/525198699.db2.gz	RUVAIAYLDJXDLO-UHFFFAOYSA-N	1	0	345.475	0.868	50	30		ECEARO
C=CCNC(NC[C@H](C)Cn1cccn1)=[NH+]CCN1CCOCC1	ZINC000073373064	611219743	/nfs/dbraw/zinc/21/97/43/611219743.db2.gz	VYCWEFZLYHKCFK-INIZCTEOSA-N	1	0	334.468	0.573	50	30		ECEARO
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C#CC(C)(C)O)o1	ZINC000067758869	202307373	/nfs/dbraw/zinc/30/73/73/202307373.db2.gz	WLAWFGHOWNMADN-AAEUAGOBSA-N	1	0	333.388	0.080	50	30		ECEARO
C[N@@H+]1CCC[C@@H](C(=O)NCC#CCOc2ccccc2C(N)=O)C1	ZINC000090743719	203010082	/nfs/dbraw/zinc/01/00/82/203010082.db2.gz	XWYQWWGVRKVPEA-CQSZACIVSA-N	1	0	329.400	0.626	50	30		ECEARO
C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000071796032	203114566	/nfs/dbraw/zinc/11/45/66/203114566.db2.gz	VZWZPOSAZOCRHR-VOTSOKGWSA-N	1	0	326.400	0.804	50	30		ECEARO
Cc1[nH]c(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1C#N	ZINC000077505461	203392324	/nfs/dbraw/zinc/39/23/24/203392324.db2.gz	QUWJZBABUCMTBZ-IAGOWNOFSA-N	1	0	339.399	0.955	50	30		ECEARO
CN1CC[C@@]2(CN(C(=O)C3(C#N)CCOCC3)CC[N@@H+]2C)CCC1=O	ZINC000095387231	290007758	/nfs/dbraw/zinc/00/77/58/290007758.db2.gz	DVIXOFKOASDICH-GOSISDBHSA-N	1	0	348.447	0.462	50	30		ECEARO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1	ZINC000071896935	436027811	/nfs/dbraw/zinc/02/78/11/436027811.db2.gz	UPZRRJULQGTIGN-ZWKOTPCHSA-N	1	0	342.443	0.852	50	30		ECEARO
CC[C@H](C)NC(=O)CCNC(NCCN1CCOCC1)=[NH+]C1CC1	ZINC000073373877	436074162	/nfs/dbraw/zinc/07/41/62/436074162.db2.gz	PXXMOBJPQFZNJZ-AWEZNQCLSA-N	1	0	339.484	0.321	50	30		ECEARO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1	ZINC000095987274	436503781	/nfs/dbraw/zinc/50/37/81/436503781.db2.gz	CLAQFBBINYNFFA-GJZGRUSLSA-N	1	0	348.472	0.771	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)CC1	ZINC000110705712	436628545	/nfs/dbraw/zinc/62/85/45/436628545.db2.gz	MBZVZEQGMPFCBX-BBWFWOEESA-N	1	0	336.480	0.914	50	30		ECEARO
C[C@@H]1C[N@H+](CCC(=O)N(CC#N)CC#N)CCN1Cc1nccn1C	ZINC000069455799	436773812	/nfs/dbraw/zinc/77/38/12/436773812.db2.gz	OAAKRMHKPDORRK-OAHLLOKOSA-N	1	0	343.435	0.192	50	30		ECEARO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)N(CC#N)CC#N)n1	ZINC000069521276	436778042	/nfs/dbraw/zinc/77/80/42/436778042.db2.gz	UEKLPTNHEMVNQY-OAHLLOKOSA-N	1	0	329.408	0.625	50	30		ECEARO
C[C@H]([NH+]=C(NCCS(C)(=O)=O)NCc1ccco1)[C@@H]1CCCO1	ZINC000078751754	611869592	/nfs/dbraw/zinc/86/95/92/611869592.db2.gz	BZFCGEXVUKSKGM-JSGCOSHPSA-N	1	0	343.449	0.927	50	30		ECEARO
N#Cc1ccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)nc1	ZINC000097200634	201382242	/nfs/dbraw/zinc/38/22/42/201382242.db2.gz	JKKJJIMROPGGAB-CYBMUJFWSA-N	1	0	328.376	0.239	50	30		ECEARO
N#Cc1ccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)nc1	ZINC000097200633	201382750	/nfs/dbraw/zinc/38/27/50/201382750.db2.gz	JKKJJIMROPGGAB-ZDUSSCGKSA-N	1	0	328.376	0.239	50	30		ECEARO
N#Cc1ccnc(N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000095524420	203757266	/nfs/dbraw/zinc/75/72/66/203757266.db2.gz	LAFNJHITAIQMTR-CQSZACIVSA-N	1	0	334.445	0.946	50	30		ECEARO
OCC#Cc1csc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1	ZINC000011818527	211252997	/nfs/dbraw/zinc/25/29/97/211252997.db2.gz	RGIWVZSRAQHOPH-IAGOWNOFSA-N	1	0	336.457	0.359	50	30		ECEARO
CNC(=[NH2+])N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000097229800	219000335	/nfs/dbraw/zinc/00/03/35/219000335.db2.gz	IFQKMXIJFJOPRZ-UHFFFAOYSA-N	1	0	329.202	0.314	50	30		ECEARO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)N[C@](C)(C#N)C1CC1	ZINC000252517439	289323023	/nfs/dbraw/zinc/32/30/23/289323023.db2.gz	IOPDGKKHBIJUGK-YFHUEUNASA-N	1	0	334.464	0.978	50	30		ECEARO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1	ZINC000071882568	436023912	/nfs/dbraw/zinc/02/39/12/436023912.db2.gz	FMRXOMYMWNNAHX-AWEZNQCLSA-N	1	0	344.481	0.360	50	30		ECEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000085699398	436389979	/nfs/dbraw/zinc/38/99/79/436389979.db2.gz	WKEYEADUZFQINL-AVUWZVCYSA-N	1	0	325.368	0.637	50	30		ECEARO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000044949633	436357769	/nfs/dbraw/zinc/35/77/69/436357769.db2.gz	KOUGYEJOTYPSAB-DLBZAZTESA-N	1	0	346.431	0.632	50	30		ECEARO
COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091586156	436454422	/nfs/dbraw/zinc/45/44/22/436454422.db2.gz	JKXBPNFARMRTTF-IAGOWNOFSA-N	1	0	331.416	0.817	50	30		ECEARO
CCc1nnc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c(C#N)c1CC	ZINC000095412045	436493426	/nfs/dbraw/zinc/49/34/26/436493426.db2.gz	LSMNNPZTVRBBJC-CQSZACIVSA-N	1	0	346.479	0.518	50	30		ECEARO
N#Cc1ccccc1N1CC[NH+](CCC(=O)N2CCOCC2)CC1	ZINC000069324943	436768469	/nfs/dbraw/zinc/76/84/69/436768469.db2.gz	XBYVNISRXJZQKY-UHFFFAOYSA-N	1	0	328.416	0.929	50	30		ECEARO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000253397024	436842124	/nfs/dbraw/zinc/84/21/24/436842124.db2.gz	BYRWWYJJEPCWSC-LSDHHAIUSA-N	1	0	344.481	0.509	50	30		ECEARO
N#Cc1cc2c(ccn(CCC[N@H+]3CCCC[C@@H]3CO)c2=O)[nH]c1=O	ZINC000067843357	609767564	/nfs/dbraw/zinc/76/75/64/609767564.db2.gz	PCKPWKIVRCMGBB-CQSZACIVSA-N	1	0	342.399	0.798	50	30		ECEARO
C[NH+]=C(NCCCOCCOC)NCCNc1ncccc1C#N	ZINC000095397723	754165811	/nfs/dbraw/zinc/16/58/11/754165811.db2.gz	LDUGUXJPJRZOJZ-UHFFFAOYSA-N	1	0	334.424	0.583	50	30		ECEARO
CCCC[NH+]=C(NCCC(=O)NCCC)N1CCC(C(N)=O)CC1	ZINC000069777319	203048525	/nfs/dbraw/zinc/04/85/25/203048525.db2.gz	AEUOAOBHSWOMKS-UHFFFAOYSA-N	1	0	339.484	0.846	50	30		ECEARO
C[NH+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CC1	ZINC000075582781	203319171	/nfs/dbraw/zinc/31/91/71/203319171.db2.gz	LTUZKESJGWFINS-UHFFFAOYSA-N	1	0	330.841	0.946	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)Cc2ccc(F)cc2)CC1	ZINC000065429288	258011805	/nfs/dbraw/zinc/01/18/05/258011805.db2.gz	HGCOFNMIGXRZJZ-UHFFFAOYSA-N	1	0	345.418	0.946	50	30		ECEARO
C=CCc1ccc(OC[C@H](O)C[NH+](CCO)CCO)c(OC)c1	ZINC000002686814	435969234	/nfs/dbraw/zinc/96/92/34/435969234.db2.gz	OFXJOVMIRUXTKK-OAHLLOKOSA-N	1	0	325.405	0.450	50	30		ECEARO
N#CCCN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1	ZINC000075603393	436166722	/nfs/dbraw/zinc/16/67/22/436166722.db2.gz	XAXBAEZWZMWKGB-CYBMUJFWSA-N	1	0	328.376	0.718	50	30		ECEARO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1	ZINC000091580860	436454999	/nfs/dbraw/zinc/45/49/99/436454999.db2.gz	SOLSHSWXSQJRSK-FUHWJXTLSA-N	1	0	342.443	0.710	50	30		ECEARO
CNC(=O)NC(=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000058209319	436621805	/nfs/dbraw/zinc/62/18/05/436621805.db2.gz	AHDZCPKLKHCAKI-UHFFFAOYSA-N	1	0	329.404	0.522	50	30		ECEARO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)N(C)CCC#N	ZINC000252676147	436839891	/nfs/dbraw/zinc/83/98/91/436839891.db2.gz	WCOQVVVLBPADHA-BFHYXJOUSA-N	1	0	344.481	0.397	50	30		ECEARO
N#Cc1cc2n(n1)CCN(C(=O)C1CC[NH+](C3CCOCC3)CC1)C2	ZINC000426399044	438057264	/nfs/dbraw/zinc/05/72/64/438057264.db2.gz	NPLRBCQTAGPXAL-UHFFFAOYSA-N	1	0	343.431	0.988	50	30		ECEARO
