smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(C#N)(NCC[NH+](C)C)CC1	ZINC000037940700	187262353	/nfs/dbraw/zinc/26/23/53/187262353.db2.gz	XUPCSSXOYQYXCK-UHFFFAOYSA-N	2	0	238.379	0.904	10	30		BCEERP
C[C@H]1[C@H](N/C(N)=[NH+]/O)CC[N@@H+]1Cc1ccccc1	ZINC000306696167	350847688	/nfs/dbraw/zinc/84/76/88/350847688.db2.gz	WCFTVEDSIVCRCE-CMPLNLGQSA-N	2	0	248.330	0.943	10	30		BCEERP
N#Cc1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1	ZINC000616636559	351126811	/nfs/dbraw/zinc/12/68/11/351126811.db2.gz	WBMNEVUBPYHOBM-ZDUSSCGKSA-N	2	0	230.315	0.463	10	30		BCEERP
N#Cc1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1	ZINC000616654770	351196789	/nfs/dbraw/zinc/19/67/89/351196789.db2.gz	PQOLYOIANBJTSI-CYBMUJFWSA-N	2	0	230.315	0.463	10	30		BCEERP
N[NH+]=C(N)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000307181225	351572425	/nfs/dbraw/zinc/57/24/25/351572425.db2.gz	QQMPXCCQALHQIO-LLVKDONJSA-N	2	0	233.319	0.039	10	30		BCEERP
N/C(CCC[N@@H+]1CCCC[C@@H]1CCO)=N\O	ZINC000019505315	181182540	/nfs/dbraw/zinc/18/25/40/181182540.db2.gz	CSPCBSDKQMCWLA-SNVBAGLBSA-N	2	0	229.324	0.750	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1	ZINC000049609813	181346362	/nfs/dbraw/zinc/34/63/62/181346362.db2.gz	XVCNLHTZPVZTHU-HNNXBMFYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1csc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000061711449	181348018	/nfs/dbraw/zinc/34/80/18/181348018.db2.gz	UFUWCVWHDAHDGI-LLVKDONJSA-N	2	0	236.340	0.625	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261566619	135208736	/nfs/dbraw/zinc/20/87/36/135208736.db2.gz	ZGRQRTGHVWSLTP-NNYUYHANSA-N	2	0	237.347	0.346	10	30		BCEERP
CC[C@@H](C)[NH+]1CCN(/C(N)=[NH+]/O)CC1	ZINC000055085524	346626417	/nfs/dbraw/zinc/62/64/17/346626417.db2.gz	GJWKEELARAUUKV-MRVPVSSYSA-N	2	0	200.286	0.106	10	30		BCEERP
CNC(N[C@@H]1CCN(Cc2ccccc2)C1)=[NH+]N	ZINC000307470510	352617211	/nfs/dbraw/zinc/61/72/11/352617211.db2.gz	VTJHBFIAPKABBZ-GFCCVEGCSA-N	2	0	247.346	0.300	10	30		BCEERP
CC(C)(C)C#CCSC(=[NH2+])NC(N)=[NH2+]	ZINC000300790157	352574380	/nfs/dbraw/zinc/57/43/80/352574380.db2.gz	SXUPMSQDNLLYHI-UHFFFAOYSA-N	2	0	212.322	0.977	10	30		BCEERP
N/C(CCCC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)=N/O	ZINC000104282430	181182811	/nfs/dbraw/zinc/18/28/11/181182811.db2.gz	FTWLHHHHGKRBRG-ZACCUICWSA-N	2	0	241.335	0.891	10	30		BCEERP
Cc1ccsc1CNC(=[NH2+])NC(N)=[NH2+]	ZINC000215979734	357851793	/nfs/dbraw/zinc/85/17/93/357851793.db2.gz	BDXFUWQJQGYFKN-UHFFFAOYSA-N	2	0	211.294	0.145	10	30		BCEERP