C[C@H](CNC(=[NH2+])N1CCOCC1)N1CCN(c2ccccc2)CC1	ZINC000095948327	755134879	/nfs/dbraw/zinc/13/48/79/755134879.db2.gz	DFELUFSXVKIUBH-MRXNPFEDSA-N	1	0	331.464	0.844	50	30		ECEARO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000252517437	282215223	/nfs/dbraw/zinc/21/52/23/282215223.db2.gz	IOPDGKKHBIJUGK-CBZIJGRNSA-N	1	0	334.464	0.978	50	30		ECEARO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200728	201033408	/nfs/dbraw/zinc/03/34/08/201033408.db2.gz	HRPMWRAJNRUGRL-ZBFHGGJFSA-N	1	0	343.431	0.934	50	30		ECEARO
C=CCN1CC[C@]2(C[N@@H+](CCCn3cnnn3)CCN2C)CCC1=O	ZINC000091486742	218013322	/nfs/dbraw/zinc/01/33/22/218013322.db2.gz	KLGOTYAINQCANI-KRWDZBQOSA-N	1	0	347.467	0.248	50	30		ECEARO
CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)NC2(C#N)CCCC2)CC1	ZINC000069627822	435953896	/nfs/dbraw/zinc/95/38/96/435953896.db2.gz	QXMCYDDPOHKFGN-HNNXBMFYSA-N	1	0	336.480	0.964	50	30		ECEARO
Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)c([N+]#N)c(=O)n(C)c1=O	ZINC000008971553	436035413	/nfs/dbraw/zinc/03/54/13/436035413.db2.gz	VONXVBAIWCGJRJ-IIQYTXFTSA-N	1	0	329.276	0.522	50	30		ECEARO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000044949637	436356873	/nfs/dbraw/zinc/35/68/73/436356873.db2.gz	KOUGYEJOTYPSAB-IAGOWNOFSA-N	1	0	346.431	0.632	50	30		ECEARO
COc1nccc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)c1C#N	ZINC000095384372	436495178	/nfs/dbraw/zinc/49/51/78/436495178.db2.gz	QHHPFAJIPCPCAD-ZIAGYGMSSA-N	1	0	346.431	0.463	50	30		ECEARO
C#Cc1cccc(NC(=O)N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000096424068	436532672	/nfs/dbraw/zinc/53/26/72/436532672.db2.gz	MKLKAFMFUHRSJM-QGZVFWFLSA-N	1	0	330.432	0.740	50	30		ECEARO
Cn1c2ncn(CC/[NH+]=C3/CCCCCN3C)c2c(=O)n(C)c1=O	ZINC000012427908	527126110	/nfs/dbraw/zinc/12/61/10/527126110.db2.gz	UHFALZIVWOPQHL-ATVHPVEESA-N	1	0	332.408	0.338	50	30		ECEARO
O=C(CN1CC(=O)[O+]=N1)N1CCO[C@@H](Cc2ccccc2Cl)C1	ZINC000014957741	201944360	/nfs/dbraw/zinc/94/43/60/201944360.db2.gz	SKSJZCIYPGMPPY-LBPRGKRZSA-O	1	0	338.771	0.791	50	30		ECEARO
C=C(C)CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000189631730	201047919	/nfs/dbraw/zinc/04/79/19/201047919.db2.gz	OXPNBELBJSEUOD-INIZCTEOSA-N	1	0	345.509	0.619	50	30		ECEARO
COc1nccc(N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)c1C#N	ZINC000071752670	203107699	/nfs/dbraw/zinc/10/76/99/203107699.db2.gz	AMWWLEWHVLJSRA-HZPDHXFCSA-N	1	0	332.404	0.358	50	30		ECEARO
C=CC[C@H](NC(C)=O)C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1	ZINC000069741589	203314431	/nfs/dbraw/zinc/31/44/31/203314431.db2.gz	JKLUWBAEIUQPRR-LSDHHAIUSA-N	1	0	325.453	0.618	50	30		ECEARO
Cc1ccc([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+](C)C)cc1	ZINC000058278575	274756748	/nfs/dbraw/zinc/75/67/48/274756748.db2.gz	KMGCMMMQUUCRFU-OAHLLOKOSA-N	1	0	341.415	0.979	50	30		ECEARO
CNC(=[NH2+])NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000069983088	435983224	/nfs/dbraw/zinc/98/32/24/435983224.db2.gz	JSGONBCDNLHLLI-UHFFFAOYSA-N	1	0	334.420	0.903	50	30		ECEARO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000072300780	436043299	/nfs/dbraw/zinc/04/32/99/436043299.db2.gz	JSVODDWEWCWCMJ-GUYCJALGSA-N	1	0	334.420	0.497	50	30		ECEARO
C#Cc1cccc(NC(=O)N(C)C[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000096424069	436532185	/nfs/dbraw/zinc/53/21/85/436532185.db2.gz	MKLKAFMFUHRSJM-KRWDZBQOSA-N	1	0	330.432	0.740	50	30		ECEARO
C=CCN1CC[C@@]2(C[N@@H+](CCCn3cnnn3)CCN2C)CCC1=O	ZINC000107653591	436613478	/nfs/dbraw/zinc/61/34/78/436613478.db2.gz	KLGOTYAINQCANI-QGZVFWFLSA-N	1	0	347.467	0.248	50	30		ECEARO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1	ZINC000108376102	436617082	/nfs/dbraw/zinc/61/70/82/436617082.db2.gz	CLAQFBBINYNFFA-HUUCEWRRSA-N	1	0	348.472	0.771	50	30		ECEARO
C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1	ZINC000065421288	436659143	/nfs/dbraw/zinc/65/91/43/436659143.db2.gz	WSEOPEPOMUCFML-MRXNPFEDSA-N	1	0	330.432	0.666	50	30		ECEARO
CN1C(=O)[C@H]2C[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2C1=O	ZINC000097346930	545729705	/nfs/dbraw/zinc/72/97/05/545729705.db2.gz	ZJWFDSHMWNCNDZ-IYBDPMFKSA-N	1	0	326.396	0.856	50	30		ECEARO
C=CCN1C[C@@H](C(=O)NC2CC[NH+](CCSC)CC2)CC1=O	ZINC000952981333	612139930	/nfs/dbraw/zinc/13/99/30/612139930.db2.gz	DGXLDFZKUBJZDJ-ZDUSSCGKSA-N	1	0	325.478	0.965	50	30		ECEARO
CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091602536	436453955	/nfs/dbraw/zinc/45/39/55/436453955.db2.gz	XPHCQOHPYRPCRF-IAGOWNOFSA-N	1	0	331.416	0.553	50	30		ECEARO
CCN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402639	436493245	/nfs/dbraw/zinc/49/32/45/436493245.db2.gz	ATXAHYMKPRBKPS-YOEHRIQHSA-N	1	0	344.419	0.797	50	30		ECEARO
CN(C)C(=[NH+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)N(C)C	ZINC000096993674	436535855	/nfs/dbraw/zinc/53/58/55/436535855.db2.gz	KXXZDEURIQVBSQ-ZDUSSCGKSA-N	1	0	330.440	0.820	50	30		ECEARO
C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(OC)c2)CC1	ZINC000152701359	436738907	/nfs/dbraw/zinc/73/89/07/436738907.db2.gz	ZEVPQCUWKRIJRD-UHFFFAOYSA-N	1	0	347.390	0.732	50	30		ECEARO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21	ZINC000253397008	436841859	/nfs/dbraw/zinc/84/18/59/436841859.db2.gz	BYRWWYJJEPCWSC-GJZGRUSLSA-N	1	0	344.481	0.509	50	30		ECEARO
CN(C)C(=[NH+]CC1CCN(S(=O)(=O)C(F)F)CC1)N(C)C	ZINC000252508817	436836427	/nfs/dbraw/zinc/83/64/27/436836427.db2.gz	XURYYTDEYYYZQH-UHFFFAOYSA-N	1	0	326.413	0.730	50	30		ECEARO
N#Cc1cc2c(ccn(CCC[N@H+]3CCC[C@@H](O)C3)c2=O)[nH]c1=O	ZINC000067489608	215153143	/nfs/dbraw/zinc/15/31/43/215153143.db2.gz	WKHATBRHMDBZSX-CYBMUJFWSA-N	1	0	328.372	0.408	50	30		ECEARO
Cc1nc2n(n1)CCC[C@@H]2NC(NCC(=O)N(C)C)=[NH+]C1CCCC1	ZINC000195563362	241013423	/nfs/dbraw/zinc/01/34/23/241013423.db2.gz	DVCRNJVYYYSTFY-AWEZNQCLSA-N	1	0	347.467	0.987	50	30		ECEARO
C=CCc1ccc(OC[C@@H](O)C[NH+](CCO)CCO)c(OC)c1	ZINC000002686816	435967373	/nfs/dbraw/zinc/96/73/73/435967373.db2.gz	OFXJOVMIRUXTKK-HNNXBMFYSA-N	1	0	325.405	0.450	50	30		ECEARO
NC(=O)C[n+]1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1	ZINC000003181821	435973670	/nfs/dbraw/zinc/97/36/70/435973670.db2.gz	CRIVLXKVDRCESJ-UHFFFAOYSA-O	1	0	336.318	0.991	50	30		ECEARO
O=C(CN1CC(=O)[O+]=N1)N1CCO[C@@H](CCCc2ccccc2)C1	ZINC000012298862	436047788	/nfs/dbraw/zinc/04/77/88/436047788.db2.gz	AQJKWOALJHDWCO-HNNXBMFYSA-O	1	0	332.380	0.918	50	30		ECEARO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1	ZINC000078896315	436282414	/nfs/dbraw/zinc/28/24/14/436282414.db2.gz	RUGSNVCDMIQJJG-VYDXJSESSA-N	1	0	336.480	0.552	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(CO)C2)CC1	ZINC000089263638	436406049	/nfs/dbraw/zinc/40/60/49/436406049.db2.gz	LMMCGHNVDCBIOO-FUHWJXTLSA-N	1	0	336.480	0.773	50	30		ECEARO
CC[N@H+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091690331	436456290	/nfs/dbraw/zinc/45/62/90/436456290.db2.gz	HJGBXBJBZMCAGH-HUUCEWRRSA-N	1	0	337.445	0.739	50	30		ECEARO
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)CC2	ZINC000091951048	436464054	/nfs/dbraw/zinc/46/40/54/436464054.db2.gz	BOBXDGISOHMKBL-HNNXBMFYSA-N	1	0	345.447	0.697	50	30		ECEARO
C[N@@H+]1CCN(c2ncccc2C#N)C[C@]12CCC(=O)N(CCO)CC2	ZINC000107665036	436613085	/nfs/dbraw/zinc/61/30/85/436613085.db2.gz	FGKILAMKMUKEFH-GOSISDBHSA-N	1	0	343.431	0.449	50	30		ECEARO
C=CC[N@H+]1CCC[C@H]1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1	ZINC000065421287	436659791	/nfs/dbraw/zinc/65/97/91/436659791.db2.gz	WSEOPEPOMUCFML-INIZCTEOSA-N	1	0	330.432	0.666	50	30		ECEARO
N#CCCn1ncc2c1ncnc2NC[C@H](O)C[NH+]1CCCCC1	ZINC000065594494	436668643	/nfs/dbraw/zinc/66/86/43/436668643.db2.gz	QBBIKDUIIHDWNL-ZDUSSCGKSA-N	1	0	329.408	0.999	50	30		ECEARO
N#Cc1ccc(NC[C@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1	ZINC000065476521	214926907	/nfs/dbraw/zinc/92/69/07/214926907.db2.gz	AEZVEHDWBLNQQX-MRXNPFEDSA-N	1	0	343.431	0.936	50	30		ECEARO
N#Cc1cc2c(ccn(C[C@@H](O)C[NH+]3CCCCCC3)c2=O)[nH]c1=O	ZINC000067675611	215181943	/nfs/dbraw/zinc/18/19/43/215181943.db2.gz	NJQYQXZBEPZLQT-AWEZNQCLSA-N	1	0	342.399	0.798	50	30		ECEARO
N#Cc1cc2c(ccn(CC[N@H+]3CCCC[C@H]3CO)c2=O)nc1O	ZINC000067674373	283115504	/nfs/dbraw/zinc/11/55/04/283115504.db2.gz	IJGVQXRQNNWTEU-ZDUSSCGKSA-N	1	0	328.372	0.821	50	30		ECEARO
CC(C)C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(c2ccccn2)C1	ZINC000195563379	241012034	/nfs/dbraw/zinc/01/20/34/241012034.db2.gz	OHSYYBQLDUJAMX-OAHLLOKOSA-N	1	0	346.479	0.940	50	30		ECEARO
N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(N)nc(N)n3)CC2)cc1	ZINC000021405538	212223824	/nfs/dbraw/zinc/22/38/24/212223824.db2.gz	XWGHRDFONCUJGU-UHFFFAOYSA-N	1	0	338.419	0.616	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)Cc2ccccc2)CC1	ZINC000065414080	258012226	/nfs/dbraw/zinc/01/22/26/258012226.db2.gz	XOMRUNHALVTEQF-UHFFFAOYSA-N	1	0	327.428	0.807	50	30		ECEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000015319309	277861928	/nfs/dbraw/zinc/86/19/28/277861928.db2.gz	WKEYEADUZFQINL-QSUJAYFNSA-N	1	0	325.368	0.637	50	30		ECEARO
COc1cc(CNC(=[NH2+])NCCCN2CCOCC2)cc(OC)c1	ZINC000069707184	435960226	/nfs/dbraw/zinc/96/02/26/435960226.db2.gz	VBYYAROXXISJFL-UHFFFAOYSA-N	1	0	336.436	0.830	50	30		ECEARO
CS(=O)(=O)CCNC(NCCOc1ccccc1)=[NH+]C1CC1	ZINC000075583513	436166829	/nfs/dbraw/zinc/16/68/29/436166829.db2.gz	KLARKJHYTNLKAC-UHFFFAOYSA-N	1	0	325.434	0.808	50	30		ECEARO
Cn1c(NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000028749824	436191819	/nfs/dbraw/zinc/19/18/19/436191819.db2.gz	BRMCFWZAVJTIMS-CQSZACIVSA-N	1	0	345.378	0.810	50	30		ECEARO
CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382670	436410101	/nfs/dbraw/zinc/41/01/01/436410101.db2.gz	KSMIZPSSBNARTM-GOSISDBHSA-N	1	0	344.459	0.288	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)c2ccc(O)cc2)CC1	ZINC000065403740	436658650	/nfs/dbraw/zinc/65/86/50/436658650.db2.gz	XNZAFXPEYVSLJS-UHFFFAOYSA-N	1	0	329.400	0.583	50	30		ECEARO
N#Cc1cccnc1NC[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1	ZINC000065496861	436665306	/nfs/dbraw/zinc/66/53/06/436665306.db2.gz	SYJHSGGXODPSTJ-CYBMUJFWSA-N	1	0	342.403	0.629	50	30		ECEARO
CC(=O)N1CCN([C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H]2C)CC1	ZINC000257365946	436877795	/nfs/dbraw/zinc/87/77/95/436877795.db2.gz	CXULPGMLPOFHBV-BFYDXBDKSA-N	1	0	349.479	0.231	50	30		ECEARO
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1	ZINC000328650844	437245613	/nfs/dbraw/zinc/24/56/13/437245613.db2.gz	BEGYFNPTSZEPGE-CHWSQXEVSA-N	1	0	333.454	0.130	50	30		ECEARO
N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cn1	ZINC000426597215	438069108	/nfs/dbraw/zinc/06/91/08/438069108.db2.gz	KTDMWSIFBOGIQY-HUUCEWRRSA-N	1	0	343.412	0.775	50	30		ECEARO
COC[C@H](C)NC(NCc1cc[nH]n1)=[NH+]CCCN1CCOCC1	ZINC000084640346	612090730	/nfs/dbraw/zinc/09/07/30/612090730.db2.gz	ARJZOVRFAFYINS-AWEZNQCLSA-N	1	0	338.456	0.202	50	30		ECEARO
CN1CCN(c2ncccc2CNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000058380019	254484733	/nfs/dbraw/zinc/48/47/33/254484733.db2.gz	BMYBCNJFCFGZLT-HNNXBMFYSA-N	1	0	332.452	0.417	50	30		ECEARO
Cn1c(NC[C@@H](c2cccs2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012798653	273805624	/nfs/dbraw/zinc/80/56/24/273805624.db2.gz	XTKBHIMIRIQJCX-NSHDSACASA-N	1	0	333.417	0.732	50	30		ECEARO
Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O	ZINC000014961096	436075872	/nfs/dbraw/zinc/07/58/72/436075872.db2.gz	ZSBOMTDTBDDKMP-OAHLLOKOSA-N	1	0	339.399	0.394	50	30	biogenic,fda	ECEARO
Cn1c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000028749821	436192978	/nfs/dbraw/zinc/19/29/78/436192978.db2.gz	BRMCFWZAVJTIMS-AWEZNQCLSA-N	1	0	345.378	0.810	50	30		ECEARO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1	ZINC000078896317	436282799	/nfs/dbraw/zinc/28/27/99/436282799.db2.gz	RUGSNVCDMIQJJG-ZOBUZTSGSA-N	1	0	336.480	0.552	50	30		ECEARO
C=C(C)CS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000189631711	526676810	/nfs/dbraw/zinc/67/68/10/526676810.db2.gz	OXPNBELBJSEUOD-MRXNPFEDSA-N	1	0	345.509	0.619	50	30		ECEARO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH2+][C@H](CO)C3)c2c1	ZINC000952991617	612140547	/nfs/dbraw/zinc/14/05/47/612140547.db2.gz	CAJZOTUXVFNGLY-LBPRGKRZSA-N	1	0	328.372	0.894	50	30		ECEARO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH2+][C@@H](CO)C3)c2c1	ZINC000952991616	612140819	/nfs/dbraw/zinc/14/08/19/612140819.db2.gz	CAJZOTUXVFNGLY-GFCCVEGCSA-N	1	0	328.372	0.894	50	30		ECEARO
N#Cc1cc2c(ccn(CCC[N@H+]3CCC[C@H](O)C3)c2=O)[nH]c1=O	ZINC000067489606	215153869	/nfs/dbraw/zinc/15/38/69/215153869.db2.gz	WKHATBRHMDBZSX-ZDUSSCGKSA-N	1	0	328.372	0.408	50	30		ECEARO
CC(C)(O)C#Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000022918437	212334840	/nfs/dbraw/zinc/33/48/40/212334840.db2.gz	AXBCVUPTWJHOLU-OALUTQOASA-N	1	0	344.455	0.686	50	30		ECEARO
Cc1nc(CN2CCC[C@H]([NH2+]CC(=O)NC3(C#N)CCCC3)C2)no1	ZINC000075602471	436167005	/nfs/dbraw/zinc/16/70/05/436167005.db2.gz	UXMICTFGLVTZQU-AWEZNQCLSA-N	1	0	346.435	0.885	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1	ZINC000091540777	436452641	/nfs/dbraw/zinc/45/26/41/436452641.db2.gz	KHTZAXBQQNDZLN-SFHVURJKSA-N	1	0	347.507	0.706	50	30		ECEARO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1	ZINC000091580862	436454469	/nfs/dbraw/zinc/45/44/69/436454469.db2.gz	SOLSHSWXSQJRSK-WMZOPIPTSA-N	1	0	342.443	0.710	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1	ZINC000065403063	258012231	/nfs/dbraw/zinc/01/22/31/258012231.db2.gz	SDNUJRCMRPDTSW-UHFFFAOYSA-N	1	0	345.418	0.946	50	30		ECEARO
CN(C)c1cc[n+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000003362837	435972918	/nfs/dbraw/zinc/97/29/18/435972918.db2.gz	QGXWTMUUBKUUHZ-UHFFFAOYSA-O	1	0	335.409	0.326	50	30		ECEARO
Cc1n[n+](CC(=O)Nc2ccc(Br)cc2)c(C)n1N	ZINC000003209400	435974619	/nfs/dbraw/zinc/97/46/19/435974619.db2.gz	IYJLTJVXPPCSKP-UHFFFAOYSA-O	1	0	325.190	0.902	50	30		ECEARO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000069921440	435976406	/nfs/dbraw/zinc/97/64/06/435976406.db2.gz	UTDINKAWMZJHHH-AWEZNQCLSA-N	1	0	343.431	0.496	50	30		ECEARO
CN(CCC#N)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000069657887	435957715	/nfs/dbraw/zinc/95/77/15/435957715.db2.gz	YURRLIKRWSJKIJ-OAHLLOKOSA-N	1	0	343.497	0.179	50	30		ECEARO
COc1nccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)c1C#N	ZINC000071589458	436007507	/nfs/dbraw/zinc/00/75/07/436007507.db2.gz	MGOQNGUANXITPG-HZPDHXFCSA-N	1	0	331.420	0.149	50	30		ECEARO