N/C(=[NH+]/O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000306497878	360230750	/nfs/dbraw/zinc/23/07/50/360230750.db2.gz	CESSIBTWKVDZCX-UHFFFAOYSA-N	2	0	248.330	0.898	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[N@H+](CCO)C2CC2)cc1	ZINC000042480672	181346061	/nfs/dbraw/zinc/34/60/61/181346061.db2.gz	QNFMOXVBXQOXRT-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CO3)CC[C@H]21	ZINC000227335682	371835652	/nfs/dbraw/zinc/83/56/52/371835652.db2.gz	PZEFLDYKFMGGHH-IJLUTSLNSA-N	2	0	210.321	0.801	10	30		BCEERP
C#CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C	ZINC000262001769	533141651	/nfs/dbraw/zinc/14/16/51/533141651.db2.gz	UMQCMCLLEKGJQB-NWDGAFQWSA-N	2	0	236.363	0.513	10	30		BCEERP
C[NH+]=C(NCC1CC1)NC[C@H]1CCC[N@@H+]1C	ZINC000262786446	135318401	/nfs/dbraw/zinc/31/84/01/135318401.db2.gz	MOQOXWPFXUJYEP-LLVKDONJSA-N	2	0	224.352	0.656	10	30		BCEERP
C[NH+](C)CC1CC[NH+](CCC/C(N)=N/O)CC1	ZINC000042394121	172425581	/nfs/dbraw/zinc/42/55/81/172425581.db2.gz	KSIXQNIMZLVTCX-UHFFFAOYSA-N	2	0	242.367	0.787	10	30		BCEERP
C[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1	ZINC000049608408	173087192	/nfs/dbraw/zinc/08/71/92/173087192.db2.gz	OUUUBQDMUBKPMO-UHFFFAOYSA-N	2	0	243.354	0.744	10	30		BCEERP
COc1ccc(C#CC[NH3+])cc1C[N@H+](C)CCO	ZINC000049609421	175051380	/nfs/dbraw/zinc/05/13/80/175051380.db2.gz	RSSQWTIYNFYXJX-UHFFFAOYSA-N	2	0	248.326	0.430	10	30		BCEERP
C[N+](C)(C)CCOC(=O)[C@@H]1CCC[N+]1(C)C	ZINC000001999360	177487385	/nfs/dbraw/zinc/48/73/85/177487385.db2.gz	MHYPEAHIIJATIR-NSHDSACASA-N	2	0	230.352	0.475	10	30	in-man	BCEERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(N)=[NH+]N	ZINC000306648809	361844034	/nfs/dbraw/zinc/84/40/34/361844034.db2.gz	DNRAXKJWHOKUQE-ZYHUDNBSSA-N	2	0	247.346	0.285	10	30		BCEERP
C[C@H](NC(=[NH2+])NC(N)=[NH2+])c1cccs1	ZINC000034543918	346911603	/nfs/dbraw/zinc/91/16/03/346911603.db2.gz	HIEBFFZCYHHAQW-YFKPBYRVSA-N	2	0	211.294	0.397	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])S[C@@H]1CCCC[C@H]1O	ZINC000215752680	349920201	/nfs/dbraw/zinc/92/02/01/349920201.db2.gz	ATGRKFWSTGRJEF-PHDIDXHHSA-N	2	0	216.310	0.231	10	30		BCEERP
C=CC[NH2+]CCNc1ccnn1C1C[NH2+]C1	ZINC000725258276	538072552	/nfs/dbraw/zinc/07/25/52/538072552.db2.gz	MPGSITBTLNQCRE-UHFFFAOYSA-N	2	0	221.308	0.215	10	30		BCEERP
N#Cc1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1	ZINC000616634283	351117232	/nfs/dbraw/zinc/11/72/32/351117232.db2.gz	PQOLYOIANBJTSI-ZDUSSCGKSA-N	2	0	230.315	0.463	10	30		BCEERP