C[C@](C#N)(NC(=O)C[NH2+]C[C@H]1CCCN1c1cccnn1)C1CC1	ZINC000072276724	436040365	/nfs/dbraw/zinc/04/03/65/436040365.db2.gz	JOFBCXLRCPMDTG-RHSMWYFYSA-N	1	0	328.420	0.843	50	30		ECEARO
Cn1c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000028749762	212634081	/nfs/dbraw/zinc/63/40/81/212634081.db2.gz	CWVRAZPZGWCMKM-ZDUSSCGKSA-N	1	0	343.387	0.798	50	30		ECEARO
Cc1nc2n(n1)CCC[C@H]2NC(NCC(=O)N(C)C)=[NH+]C1CCCC1	ZINC000195563364	241012226	/nfs/dbraw/zinc/01/22/26/241012226.db2.gz	DVCRNJVYYYSTFY-CQSZACIVSA-N	1	0	347.467	0.987	50	30		ECEARO
N#Cc1cc(F)cc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077355869	216881682	/nfs/dbraw/zinc/88/16/82/216881682.db2.gz	LCPHTAGNIYZZMO-SFHVURJKSA-N	1	0	347.390	0.997	50	30		ECEARO
N#CC1(NC(=O)C[NH2+][C@H]2CCCN(c3cccnn3)C2)CCCC1	ZINC000069738749	435962080	/nfs/dbraw/zinc/96/20/80/435962080.db2.gz	GHPZXECPHOKPTJ-AWEZNQCLSA-N	1	0	328.420	0.988	50	30		ECEARO
Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000072254074	436036789	/nfs/dbraw/zinc/03/67/89/436036789.db2.gz	PUUJBHCQYHCPNQ-CABCVRRESA-N	1	0	327.388	0.803	50	30		ECEARO
N#CCCn1ncc2c1ncnc2NC[C@@H](O)C[NH+]1CCCCC1	ZINC000065594497	436668885	/nfs/dbraw/zinc/66/88/85/436668885.db2.gz	QBBIKDUIIHDWNL-CYBMUJFWSA-N	1	0	329.408	0.999	50	30		ECEARO
C[C@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000584892988	439623930	/nfs/dbraw/zinc/62/39/30/439623930.db2.gz	LZJBOJPXCSIFQI-OAHLLOKOSA-N	1	0	344.463	0.903	50	30		ECEARO
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](CCO)C2)CC1	ZINC000097492592	545730868	/nfs/dbraw/zinc/73/08/68/545730868.db2.gz	IXGQJBFMDLDBEJ-QGZVFWFLSA-N	1	0	342.443	0.911	50	30		ECEARO
CCN1CC[NH+](C[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]2CO)CC1	ZINC000095364707	218297954	/nfs/dbraw/zinc/29/79/54/218297954.db2.gz	ICKBCSNBYAQTAD-QZTJIDSGSA-N	1	0	343.475	0.944	50	30		ECEARO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)N(C)CCC#N	ZINC000107142270	287205730	/nfs/dbraw/zinc/20/57/30/287205730.db2.gz	WCOQVVVLBPADHA-MCIONIFRSA-N	1	0	344.481	0.397	50	30		ECEARO
Cn1c(NCCc2cccc(C[NH+](C)C)c2)c(C#N)c(=O)n(C)c1=O	ZINC000070036909	435981956	/nfs/dbraw/zinc/98/19/56/435981956.db2.gz	BKNLZPCJEJNNSR-UHFFFAOYSA-N	1	0	341.415	0.672	50	30		ECEARO
C=CCNC(NCCNC(=O)c1cccc(OC)c1)=[NH+]CCOC	ZINC000072271810	436039202	/nfs/dbraw/zinc/03/92/02/436039202.db2.gz	BTLWEAWCFHLLRZ-UHFFFAOYSA-N	1	0	334.420	0.793	50	30		ECEARO
C#CCN1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000075138064	436153181	/nfs/dbraw/zinc/15/31/81/436153181.db2.gz	QDWNDXCLVNCKMW-ZWKOTPCHSA-N	1	0	334.508	0.862	50	30		ECEARO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCNC(N)=O)CC2)cc1	ZINC000075862366	436180434	/nfs/dbraw/zinc/18/04/34/436180434.db2.gz	OCTWBGPKCSWADI-UHFFFAOYSA-N	1	0	329.404	0.651	50	30		ECEARO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)NCCCO)CC1	ZINC000032928691	436248040	/nfs/dbraw/zinc/24/80/40/436248040.db2.gz	HRZXNGRILWORID-UHFFFAOYSA-N	1	0	325.453	0.622	50	30		ECEARO
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000078869872	436280352	/nfs/dbraw/zinc/28/03/52/436280352.db2.gz	MQSIFOQXNYLADN-QGZVFWFLSA-N	1	0	342.443	0.992	50	30		ECEARO
COCC[NH+]1CCC(CNC(=O)CN(C)c2ccc(C#N)cn2)CC1	ZINC000089337156	436408539	/nfs/dbraw/zinc/40/85/39/436408539.db2.gz	HGEQZCWRMWFIHF-UHFFFAOYSA-N	1	0	345.447	0.864	50	30		ECEARO
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000096421250	436532544	/nfs/dbraw/zinc/53/25/44/436532544.db2.gz	WZCCUKKPVROYRW-AWEZNQCLSA-N	1	0	336.461	0.614	50	30		ECEARO
CN(CC[N@H+](C)C1CCCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000065548431	436667176	/nfs/dbraw/zinc/66/71/76/436667176.db2.gz	MTECTEWZDJGXFI-UHFFFAOYSA-N	1	0	333.436	0.656	50	30		ECEARO
Cn1ccc(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1	ZINC000328834381	437270387	/nfs/dbraw/zinc/27/03/87/437270387.db2.gz	SAFWKEMBDCJILS-HNNXBMFYSA-N	1	0	335.452	0.921	50	30		ECEARO
CN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1=O	ZINC000047011501	213825627	/nfs/dbraw/zinc/82/56/27/213825627.db2.gz	GSGUEIQGDYHARV-MRXNPFEDSA-N	1	0	328.416	0.927	50	30		ECEARO
CC(=O)C1=C(O)C(=O)N(CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1	ZINC000019702492	212055460	/nfs/dbraw/zinc/05/54/60/212055460.db2.gz	HANYVJWQPZBKGC-MRXNPFEDSA-N	1	0	329.400	0.876	50	30		ECEARO
N#Cc1cccc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)n1	ZINC000095368664	218302031	/nfs/dbraw/zinc/30/20/31/218302031.db2.gz	CTTNTLCAVZCQJK-HZPDHXFCSA-N	1	0	330.432	0.702	50	30		ECEARO
C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1ccc(C#N)nc1	ZINC000299776791	258087007	/nfs/dbraw/zinc/08/70/07/258087007.db2.gz	LWNNJXQAGOUKCG-HNNXBMFYSA-N	1	0	329.404	0.626	50	30		ECEARO
Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC(=O)N(CC#N)CC#N)C2)n1	ZINC000069847595	435972536	/nfs/dbraw/zinc/97/25/36/435972536.db2.gz	GBMAQGPYOFCREM-INIZCTEOSA-N	1	0	343.435	0.873	50	30		ECEARO
CCOCCC[NH+]=C(NCCOC)NCc1nnc2ccccn21	ZINC000075583098	436165641	/nfs/dbraw/zinc/16/56/41/436165641.db2.gz	KMXCEWFDSXUGIR-UHFFFAOYSA-N	1	0	334.424	0.838	50	30		ECEARO
C[C@@](O)(C[C@H](O)CN1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846189	439710697	/nfs/dbraw/zinc/71/06/97/439710697.db2.gz	NDTNBXGWCDNRCS-FUHWJXTLSA-N	1	0	330.432	0.987	50	30		ECEARO
CC(=O)C1=C(O)C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccccc1	ZINC000019702494	212055295	/nfs/dbraw/zinc/05/52/95/212055295.db2.gz	HANYVJWQPZBKGC-INIZCTEOSA-N	1	0	329.400	0.876	50	30		ECEARO
CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893791	436026901	/nfs/dbraw/zinc/02/69/01/436026901.db2.gz	YFPDJNFALBWVKQ-AWEZNQCLSA-N	1	0	333.392	0.511	50	30		ECEARO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1	ZINC000072268774	436036393	/nfs/dbraw/zinc/03/63/93/436036393.db2.gz	YNXKRPLRCJBNIB-FUHWJXTLSA-N	1	0	331.416	0.751	50	30		ECEARO
C[O+]=NN(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000225399909	436710175	/nfs/dbraw/zinc/71/01/75/436710175.db2.gz	CGXGJYKDTZTSAL-UHFFFAOYSA-N	1	0	347.348	0.031	50	30		ECEARO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)N(CC#N)CC#N)n1	ZINC000069521272	436778357	/nfs/dbraw/zinc/77/83/57/436778357.db2.gz	UEKLPTNHEMVNQY-HNNXBMFYSA-N	1	0	329.408	0.625	50	30		ECEARO
CN(CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cn1	ZINC000252506856	436836209	/nfs/dbraw/zinc/83/62/09/436836209.db2.gz	WTKKDEQBYBQPHP-HZPDHXFCSA-N	1	0	343.431	0.447	50	30		ECEARO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCSC2)CC1	ZINC000328588932	437237349	/nfs/dbraw/zinc/23/73/49/437237349.db2.gz	YWSKWBBYRJRIPR-ZIAGYGMSSA-N	1	0	340.493	0.892	50	30		ECEARO
C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1OC	ZINC000291424109	437588667	/nfs/dbraw/zinc/58/86/67/437588667.db2.gz	IJMUYXCJAFQDBF-UHFFFAOYSA-N	1	0	343.449	0.746	50	30		ECEARO
N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COCCO)CC2)cc1	ZINC000084398304	545710081	/nfs/dbraw/zinc/71/00/81/545710081.db2.gz	UIOHWPAZJNCKTH-SFHVURJKSA-N	1	0	333.432	0.436	50	30		ECEARO
N#Cc1ccc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cn1	ZINC000077355968	216882270	/nfs/dbraw/zinc/88/22/70/216882270.db2.gz	SHXBWIAYPCQQDQ-QGZVFWFLSA-N	1	0	330.388	0.253	50	30		ECEARO