CNC(N[C@H]1CCN(Cc2ccccc2)C1)=[NH+]N	ZINC000307470511	352617083	/nfs/dbraw/zinc/61/70/83/352617083.db2.gz	VTJHBFIAPKABBZ-LBPRGKRZSA-N	2	0	247.346	0.300	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])NCc1ccc(Cl)s1	ZINC000215901559	353131329	/nfs/dbraw/zinc/13/13/29/353131329.db2.gz	VMGBLUNEUHPUKC-UHFFFAOYSA-N	2	0	231.712	0.490	10	30		BCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCCC1	ZINC000171411705	134258316	/nfs/dbraw/zinc/25/83/16/134258316.db2.gz	YXKOIXUNGRVRGY-NSHDSACASA-N	2	0	224.352	0.752	10	30		BCEERP
[NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@H](O)C1	ZINC000049609801	181346845	/nfs/dbraw/zinc/34/68/45/181346845.db2.gz	FLJWXUQRTMFFPA-HNNXBMFYSA-N	2	0	244.338	0.954	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000631840805	372638781	/nfs/dbraw/zinc/63/87/81/372638781.db2.gz	FIMHDLIRHYVAFS-DCAQKATOSA-N	2	0	225.336	0.204	10	30		BCEERP
CCCN[C@H](C#N)CCN1CC[C@H]([NH+](C)C)C1	ZINC000062968415	169283798	/nfs/dbraw/zinc/28/37/98/169283798.db2.gz	SYVVNSOKJJTDRO-STQMWFEESA-N	2	0	238.379	0.904	10	30		BCEERP
CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000261978893	135268852	/nfs/dbraw/zinc/26/88/52/135268852.db2.gz	OJTHSJCWEZOFOM-NXEZZACHSA-N	2	0	212.341	0.510	10	30		BCEERP
C#CC[NH2+]C[C@@H](C)N1CCC[N@H+](C)CC1	ZINC000053487805	166187497	/nfs/dbraw/zinc/18/74/97/166187497.db2.gz	NRPIRGNXXGQMLV-GFCCVEGCSA-N	2	0	209.337	0.235	10	30		BCEERP
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1	ZINC000040508422	166355500	/nfs/dbraw/zinc/35/55/00/166355500.db2.gz	GUWKQYIWYAFNQS-NSHDSACASA-N	2	0	223.320	0.069	10	30		BCEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCN1C	ZINC000262645443	535078472	/nfs/dbraw/zinc/07/84/72/535078472.db2.gz	IZCAFZBEKNSGRK-GFCCVEGCSA-N	2	0	238.379	0.998	10	30		BCEERP
N#Cc1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1	ZINC000616653747	343531709	/nfs/dbraw/zinc/53/17/09/343531709.db2.gz	HVLJDWMSPLBITG-CYBMUJFWSA-N	2	0	230.315	0.463	10	30		BCEERP
C[C@@H]1CN(C(=[NH2+])NC(N)=[NH2+])C[C@H](C)S1	ZINC000215814155	349931799	/nfs/dbraw/zinc/93/17/99/349931799.db2.gz	RLHJWAGJCLJVQC-OLQVQODUSA-N	2	0	215.326	0.020	10	30		BCEERP
NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)C1	ZINC000106031576	350598359	/nfs/dbraw/zinc/59/83/59/350598359.db2.gz	WKWBNOISLIHRJV-PTNGSMBKSA-N	2	0	231.303	0.731	10	30		BCEERP
N#Cc1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1	ZINC000616636051	351123306	/nfs/dbraw/zinc/12/33/06/351123306.db2.gz	QLFDZDGZTMXHHY-ZDUSSCGKSA-N	2	0	230.315	0.463	10	30		BCEERP
NC(=[NH2+])NN=C1CCc2c1cccc2C(N)=[NH2+]	ZINC000018086647	181188357	/nfs/dbraw/zinc/18/83/57/181188357.db2.gz	CYPGNVSXMAUSJY-SXGWCWSVSA-N	2	0	230.275	0.104	10	30	in-vitro	BCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCCC1	ZINC000171411708	134258019	/nfs/dbraw/zinc/25/80/19/134258019.db2.gz	YXKOIXUNGRVRGY-LLVKDONJSA-N	2	0	224.352	0.752	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000061711468	181345828	/nfs/dbraw/zinc/34/58/28/181345828.db2.gz	JCCUWBBPYULUKO-AWEZNQCLSA-N	2	0	230.311	0.563	10	30		BCEERP
C#CC[NH2+]CCN1CC[NH+](C2CCCC2)CC1	ZINC000053388973	166187575	/nfs/dbraw/zinc/18/75/75/166187575.db2.gz	CXLLVACMJXZXSB-UHFFFAOYSA-N	2	0	235.375	0.769	10	30		BCEERP
C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000195523211	173032151	/nfs/dbraw/zinc/03/21/51/173032151.db2.gz	WYLMKEPJNDEOPL-MNOVXSKESA-N	2	0	240.351	0.164	10	30		BCEERP
C[C@@H]1[C@@H](N/C(N)=[NH+]/O)CC[N@@H+]1Cc1ccccc1	ZINC000306696169	350847978	/nfs/dbraw/zinc/84/79/78/350847978.db2.gz	WCFTVEDSIVCRCE-PWSUYJOCSA-N	2	0	248.330	0.943	10	30		BCEERP
C[C@H]1[C@H](NC(N)=[NH+]N)CC[N@@H+]1Cc1ccccc1	ZINC000306746637	350934397	/nfs/dbraw/zinc/93/43/97/350934397.db2.gz	FBFPCNAWEXXGQX-CMPLNLGQSA-N	2	0	247.346	0.427	10	30		BCEERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N/C(N)=[NH+]/O	ZINC000306879946	351273432	/nfs/dbraw/zinc/27/34/32/351273432.db2.gz	KGOIASSNJBWVST-ZYHUDNBSSA-N	2	0	248.330	0.800	10	30		BCEERP
N/C(NC1CC[NH+](Cc2ccccc2)CC1)=[NH+]\O	ZINC000052833155	353108537	/nfs/dbraw/zinc/10/85/37/353108537.db2.gz	DNVZCBOTIUGAGD-UHFFFAOYSA-N	2	0	248.330	0.945	10	30		BCEERP
C=CCNC(=O)CN(C)[C@H]1CCC[NH2+]CC1	ZINC000231670141	353642395	/nfs/dbraw/zinc/64/23/95/353642395.db2.gz	WNJXTIXHNVPJRS-NSHDSACASA-N	2	0	225.336	0.363	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])S[C@H]1CCCC[C@H]1O	ZINC000215752724	371625301	/nfs/dbraw/zinc/62/53/01/371625301.db2.gz	ATGRKFWSTGRJEF-RITPCOANSA-N	2	0	216.310	0.231	10	30		BCEERP
C=C(Cl)CN1CCN(C)C[C@@H]1C[NH3+]	ZINC000226627315	371710343	/nfs/dbraw/zinc/71/03/43/371710343.db2.gz	QREUWPQSMNCGAR-VIFPVBQESA-N	2	0	203.717	0.314	10	30		BCEERP
C[N@@H+]1C[C@H]2C[NH+](CCS)C[C@@]2(C)C1	ZINC000575551900	387652384	/nfs/dbraw/zinc/65/23/84/387652384.db2.gz	ZGXFDJUBYMKGGP-VHSXEESVSA-N	2	0	200.351	0.800	10	30		BCEERP
C[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCSCC1	ZINC000261976913	135268951	/nfs/dbraw/zinc/26/89/51/135268951.db2.gz	GILLKRBYLKUSQP-JTQLQIEISA-N	2	0	242.392	0.444	10	30		BCEERP
CC[NH+](CC)[C@@H](C)CNC1=[NH+]C[C@H](C)N1	ZINC000262690293	535637433	/nfs/dbraw/zinc/63/74/33/535637433.db2.gz	ZZVNJHRCUVIDKD-UWVGGRQHSA-N	2	0	212.341	0.654	10	30		BCEERP