COc1ccc(N[C@@H]2CCCN(C(=O)CN3CC(=O)[O+]=N3)C2)cc1	ZINC000012434633	211379809	/nfs/dbraw/zinc/37/98/09/211379809.db2.gz	GUPBHGYMIVVKQC-CYBMUJFWSA-O	1	0	333.368	0.779	50	30		ECEARO
C=CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963855	211024050	/nfs/dbraw/zinc/02/40/50/211024050.db2.gz	AZTYBWADRLXBRE-MRXNPFEDSA-N	1	0	330.432	0.700	50	30		ECEARO
C=CC[NH+]=C(NCC(=O)NC(C)(C)C)NCC(=O)NC(C)(C)C	ZINC000095397672	218330310	/nfs/dbraw/zinc/33/03/10/218330310.db2.gz	AWZPDNOJZQHFSU-UHFFFAOYSA-N	1	0	325.457	0.537	50	30		ECEARO
N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1	ZINC000069847276	435972634	/nfs/dbraw/zinc/97/26/34/435972634.db2.gz	VSUCBJUBHUCMJL-ZDUSSCGKSA-N	1	0	338.433	0.442	50	30		ECEARO
CS(=O)(=O)c1ccc(NCCNC(=[NH2+])NC2CC2)c([N+](=O)[O-])c1	ZINC000070037561	435982728	/nfs/dbraw/zinc/98/27/28/435982728.db2.gz	BEYYQBYMSGKUPV-UHFFFAOYSA-N	1	0	341.393	0.477	50	30		ECEARO
CC[NH+]1CCN(CCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000073232292	436072076	/nfs/dbraw/zinc/07/20/76/436072076.db2.gz	KQGGQSVBSRUWEF-QGZVFWFLSA-N	1	0	335.496	0.706	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(O)CCCC2)CC1	ZINC000089263703	436406732	/nfs/dbraw/zinc/40/67/32/436406732.db2.gz	IYMJFXHMSIQYCT-INIZCTEOSA-N	1	0	336.480	0.916	50	30		ECEARO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1	ZINC000107058109	436608171	/nfs/dbraw/zinc/60/81/71/436608171.db2.gz	MEWXNCJWENCFFB-WBVHZDCISA-N	1	0	349.479	0.233	50	30		ECEARO
CC[C@@H](O)C[NH+]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1	ZINC000253433502	436848424	/nfs/dbraw/zinc/84/84/24/436848424.db2.gz	XQDYDEGKKIHPPY-CYBMUJFWSA-N	1	0	338.433	0.099	50	30		ECEARO
Cc1cc(C)c(C#N)c(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1	ZINC000426613659	438067943	/nfs/dbraw/zinc/06/79/43/438067943.db2.gz	RNRQTYHUTPSNGQ-HUUCEWRRSA-N	1	0	331.420	0.505	50	30		ECEARO
C=CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712801	215191372	/nfs/dbraw/zinc/19/13/72/215191372.db2.gz	NSZDWFONUPDNEI-AWEZNQCLSA-N	1	0	333.436	0.948	50	30		ECEARO
N#Cc1ccccc1OCC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000069847273	435970699	/nfs/dbraw/zinc/97/06/99/435970699.db2.gz	VSUCBJUBHUCMJL-CYBMUJFWSA-N	1	0	338.433	0.442	50	30		ECEARO
CCn1cc(NC(NCCCOCCOC)=[NH+]CCOC)cn1	ZINC000069631888	435954467	/nfs/dbraw/zinc/95/44/67/435954467.db2.gz	BZLZDSRMWRCXBF-UHFFFAOYSA-N	1	0	327.429	0.769	50	30		ECEARO
CN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059081	436189985	/nfs/dbraw/zinc/18/99/85/436189985.db2.gz	DQMQKTSNVQRIKU-XJKSGUPXSA-N	1	0	330.392	0.407	50	30		ECEARO
C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)C1	ZINC000097756357	436545097	/nfs/dbraw/zinc/54/50/97/436545097.db2.gz	XKHGIMSZZZCSHL-HNNXBMFYSA-N	1	0	326.404	0.959	50	30		ECEARO
C[NH+](C)CC1(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCC1	ZINC000328598970	437236628	/nfs/dbraw/zinc/23/66/28/437236628.db2.gz	PMICOGFXXYLJOD-UHFFFAOYSA-N	1	0	343.453	0.738	50	30		ECEARO
CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469773	548017716	/nfs/dbraw/zinc/01/77/16/548017716.db2.gz	AWIZCWHEJWLYQA-INIZCTEOSA-N	1	0	331.420	0.986	50	30		ECEARO
Cc1nnc2n1C[C@H](C[NH+](C)C)N(C(=O)c1ncc(C#N)cc1C)C2	ZINC000685941894	549728910	/nfs/dbraw/zinc/72/89/10/549728910.db2.gz	CWJPSSXXXGLTSH-AWEZNQCLSA-N	1	0	339.403	0.748	50	30		ECEARO
C#CCOC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020725474	212165822	/nfs/dbraw/zinc/16/58/22/212165822.db2.gz	KVAUOXKLVCFQIM-MRXNPFEDSA-N	1	0	332.400	0.544	50	30		ECEARO
COCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000078602789	217083559	/nfs/dbraw/zinc/08/35/59/217083559.db2.gz	DEUUSDQRMQVQGD-HNNXBMFYSA-N	1	0	330.388	0.724	50	30		ECEARO
CCS(=O)(=O)NCCNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000071847238	436019233	/nfs/dbraw/zinc/01/92/33/436019233.db2.gz	CXJWEEQSHXPJJL-UHFFFAOYSA-N	1	0	344.437	0.047	50	30		ECEARO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1	ZINC000071896936	436026619	/nfs/dbraw/zinc/02/66/19/436026619.db2.gz	UPZRRJULQGTIGN-ROUUACIJSA-N	1	0	342.443	0.852	50	30		ECEARO
Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000072254075	436037876	/nfs/dbraw/zinc/03/78/76/436037876.db2.gz	PUUJBHCQYHCPNQ-GJZGRUSLSA-N	1	0	327.388	0.803	50	30		ECEARO
C[C@@](C#N)(NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1)C1CC1	ZINC000072276723	436040473	/nfs/dbraw/zinc/04/04/73/436040473.db2.gz	JOFBCXLRCPMDTG-YOEHRIQHSA-N	1	0	328.420	0.843	50	30		ECEARO
C#CC[NH+]1CCC(C(=O)NCC(C)(C)N2CCS(=O)CC2)CC1	ZINC000074255442	436116020	/nfs/dbraw/zinc/11/60/20/436116020.db2.gz	KXJXBNZYVMCNEV-UHFFFAOYSA-N	1	0	339.505	0.291	50	30		ECEARO
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000078869869	436280393	/nfs/dbraw/zinc/28/03/93/436280393.db2.gz	MQSIFOQXNYLADN-KRWDZBQOSA-N	1	0	342.443	0.992	50	30		ECEARO
C[NH+](C)C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000091270512	436448689	/nfs/dbraw/zinc/44/86/89/436448689.db2.gz	NGMPVHAPXVIRQX-ZIAGYGMSSA-N	1	0	337.445	0.739	50	30		ECEARO
N#Cc1ccc(OCC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451529	436775055	/nfs/dbraw/zinc/77/50/55/436775055.db2.gz	MQJSXTKEQVHFDS-CQSZACIVSA-N	1	0	338.433	0.442	50	30		ECEARO
CN(Cc1cc(C#N)ccc1F)C(=O)C[NH+]1CCC(C(N)=O)CC1	ZINC000051186222	214081748	/nfs/dbraw/zinc/08/17/48/214081748.db2.gz	JKBNELFGTIIXGP-UHFFFAOYSA-N	1	0	332.379	0.853	50	30		ECEARO
C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CCc2ccccc2C1	ZINC000069704298	215544045	/nfs/dbraw/zinc/54/40/45/215544045.db2.gz	HSQZDBKWGDBDMC-UHFFFAOYSA-N	1	0	343.475	0.784	50	30		ECEARO
N#Cc1nccnc1N1CCN(c2ncnc3c2CC[NH2+]CC3)CC1	ZINC000072407341	216197689	/nfs/dbraw/zinc/19/76/89/216197689.db2.gz	QNHLMARJACPCJF-UHFFFAOYSA-N	1	0	336.403	0.153	50	30		ECEARO
CN1CC[NH+]([C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@H]2O)CC1	ZINC000022919607	212335155	/nfs/dbraw/zinc/33/51/55/212335155.db2.gz	CBDZSZHJTMORCD-QZTJIDSGSA-N	1	0	327.428	0.247	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)CC1	ZINC000230185718	242246244	/nfs/dbraw/zinc/24/62/44/242246244.db2.gz	MBZVZEQGMPFCBX-ULQDDVLXSA-N	1	0	336.480	0.914	50	30		ECEARO
COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(C#N)c2)C[C@@H]1CO	ZINC000091849318	218077297	/nfs/dbraw/zinc/07/72/97/218077297.db2.gz	UUIJWHIADBLUKN-HZPDHXFCSA-N	1	0	349.406	0.956	50	30		ECEARO
C=C(C)Cn1c(N2CC[NH+](CC)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000000551596	435956728	/nfs/dbraw/zinc/95/67/28/435956728.db2.gz	KAIRTCIRXCCIBG-UHFFFAOYSA-N	1	0	332.408	0.141	50	30		ECEARO
NC(=[NH2+])NN=C1c2ccccc2N(CC(=O)Nc2ccccc2)C1=O	ZINC000006453401	435999511	/nfs/dbraw/zinc/99/95/11/435999511.db2.gz	DRHXRBZEIIRJSC-QNGOZBTKSA-N	1	0	336.355	0.859	50	30		ECEARO
CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893790	436026147	/nfs/dbraw/zinc/02/61/47/436026147.db2.gz	YFPDJNFALBWVKQ-CQSZACIVSA-N	1	0	333.392	0.511	50	30		ECEARO
COCCN(C)CCNC(NCCCN1CCOCC1)=[NH+]C(C)C	ZINC000072283272	436038674	/nfs/dbraw/zinc/03/86/74/436038674.db2.gz	OKXFPPZTXNIDED-UHFFFAOYSA-N	1	0	343.516	0.231	50	30		ECEARO