O=CCC[NH2+]CCCC[NH2+]CCC=O	ZINC000002010265	571682782	/nfs/dbraw/zinc/68/27/82/571682782.db2.gz	WPBJCXUUUSDQJO-UHFFFAOYSA-N	2	0	200.282	0.124	10	30	endogenous,in-man	BCEERP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CO3)CC[C@@H]21	ZINC000250625199	362813574	/nfs/dbraw/zinc/81/35/74/362813574.db2.gz	PZEFLDYKFMGGHH-WOPDTQHZSA-N	2	0	210.321	0.801	10	30		BCEERP
N/C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)=[NH+]/O	ZINC000306707552	350854604	/nfs/dbraw/zinc/85/46/04/350854604.db2.gz	MYVSQHBCDNQOTR-NSHDSACASA-N	2	0	234.303	0.554	10	30		BCEERP
N#Cc1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1	ZINC000616637354	351132407	/nfs/dbraw/zinc/13/24/07/351132407.db2.gz	WBMNEVUBPYHOBM-CYBMUJFWSA-N	2	0	230.315	0.463	10	30		BCEERP
COC[C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)COC	ZINC000309570992	491056922	/nfs/dbraw/zinc/05/69/22/491056922.db2.gz	NPZXSHLMKUQTID-VXGBXAGGSA-N	2	0	228.336	0.239	10	30		BCEERP
N/C(CCC[N@@H+]1CCCC[C@H]1CCO)=N\O	ZINC000019505316	181182469	/nfs/dbraw/zinc/18/24/69/181182469.db2.gz	CSPCBSDKQMCWLA-JTQLQIEISA-N	2	0	229.324	0.750	10	30		BCEERP
N=C(N)Nc1nc(-c2c[nH]c(N)[nH+]2)cs1	ZINC000026268369	181322554	/nfs/dbraw/zinc/32/25/54/181322554.db2.gz	DJEBAFSBIQCGFA-UHFFFAOYSA-N	2	0	223.265	0.020	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[N@H+](CCO)C2CC2)c1	ZINC000042480679	181346272	/nfs/dbraw/zinc/34/62/72/181346272.db2.gz	NEJKXMXFBPJQLC-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCC)CC1	ZINC000236840367	384589695	/nfs/dbraw/zinc/58/96/95/384589695.db2.gz	PXXXFIRUZXBCER-LBPRGKRZSA-N	2	0	239.363	0.880	10	30		BCEERP
CNC(N[C@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C	ZINC000107035211	134390501	/nfs/dbraw/zinc/39/05/01/134390501.db2.gz	OVAZEAFLCXAFOR-JTQLQIEISA-N	2	0	224.352	0.798	10	30		BCEERP
CNC(=[NH2+])N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000263192214	135338497	/nfs/dbraw/zinc/33/84/97/135338497.db2.gz	YUNHOASVCAVMFT-VIFPVBQESA-N	2	0	210.325	0.537	10	30		BCEERP
CC[NH+](CC)[C@@H](C)CNC1=[NH+]CCN1C	ZINC000262686234	535637626	/nfs/dbraw/zinc/63/76/26/535637626.db2.gz	YMJPMFKZUCNUSB-JTQLQIEISA-N	2	0	212.341	0.608	10	30		BCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC1CC1	ZINC000262129390	536304342	/nfs/dbraw/zinc/30/43/42/536304342.db2.gz	NPIYUOLMLLXLKJ-SNVBAGLBSA-N	2	0	210.325	0.408	10	30		BCEERP
C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1	ZINC000249913802	644743887	/nfs/dbraw/zinc/74/38/87/644743887.db2.gz	WYLMKEPJNDEOPL-GHMZBOCLSA-N	2	0	240.351	0.164	10	30		BCEERP
CC[C@H](C)[NH+]1CCN(/C(N)=[NH+]/O)CC1	ZINC000055085526	346626505	/nfs/dbraw/zinc/62/65/05/346626505.db2.gz	GJWKEELARAUUKV-QMMMGPOBSA-N	2	0	200.286	0.106	10	30		BCEERP
C=CCC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1	ZINC000725258609	538075855	/nfs/dbraw/zinc/07/58/55/538075855.db2.gz	VCYOLRUBFYYVTR-JTQLQIEISA-N	2	0	235.335	0.733	10	30		BCEERP
C=CCC1(CNc2ccnn2C2C[NH2+]C2)C[NH2+]C1	ZINC000725258693	538077103	/nfs/dbraw/zinc/07/71/03/538077103.db2.gz	XJLAZIIJVSUQHU-UHFFFAOYSA-N	2	0	247.346	0.605	10	30		BCEERP
C=CCC[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725258737	538077908	/nfs/dbraw/zinc/07/79/08/538077908.db2.gz	YLRAEVSTNUEUBH-JTQLQIEISA-N	2	0	249.318	0.259	10	30		BCEERP
C=CCNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1	ZINC000231670137	353642587	/nfs/dbraw/zinc/64/25/87/353642587.db2.gz	WNJXTIXHNVPJRS-LLVKDONJSA-N	2	0	225.336	0.363	10	30		BCEERP
N#Cc1cccc(NC(=[NH2+])NC(N)=[NH2+])c1	ZINC000020459109	181140361	/nfs/dbraw/zinc/14/03/61/181140361.db2.gz	BKBSZRABIVSIQJ-UHFFFAOYSA-N	2	0	202.221	0.388	10	30		BCEERP
Cc1nc(N2CCN(C)C[C@@H]2C[NH3+])ccc1C#N	ZINC000385839250	360408352	/nfs/dbraw/zinc/40/83/52/360408352.db2.gz	SCPJQTCVMBSMKE-LBPRGKRZSA-N	2	0	245.330	0.341	10	30		BCEERP
N#Cc1sc(NC(C[NH3+])C[NH3+])nc1Cl	ZINC000306583015	360482075	/nfs/dbraw/zinc/48/20/75/360482075.db2.gz	DRFQSCRTSIIVID-UHFFFAOYSA-N	2	0	231.712	0.366	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)s1	ZINC000061711451	181345947	/nfs/dbraw/zinc/34/59/47/181345947.db2.gz	NVQJRDUCPBPGIX-SNVBAGLBSA-N	2	0	236.340	0.625	10	30		BCEERP
NC(=[NH2+])NCCCCC[NH2+]CCCCC[NH3+]	ZINC000013742474	181375301	/nfs/dbraw/zinc/37/53/01/181375301.db2.gz	RLZQVFQTHXKQEX-UHFFFAOYSA-N	3	0	229.372	0.149	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])S[C@H]1CCCC[C@@H]1O	ZINC000215752634	371625256	/nfs/dbraw/zinc/62/52/56/371625256.db2.gz	ATGRKFWSTGRJEF-WDSKDSINSA-N	2	0	216.310	0.231	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])SC1CCOCC1	ZINC000215766972	371626740	/nfs/dbraw/zinc/62/67/40/371626740.db2.gz	PMBPKLXSHISYKB-UHFFFAOYSA-N	2	0	202.283	0.107	10	30		BCEERP
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1/C(N)=N/O	ZINC000307139980	385937969	/nfs/dbraw/zinc/93/79/69/385937969.db2.gz	AVPVFHDRQVXKBW-LLVKDONJSA-N	2	0	248.330	0.897	10	30		BCEERP
C[N@@H+]1C[C@H]2C[NH+](CCS)C[C@]2(C)C1	ZINC000575551898	387651882	/nfs/dbraw/zinc/65/18/82/387651882.db2.gz	ZGXFDJUBYMKGGP-UWVGGRQHSA-N	2	0	200.351	0.800	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261566617	135208674	/nfs/dbraw/zinc/20/86/74/135208674.db2.gz	ZGRQRTGHVWSLTP-BJDJZHNGSA-N	2	0	237.347	0.346	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261566618	135208930	/nfs/dbraw/zinc/20/89/30/135208930.db2.gz	ZGRQRTGHVWSLTP-FIQHERPVSA-N	2	0	237.347	0.346	10	30		BCEERP