O=C(CN1CC(=O)[O+]=N1)N1CCO[C@H](Cc2ccccc2Cl)C1	ZINC000014957745	436075532	/nfs/dbraw/zinc/07/55/32/436075532.db2.gz	SKSJZCIYPGMPPY-GFCCVEGCSA-O	1	0	338.771	0.791	50	30		ECEARO
CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059072	436189056	/nfs/dbraw/zinc/18/90/56/436189056.db2.gz	DQMQKTSNVQRIKU-CZUORRHYSA-N	1	0	330.392	0.407	50	30		ECEARO
CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091254468	436448186	/nfs/dbraw/zinc/44/81/86/436448186.db2.gz	BVFAZYMTASLHRQ-QZTJIDSGSA-N	1	0	344.459	0.732	50	30		ECEARO
CCN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402637	436493528	/nfs/dbraw/zinc/49/35/28/436493528.db2.gz	ATXAHYMKPRBKPS-PBHICJAKSA-N	1	0	344.419	0.797	50	30		ECEARO
C[NH+]=C(NCCN1CCOCC1)NCc1nnc(C(C)C)s1	ZINC000195537542	436694142	/nfs/dbraw/zinc/69/41/42/436694142.db2.gz	GLVJUVDFIQOHLD-UHFFFAOYSA-N	1	0	326.470	0.659	50	30		ECEARO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1	ZINC000222148416	436702648	/nfs/dbraw/zinc/70/26/48/436702648.db2.gz	CLAQFBBINYNFFA-CABCVRRESA-N	1	0	348.472	0.771	50	30		ECEARO
N#Cc1nccnc1N1CCN(C(=O)C[NH+]2CCCCCC2)CC1	ZINC000065507500	436665717	/nfs/dbraw/zinc/66/57/17/436665717.db2.gz	GJBXVBMQIGOCGF-UHFFFAOYSA-N	1	0	328.420	0.873	50	30		ECEARO
C[C@@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)[NH+]1CCN(C)CC1	ZINC000584892986	439625158	/nfs/dbraw/zinc/62/51/58/439625158.db2.gz	LZJBOJPXCSIFQI-HNNXBMFYSA-N	1	0	344.463	0.903	50	30		ECEARO
C=CCNC(NC[C@@H](C)Cn1cccn1)=[NH+]CCN1CCOCC1	ZINC000073373067	611219812	/nfs/dbraw/zinc/21/98/12/611219812.db2.gz	VYCWEFZLYHKCFK-MRXNPFEDSA-N	1	0	334.468	0.573	50	30		ECEARO
C[NH+]=C(NCc1ccc(C)nc1OC)NC[C@@H](C)N1CCOCC1	ZINC000095350570	754132640	/nfs/dbraw/zinc/13/26/40/754132640.db2.gz	NNDRGHQKJDUQEM-CQSZACIVSA-N	1	0	335.452	0.784	50	30		ECEARO
CNC(=O)NC(=O)CCC[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000069591814	435951137	/nfs/dbraw/zinc/95/11/37/435951137.db2.gz	VXJYWFCDRLCHJP-UHFFFAOYSA-N	1	0	344.419	0.701	50	30		ECEARO
N#Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000072269222	436040338	/nfs/dbraw/zinc/04/03/38/436040338.db2.gz	SBKIFVYZGWNQMN-SJORKVTESA-N	1	0	329.400	0.995	50	30		ECEARO
Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NCc2ccco2)cc1	ZINC000072280366	436040620	/nfs/dbraw/zinc/04/06/20/436040620.db2.gz	FKHUDOHDGDEUJD-UHFFFAOYSA-N	1	0	336.417	0.971	50	30		ECEARO
C[NH+]=C(NCC(C1CC1)C1CC1)N1CCN(CC(=O)NC2CC2)CC1	ZINC000073404709	436078462	/nfs/dbraw/zinc/07/84/62/436078462.db2.gz	BEQAHLWPGAKUJF-UHFFFAOYSA-N	1	0	347.507	0.894	50	30		ECEARO
Cn1c(NC[C@@H](c2ccsc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000026720535	436167185	/nfs/dbraw/zinc/16/71/85/436167185.db2.gz	WHWMZIVAAXVRNY-LBPRGKRZSA-N	1	0	333.417	0.732	50	30		ECEARO
Cc1ccc(S(=O)(=O)N/N=C2\C3CN4CC2(C)C[N@H+](C3)CC4)cc1	ZINC000095483280	436495684	/nfs/dbraw/zinc/49/56/84/436495684.db2.gz	AAUFOBGBHBMHIK-FBMGVBCBSA-N	1	0	348.472	0.897	50	30		ECEARO
CN(CC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(C#N)cn1	ZINC000069513674	436778434	/nfs/dbraw/zinc/77/84/34/436778434.db2.gz	NWRUZDPEXZIGFE-UHFFFAOYSA-N	1	0	327.392	0.786	50	30		ECEARO
COCCNC(NCCNC(=O)c1cccc(OC)c1)=[NH+]C1CC1	ZINC000089414070	608950846	/nfs/dbraw/zinc/95/08/46/608950846.db2.gz	BVFBFLFXHSPSRU-UHFFFAOYSA-N	1	0	334.420	0.769	50	30		ECEARO
COCCNc1nc2c(c(N3CCC[C@H](C#N)C3)n1)CC[NH2+]CC2	ZINC000072473352	216250437	/nfs/dbraw/zinc/25/04/37/216250437.db2.gz	XINXGMDCLMFWMJ-CYBMUJFWSA-N	1	0	330.436	0.963	50	30		ECEARO
Cc1ccc2nc(C3C(O)=CN(CCN4CCOCC4)C3=[NH2+])[nH]c2c1	ZINC000019794057	212068935	/nfs/dbraw/zinc/06/89/35/212068935.db2.gz	YNCQOWQVWOONQK-UHFFFAOYSA-N	1	0	341.415	0.716	50	30		ECEARO
CC(C)(C)[C@H](O)C[NH+]1CCN(CCC(=O)N(CC#N)CC#N)CC1	ZINC000069653287	435953560	/nfs/dbraw/zinc/95/35/60/435953560.db2.gz	XDSGNWXYXSQLJU-OAHLLOKOSA-N	1	0	335.452	0.277	50	30		ECEARO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1	ZINC000072268775	436035560	/nfs/dbraw/zinc/03/55/60/436035560.db2.gz	YNXKRPLRCJBNIB-AEFFLSMTSA-N	1	0	331.416	0.751	50	30		ECEARO
N#Cc1ncn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1	ZINC000012743282	436054947	/nfs/dbraw/zinc/05/49/47/436054947.db2.gz	SGMQWNOFLUZEAQ-OAHLLOKOSA-N	1	0	340.387	0.167	50	30		ECEARO
CCN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402636	436494921	/nfs/dbraw/zinc/49/49/21/436494921.db2.gz	ATXAHYMKPRBKPS-RHSMWYFYSA-N	1	0	344.419	0.797	50	30		ECEARO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1	ZINC000096418150	436531245	/nfs/dbraw/zinc/53/12/45/436531245.db2.gz	UZXAAIKSYRXBQA-OAHLLOKOSA-N	1	0	342.443	0.606	50	30		ECEARO
C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccc(C#N)nc1	ZINC000299776793	258087039	/nfs/dbraw/zinc/08/70/39/258087039.db2.gz	LWNNJXQAGOUKCG-OAHLLOKOSA-N	1	0	329.404	0.626	50	30		ECEARO
C#CCN1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000075138074	436153720	/nfs/dbraw/zinc/15/37/20/436153720.db2.gz	QDWNDXCLVNCKMW-MSOLQXFVSA-N	1	0	334.508	0.862	50	30		ECEARO
CCOCCCNC(=[NH+]C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000075611999	436166999	/nfs/dbraw/zinc/16/69/99/436166999.db2.gz	VWJSJQUOJRLVNR-AWEZNQCLSA-N	1	0	326.441	0.312	50	30		ECEARO
CN(C[C@H](O)CN1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452875	436532221	/nfs/dbraw/zinc/53/22/21/436532221.db2.gz	MWJKIUCIHKGPBH-HNNXBMFYSA-N	1	0	333.392	0.511	50	30		ECEARO
Cc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+](C)C)cc1	ZINC000058278576	436622859	/nfs/dbraw/zinc/62/28/59/436622859.db2.gz	KMGCMMMQUUCRFU-HNNXBMFYSA-N	1	0	341.415	0.979	50	30		ECEARO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1	ZINC000110705464	436628028	/nfs/dbraw/zinc/62/80/28/436628028.db2.gz	SOLSHSWXSQJRSK-SJLPKXTDSA-N	1	0	342.443	0.710	50	30		ECEARO
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)C(=O)N(C)CCC#N	ZINC000252676148	436839648	/nfs/dbraw/zinc/83/96/48/436839648.db2.gz	WCOQVVVLBPADHA-MGPQQGTHSA-N	1	0	344.481	0.397	50	30		ECEARO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000253421612	436843199	/nfs/dbraw/zinc/84/31/99/436843199.db2.gz	YWBKMMYWBUXIRI-BZUAXINKSA-N	1	0	335.448	0.733	50	30		ECEARO
OCCC#Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000020994056	527531425	/nfs/dbraw/zinc/53/14/25/527531425.db2.gz	ZNVOYLJAHNIVKG-OALUTQOASA-N	1	0	330.428	0.298	50	30		ECEARO
CCN1CCC[C@@H]1CNC(NCCS(=O)(=O)CC)=[NH+]CCOC	ZINC000084789123	545713822	/nfs/dbraw/zinc/71/38/22/545713822.db2.gz	AOCGPMMSGQAWAL-CQSZACIVSA-N	1	0	348.513	0.087	50	30		ECEARO
C[NH+]=C(NCc1ncccc1C)N1CCN(CC(=O)NC2CC2)CC1	ZINC000085790116	217683379	/nfs/dbraw/zinc/68/33/79/217683379.db2.gz	UZBSJAXKUAAKCE-UHFFFAOYSA-N	1	0	344.463	0.362	50	30		ECEARO
C[N@@H+]1CCN(C(=O)C2(C#N)CCOCC2)C[C@@]12CCNC(=O)CC2	ZINC000092098175	218118092	/nfs/dbraw/zinc/11/80/92/218118092.db2.gz	VEYXFJVCIXARTP-QGZVFWFLSA-N	1	0	334.420	0.120	50	30		ECEARO
N#Cc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H](O)C2)cc1	ZINC000097294837	219009889	/nfs/dbraw/zinc/00/98/89/219009889.db2.gz	AMRMFISBHPGJIO-KRWDZBQOSA-N	1	0	329.400	0.856	50	30		ECEARO
Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1/[NH+]=C/N(C)C	ZINC000004028554	435978087	/nfs/dbraw/zinc/97/80/87/435978087.db2.gz	JXLHNKRVUZGAGU-CAOOACKPSA-N	1	0	326.360	0.710	50	30		ECEARO