C=CCNC(=O)[C@@H](C)N(CC)C1CC[NH2+]CC1	ZINC000037538758	166383021	/nfs/dbraw/zinc/38/30/21/166383021.db2.gz	KNZSVISWIRXUGV-LLVKDONJSA-N	2	0	239.363	0.751	10	30		BCEERP
C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000195523212	173054213	/nfs/dbraw/zinc/05/42/13/173054213.db2.gz	WYLMKEPJNDEOPL-QWRGUYRKSA-N	2	0	240.351	0.164	10	30		BCEERP
C[N+](C)(C)CCOC(=O)[C@H]1CCC[N+]1(C)C	ZINC000001999361	717092193	/nfs/dbraw/zinc/09/21/93/717092193.db2.gz	MHYPEAHIIJATIR-LLVKDONJSA-N	2	0	230.352	0.475	10	30	in-man	BCEERP
C[C@@H]1[C@@H](NC(N)=[NH+]N)CC[N@@H+]1Cc1ccccc1	ZINC000306746639	350934548	/nfs/dbraw/zinc/93/45/48/350934548.db2.gz	FBFPCNAWEXXGQX-PWSUYJOCSA-N	2	0	247.346	0.427	10	30		BCEERP
N#Cc1ccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)cc1	ZINC000616633950	351115850	/nfs/dbraw/zinc/11/58/50/351115850.db2.gz	HVLJDWMSPLBITG-ZDUSSCGKSA-N	2	0	230.315	0.463	10	30		BCEERP
C[C@H]1C[NH2+]CCN1Cc1cc(C#CC[NH3+])cs1	ZINC000725273921	538104866	/nfs/dbraw/zinc/10/48/66/538104866.db2.gz	UWRGVOWHLQAFMT-NSHDSACASA-N	2	0	249.383	0.852	10	30		BCEERP
C[C@H]1C[C@@H](NC(N)=[NH+]N)C[N@@H+]1Cc1ccccc1	ZINC000306624374	361286089	/nfs/dbraw/zinc/28/60/89/361286089.db2.gz	XMFWOODWEHOKEU-CMPLNLGQSA-N	2	0	247.346	0.427	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1	ZINC000049609814	181345720	/nfs/dbraw/zinc/34/57/20/181345720.db2.gz	XVCNLHTZPVZTHU-OAHLLOKOSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000049608660	181346704	/nfs/dbraw/zinc/34/67/04/181346704.db2.gz	FQLYTLQUAOTZAB-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@@H](O)C1	ZINC000049609802	181346793	/nfs/dbraw/zinc/34/67/93/181346793.db2.gz	FLJWXUQRTMFFPA-OAHLLOKOSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1ccccc1C[NH+]1CCC(O)CC1	ZINC000049608659	181346822	/nfs/dbraw/zinc/34/68/22/181346822.db2.gz	NDBVUZIRHMJILE-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000061711469	181346943	/nfs/dbraw/zinc/34/69/43/181346943.db2.gz	JCCUWBBPYULUKO-CQSZACIVSA-N	2	0	230.311	0.563	10	30		BCEERP
[NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000049609754	181346633	/nfs/dbraw/zinc/34/66/33/181346633.db2.gz	UUQWNTFMCGFIKT-OAHLLOKOSA-N	2	0	244.338	0.954	10	30		BCEERP
CCC[NH+]1CCC(C#N)(NCC[NH+](C)C)CC1	ZINC000037940679	169187056	/nfs/dbraw/zinc/18/70/56/169187056.db2.gz	JOZVWRUHTQVOAQ-UHFFFAOYSA-N	2	0	238.379	0.906	10	30		BCEERP
Cc1cc(NC[C@H]([NH3+])C2CC2)c(C#N)cn1	ZINC000398995118	386411041	/nfs/dbraw/zinc/41/10/41/386411041.db2.gz	OGUXGHHPMAORLA-NSHDSACASA-N	2	0	216.288	0.833	10	30		BCEERP