C#CCN1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	ZINC000075138068	436152932	/nfs/dbraw/zinc/15/29/32/436152932.db2.gz	QDWNDXCLVNCKMW-ROUUACIJSA-N	1	0	334.508	0.862	50	30		ECEARO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(O)CCCC2)CC1	ZINC000089263702	436405686	/nfs/dbraw/zinc/40/56/86/436405686.db2.gz	IYMJFXHMSIQYCT-MRXNPFEDSA-N	1	0	336.480	0.916	50	30		ECEARO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cc1	ZINC000048237286	436444570	/nfs/dbraw/zinc/44/45/70/436444570.db2.gz	PMIMDNMMAJLZHI-LJQANCHMSA-N	1	0	344.459	0.369	50	30		ECEARO
Cn1c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000052486078	214130062	/nfs/dbraw/zinc/13/00/62/214130062.db2.gz	JQPHAZACQGQHRK-AWEZNQCLSA-N	1	0	345.378	0.810	50	30		ECEARO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)N[C@](C)(C#N)C1CC1	ZINC000252517438	282215055	/nfs/dbraw/zinc/21/50/55/282215055.db2.gz	IOPDGKKHBIJUGK-XLMAVXFVSA-N	1	0	334.464	0.978	50	30		ECEARO
C#CCN1CCC([N@@H+]2CCC[C@H](CNC(=O)c3cnon3)C2)CC1	ZINC000067673668	215179280	/nfs/dbraw/zinc/17/92/80/215179280.db2.gz	XVQSSGRUQSMPFF-CQSZACIVSA-N	1	0	331.420	0.609	50	30		ECEARO
COCCNc1nc2c(c(N3CCC[C@@H](C#N)C3)n1)CC[NH2+]CC2	ZINC000072473353	216250096	/nfs/dbraw/zinc/25/00/96/216250096.db2.gz	XINXGMDCLMFWMJ-ZDUSSCGKSA-N	1	0	330.436	0.963	50	30		ECEARO
COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091452421	218008878	/nfs/dbraw/zinc/00/88/78/218008878.db2.gz	HKAOTEMOJQTMRY-IAGOWNOFSA-N	1	0	331.416	0.817	50	30		ECEARO
CC(C)C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+]1CCCC1	ZINC000044406506	278990153	/nfs/dbraw/zinc/99/01/53/278990153.db2.gz	CDUJOWUNHIKKRZ-ZDUSSCGKSA-N	1	0	333.436	0.878	50	30		ECEARO
COC[C@@H](C)NC(=[NH2+])NC[C@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000072272577	436039403	/nfs/dbraw/zinc/03/94/03/436039403.db2.gz	QNMSGHRZPBPHRT-ZBFHGGJFSA-N	1	0	348.447	0.568	50	30		ECEARO
CS(=O)(=O)NCCC[N@@H+]1CC[C@@H](CNc2ncccc2C#N)C1	ZINC000065531055	436666558	/nfs/dbraw/zinc/66/65/58/436666558.db2.gz	WIFXPCIYPYNFHT-ZDUSSCGKSA-N	1	0	337.449	0.626	50	30		ECEARO
Cn1ccc(CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1	ZINC000330206696	437469895	/nfs/dbraw/zinc/46/98/95/437469895.db2.gz	FIWQNDIONUNXAN-UHFFFAOYSA-N	1	0	331.424	1.452	50	30		ECEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(C)C(=O)[C@@H]32)C1=O	ZINC000006007756	435994512	/nfs/dbraw/zinc/99/45/12/435994512.db2.gz	WKEYEADUZFQINL-OAGQMLSPSA-N	1	0	325.368	0.637	50	30		ECEARO
NC(=O)c1cccc(CNC(=[NH2+])N2CCN(c3ccccn3)CC2)c1	ZINC000069819370	435968757	/nfs/dbraw/zinc/96/87/57/435968757.db2.gz	GLUZQRQSGSXEOA-UHFFFAOYSA-N	1	0	338.415	0.817	50	30		ECEARO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300826	436041736	/nfs/dbraw/zinc/04/17/36/436041736.db2.gz	QXDRPGMGVFCKLY-SUMWQHHRSA-N	1	0	336.436	0.721	50	30		ECEARO
COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000253397764	436841397	/nfs/dbraw/zinc/84/13/97/436841397.db2.gz	VWFISJMMVOJDJZ-KGLIPLIRSA-N	1	0	330.454	0.262	50	30		ECEARO
C=CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1	ZINC000022795741	518881351	/nfs/dbraw/zinc/88/13/51/518881351.db2.gz	WPEIJTIXJLRSMU-MRXNPFEDSA-N	1	0	348.422	0.533	50	30		ECEARO
Cn1c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000052486079	214129505	/nfs/dbraw/zinc/12/95/05/214129505.db2.gz	JQPHAZACQGQHRK-CQSZACIVSA-N	1	0	345.378	0.810	50	30		ECEARO
N#Cc1cccnc1N1CCN(c2ncnc3c2CC[NH2+]CC3)CC1	ZINC000072421283	216208972	/nfs/dbraw/zinc/20/89/72/216208972.db2.gz	XSVSCSRZHUYXGT-UHFFFAOYSA-N	1	0	335.415	0.758	50	30		ECEARO
C[NH+]=C(NCCN1CCCS1(=O)=O)NCc1cccc(OC)c1	ZINC000075611961	436166010	/nfs/dbraw/zinc/16/60/10/436166010.db2.gz	AGAPGFIDVNKTPT-UHFFFAOYSA-N	1	0	340.449	0.396	50	30		ECEARO
CC[NH+]=C(NCCNS(=O)(=O)CC)NCCc1cccc(F)c1	ZINC000076016552	436184971	/nfs/dbraw/zinc/18/49/71/436184971.db2.gz	WZACHJFCRJNUSK-UHFFFAOYSA-N	1	0	344.456	0.863	50	30		ECEARO
COc1nccc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)c1C#N	ZINC000077376780	436233420	/nfs/dbraw/zinc/23/34/20/436233420.db2.gz	CCYJPRTVNHXUSD-QGZVFWFLSA-N	1	0	332.404	0.625	50	30		ECEARO
C=CC[S@](=O)C[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138980110	436663348	/nfs/dbraw/zinc/66/33/48/436663348.db2.gz	LWKOLMADZLFMAF-JXMYHYCOSA-N	1	0	336.457	0.563	50	30		ECEARO
N#Cc1cccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)c1	ZINC000257188927	436857364	/nfs/dbraw/zinc/85/73/64/436857364.db2.gz	NFGVDZKMJVDERS-DOTOQJQBSA-N	1	0	329.400	0.760	50	30		ECEARO
C[NH+](C)CC#CCNC(=O)Nc1ccc(CCS(C)(=O)=O)cc1	ZINC000864061686	590053938	/nfs/dbraw/zinc/05/39/38/590053938.db2.gz	ZMAIVJXHVVNZEW-UHFFFAOYSA-N	1	0	337.445	0.960	50	30		ECEARO
Cn1c(NC[C@H](Cc2ccccc2)[NH+](C)C)c(C#N)c(=O)n(C)c1=O	ZINC000012899796	282249997	/nfs/dbraw/zinc/24/99/97/282249997.db2.gz	GFAGBKSGSKLBLN-AWEZNQCLSA-N	1	0	341.415	0.540	50	30		ECEARO
C#CC[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(N)=O	ZINC000095467227	276790268	/nfs/dbraw/zinc/79/02/68/276790268.db2.gz	YNEVPKVKLWDPLD-CQSZACIVSA-N	1	0	329.404	0.437	50	30		ECEARO
CNS(=O)(=O)c1ccc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cc1	ZINC000072159151	277290878	/nfs/dbraw/zinc/29/08/78/277290878.db2.gz	RFRKTAJZHLHKHX-UHFFFAOYSA-N	1	0	343.412	0.756	50	30		ECEARO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C[NH+]1CCN(C)CC1	ZINC000069921444	435976544	/nfs/dbraw/zinc/97/65/44/435976544.db2.gz	UTDINKAWMZJHHH-CQSZACIVSA-N	1	0	343.431	0.496	50	30		ECEARO
COc1ccc(C(=[NH2+])NOC(=O)CCCN2C(=O)CCC2=O)cc1	ZINC000012655425	436053161	/nfs/dbraw/zinc/05/31/61/436053161.db2.gz	CEHGUOPIMMJMAL-UHFFFAOYSA-N	1	0	333.344	0.788	50	30		ECEARO
COC[C@H](C)NC(=[NH2+])NC[C@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000072272576	436038943	/nfs/dbraw/zinc/03/89/43/436038943.db2.gz	QNMSGHRZPBPHRT-HOCLYGCPSA-N	1	0	348.447	0.568	50	30		ECEARO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1	ZINC000089266732	436408294	/nfs/dbraw/zinc/40/82/94/436408294.db2.gz	CLPGGWUBFSEBRY-ULQDDVLXSA-N	1	0	336.480	0.772	50	30		ECEARO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)c1	ZINC000044949625	436356379	/nfs/dbraw/zinc/35/63/79/436356379.db2.gz	KOUGYEJOTYPSAB-IRXDYDNUSA-N	1	0	346.431	0.632	50	30		ECEARO
C=CCN1CCN(Cc2cn(CC[NH+]3CCC(O)CC3)nc2C)CC1	ZINC000065490606	436665692	/nfs/dbraw/zinc/66/56/92/436665692.db2.gz	CQEGSLKEZXXCQA-UHFFFAOYSA-N	1	0	347.507	0.952	50	30		ECEARO
CN(CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cn1	ZINC000252506857	436835561	/nfs/dbraw/zinc/83/55/61/436835561.db2.gz	WTKKDEQBYBQPHP-JKSUJKDBSA-N	1	0	343.431	0.447	50	30		ECEARO
C=CCNC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1	ZINC000091780592	518937881	/nfs/dbraw/zinc/93/78/81/518937881.db2.gz	XRJHCMWDXIKEQG-UHFFFAOYSA-N	1	0	337.445	0.977	50	30		ECEARO
COC[C@@H](C)NC(NCc1cc[nH]n1)=[NH+]CCCN1CCOCC1	ZINC000084640350	612090676	/nfs/dbraw/zinc/09/06/76/612090676.db2.gz	ARJZOVRFAFYINS-CQSZACIVSA-N	1	0	338.456	0.202	50	30		ECEARO
C=CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1	ZINC000069739506	435962730	/nfs/dbraw/zinc/96/27/30/435962730.db2.gz	VCLIYAGZVSQARA-QGZVFWFLSA-N	1	0	338.496	0.799	50	30		ECEARO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1	ZINC000072268773	436037172	/nfs/dbraw/zinc/03/71/72/436037172.db2.gz	YNXKRPLRCJBNIB-SJLPKXTDSA-N	1	0	331.416	0.751	50	30		ECEARO
C[C@](C#N)(NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1)C1CC1	ZINC000072276722	436038790	/nfs/dbraw/zinc/03/87/90/436038790.db2.gz	JOFBCXLRCPMDTG-WMLDXEAASA-N	1	0	328.420	0.843	50	30		ECEARO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@](C)(O)c2cnn(C)c2)CC1	ZINC000076021161	436186665	/nfs/dbraw/zinc/18/66/65/436186665.db2.gz	WTXRMHSJHSBYRE-KRWDZBQOSA-N	1	0	335.452	0.967	50	30		ECEARO
CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000088964879	436405333	/nfs/dbraw/zinc/40/53/33/436405333.db2.gz	BRAMHADGBDEVLY-CYBMUJFWSA-N	1	0	346.439	0.836	50	30		ECEARO
C[N@@H+]1CCC[C@H](C(=O)NCC#CCOc2ccccc2C(N)=O)C1	ZINC000090743718	436437801	/nfs/dbraw/zinc/43/78/01/436437801.db2.gz	XWYQWWGVRKVPEA-AWEZNQCLSA-N	1	0	329.400	0.626	50	30		ECEARO
C=CC[S@@](=O)C[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138760809	436663736	/nfs/dbraw/zinc/66/37/36/436663736.db2.gz	LWKOLMADZLFMAF-UMPGKWJCSA-N	1	0	336.457	0.563	50	30		ECEARO
C=CCn1c(SCc2noc(C(N)=O)n2)nnc1C1CC[NH2+]CC1	ZINC000426502818	438062667	/nfs/dbraw/zinc/06/26/67/438062667.db2.gz	BIFCQAOPCUXCPR-UHFFFAOYSA-N	1	0	349.420	0.705	50	30		ECEARO
CCOCCC[NH+]=C(NCCOC)NCc1cccc(C(N)=O)c1	ZINC000078751802	611869744	/nfs/dbraw/zinc/86/97/44/611869744.db2.gz	LRYRKMLAVCTHEH-UHFFFAOYSA-N	1	0	336.436	0.894	50	30		ECEARO
N#Cc1ccc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)cn1	ZINC000077355965	216881738	/nfs/dbraw/zinc/88/17/38/216881738.db2.gz	SHXBWIAYPCQQDQ-KRWDZBQOSA-N	1	0	330.388	0.253	50	30		ECEARO
CN(C)C(=[NH+]C[C@H]1CCCN(c2nccn3cnnc23)C1)N(C)C	ZINC000096993676	218909371	/nfs/dbraw/zinc/90/93/71/218909371.db2.gz	KXXZDEURIQVBSQ-CYBMUJFWSA-N	1	0	330.440	0.820	50	30		ECEARO
CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069626830	435955240	/nfs/dbraw/zinc/95/52/40/435955240.db2.gz	QZPNBLNFIZBRLP-QAPCUYQASA-N	1	0	336.480	0.819	50	30		ECEARO
CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCC(=O)N(CC#N)CC#N)CC2	ZINC000071871844	436021882	/nfs/dbraw/zinc/02/18/82/436021882.db2.gz	BNDPCGIWGACUHC-ZDUSSCGKSA-N	1	0	329.408	0.572	50	30		ECEARO
CN(CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cn1	ZINC000072269172	436040093	/nfs/dbraw/zinc/04/00/93/436040093.db2.gz	WTKKDEQBYBQPHP-CVEARBPZSA-N	1	0	343.431	0.447	50	30		ECEARO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300827	436041307	/nfs/dbraw/zinc/04/13/07/436041307.db2.gz	QXDRPGMGVFCKLY-CXAGYDPISA-N	1	0	336.436	0.721	50	30		ECEARO
N#Cc1ncn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1	ZINC000012743286	436053448	/nfs/dbraw/zinc/05/34/48/436053448.db2.gz	SGMQWNOFLUZEAQ-HNNXBMFYSA-N	1	0	340.387	0.167	50	30		ECEARO
CCN1C(=O)N[C@](C)([C@H]2CCC[N@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402638	436494077	/nfs/dbraw/zinc/49/40/77/436494077.db2.gz	ATXAHYMKPRBKPS-WMLDXEAASA-N	1	0	344.419	0.797	50	30		ECEARO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000097230962	436541115	/nfs/dbraw/zinc/54/11/15/436541115.db2.gz	YYOIKQBRHFRSLR-IAGOWNOFSA-N	1	0	346.406	0.601	50	30		ECEARO
C=CCN1CC[C@@]2(CN(Cc3ncnn3CC)CC[N@@H+]2C)CCC1=O	ZINC000107702671	436615033	/nfs/dbraw/zinc/61/50/33/436615033.db2.gz	OUVADKPFVJZEDR-GOSISDBHSA-N	1	0	346.479	0.983	50	30		ECEARO
C[C@](O)(C[C@@H](O)CN1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846188	439710312	/nfs/dbraw/zinc/71/03/12/439710312.db2.gz	NDTNBXGWCDNRCS-AEFFLSMTSA-N	1	0	330.432	0.987	50	30		ECEARO
CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)N1CCNC[C@H]1C#N)C2	ZINC000888097472	586349864	/nfs/dbraw/zinc/34/98/64/586349864.db2.gz	KRJZJXWJBISKRU-CQSZACIVSA-N	1	0	344.463	0.616	50	30		ECEARO
[NH2+]=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2nccs2)CC1	ZINC000170593349	609750779	/nfs/dbraw/zinc/75/07/79/609750779.db2.gz	ONSBQSNLHRSRJJ-GFCCVEGCSA-N	1	0	348.476	0.591	50	30		ECEARO
N#Cc1ccnc(N2CCC3(CC[NH+](CC(N)=O)CC3)[C@H](CO)C2)c1	ZINC000097636670	219043054	/nfs/dbraw/zinc/04/30/54/219043054.db2.gz	DSKUESUSVWBXTE-HNNXBMFYSA-N	1	0	343.431	0.339	50	30		ECEARO
C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2	ZINC000091706444	276893885	/nfs/dbraw/zinc/89/38/85/276893885.db2.gz	QAAZZPJJIPCPEM-OAHLLOKOSA-N	1	0	335.448	0.782	50	30		ECEARO
C=CC[NH+]=C(NCCC(=O)NCCOC)NCCc1ccccn1	ZINC000071804100	436014024	/nfs/dbraw/zinc/01/40/24/436014024.db2.gz	CRQXWKFDADKAMG-UHFFFAOYSA-N	1	0	333.436	0.498	50	30		ECEARO
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1	ZINC000071876934	436020657	/nfs/dbraw/zinc/02/06/57/436020657.db2.gz	WBAKJYUQQOQMKK-HUUCEWRRSA-N	1	0	327.388	0.688	50	30		ECEARO
Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)NC3(C#N)CCCC3)C2)no1	ZINC000075602472	436166892	/nfs/dbraw/zinc/16/68/92/436166892.db2.gz	UXMICTFGLVTZQU-CQSZACIVSA-N	1	0	346.435	0.885	50	30		ECEARO
Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)nc3)CC2)nc(N)[nH+]1	ZINC000095524640	436499912	/nfs/dbraw/zinc/49/99/12/436499912.db2.gz	RCAWYQVTTVLVEX-UHFFFAOYSA-N	1	0	338.375	0.988	50	30		ECEARO
C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)C1	ZINC000097756356	436544015	/nfs/dbraw/zinc/54/40/15/436544015.db2.gz	XKHGIMSZZZCSHL-OAHLLOKOSA-N	1	0	326.404	0.959	50	30		ECEARO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000106642320	436600583	/nfs/dbraw/zinc/60/05/83/436600583.db2.gz	IZTGULYCSNXOAW-LSDHHAIUSA-N	1	0	345.399	0.925	50	30		ECEARO
CCOc1ccc(C(=O)C[n+]2ccc(C(=O)NCCO)cc2)cc1	ZINC000004031890	520888498	/nfs/dbraw/zinc/88/84/98/520888498.db2.gz	FEKLHJWKVSGWFT-UHFFFAOYSA-O	1	0	329.376	0.978	50	30		ECEARO
CN1C(=O)N(C)C2(CC[NH+](Cc3cc(C#CCO)cs3)CC2)C1=O	ZINC000216499414	536320651	/nfs/dbraw/zinc/32/06/51/536320651.db2.gz	AXXUHWHBBOOXOW-UHFFFAOYSA-N	1	0	347.440	0.950	50	30		ECEARO
N#Cc1cc2c(ccn(CC[N@H+]3CCCC[C@@H]3CO)c2=O)nc1O	ZINC000067674372	215178515	/nfs/dbraw/zinc/17/85/15/215178515.db2.gz	IJGVQXRQNNWTEU-CYBMUJFWSA-N	1	0	328.372	0.821	50	30		ECEARO
COCCNc1nc2c(c(N3CCC(C#N)CC3)n1)CC[NH2+]CC2	ZINC000072411968	216203494	/nfs/dbraw/zinc/20/34/94/216203494.db2.gz	GFOZMYMAAZOHDT-UHFFFAOYSA-N	1	0	330.436	0.963	50	30		ECEARO
CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104599	436538223	/nfs/dbraw/zinc/53/82/23/436538223.db2.gz	YJFOEGBARKORBD-OAHLLOKOSA-N	1	0	333.392	0.511	50	30		ECEARO
CNC(=O)NC(=O)CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000058401958	436625487	/nfs/dbraw/zinc/62/54/87/436625487.db2.gz	FBTADLQGVGKNEJ-UHFFFAOYSA-N	1	0	330.392	0.311	50	30		ECEARO
N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COCCO)CC2)cc1	ZINC000107364876	436611303	/nfs/dbraw/zinc/61/13/03/436611303.db2.gz	UIOHWPAZJNCKTH-GOSISDBHSA-N	1	0	333.432	0.436	50	30		ECEARO
N#Cc1ccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)nc1	ZINC000065513155	436665431	/nfs/dbraw/zinc/66/54/31/436665431.db2.gz	SCGJQDHXAUMCLO-HNNXBMFYSA-N	1	0	329.404	0.546	50	30		ECEARO
Cn1c2ncn(CCC[NH+]=C3CCCCCN3C)c2c(=O)[nH]c1=O	ZINC000004094843	527125670	/nfs/dbraw/zinc/12/56/70/527125670.db2.gz	NPCMMSMQJZJHKQ-SFQUDFHCSA-N	1	0	332.408	0.718	50	30		ECEARO