C[N@@H+]1C[C@@H]2C[NH+](CCS)C[C@]2(C)C1	ZINC000575551901	387652520	/nfs/dbraw/zinc/65/25/20/387652520.db2.gz	ZGXFDJUBYMKGGP-ZJUUUORDSA-N	2	0	200.351	0.800	10	30		BCEERP
C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1	ZINC000261976915	135268939	/nfs/dbraw/zinc/26/89/39/135268939.db2.gz	GILLKRBYLKUSQP-SNVBAGLBSA-N	2	0	242.392	0.444	10	30		BCEERP
C[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1	ZINC000049608409	173086731	/nfs/dbraw/zinc/08/67/31/173086731.db2.gz	PFLXGQBJVZDGGU-UHFFFAOYSA-N	2	0	243.354	0.744	10	30		BCEERP
C[N@H+]1[C@@H]2CC[C@H]1CC(C#N)(N1CCC[NH2+]CC1)C2	ZINC000037940347	173207098	/nfs/dbraw/zinc/20/70/98/173207098.db2.gz	JSVOFTXWVAXHAY-PBWFPOADSA-N	2	0	248.374	0.801	10	30		BCEERP
C=CC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1	ZINC000725258296	538072984	/nfs/dbraw/zinc/07/29/84/538072984.db2.gz	NNNDXSBLSPNUPU-VIFPVBQESA-N	2	0	221.308	0.343	10	30		BCEERP
N/C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)=[NH+]/O	ZINC000306707551	350854306	/nfs/dbraw/zinc/85/43/06/350854306.db2.gz	MYVSQHBCDNQOTR-LLVKDONJSA-N	2	0	234.303	0.554	10	30		BCEERP
N#Cc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1	ZINC000616636874	351129418	/nfs/dbraw/zinc/12/94/18/351129418.db2.gz	QLFDZDGZTMXHHY-CYBMUJFWSA-N	2	0	230.315	0.463	10	30		BCEERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N/C(N)=[NH+]/O	ZINC000306879945	351273652	/nfs/dbraw/zinc/27/36/52/351273652.db2.gz	KGOIASSNJBWVST-PWSUYJOCSA-N	2	0	248.330	0.800	10	30		BCEERP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N/C(N)=[NH+]/O	ZINC000306879944	351273685	/nfs/dbraw/zinc/27/36/85/351273685.db2.gz	KGOIASSNJBWVST-JQWIXIFHSA-N	2	0	248.330	0.800	10	30		BCEERP
N/C(CCCC[NH+]1CCN(C2CC2)CC1)=N/O	ZINC000049580291	181182533	/nfs/dbraw/zinc/18/25/33/181182533.db2.gz	KMLPGONNXAVRLM-UHFFFAOYSA-N	2	0	240.351	0.683	10	30		BCEERP
Cc1nc(N2CCN(C)C[C@H]2C[NH3+])ccc1C#N	ZINC000385839243	360408079	/nfs/dbraw/zinc/40/80/79/360408079.db2.gz	SCPJQTCVMBSMKE-GFCCVEGCSA-N	2	0	245.330	0.341	10	30		BCEERP
C[C@@H]1C[C@H](NC(N)=[NH+]N)C[N@@H+]1Cc1ccccc1	ZINC000306624376	361284802	/nfs/dbraw/zinc/28/48/02/361284802.db2.gz	XMFWOODWEHOKEU-PWSUYJOCSA-N	2	0	247.346	0.427	10	30		BCEERP
C#Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000029219695	533342687	/nfs/dbraw/zinc/34/26/87/533342687.db2.gz	PPEHVXAWWXYNIX-UHFFFAOYSA-N	2	0	241.298	0.853	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261566620	135208746	/nfs/dbraw/zinc/20/87/46/135208746.db2.gz	ZGRQRTGHVWSLTP-YFKTTZPYSA-N	2	0	237.347	0.346	10	30		BCEERP
C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1	ZINC000262020151	135273380	/nfs/dbraw/zinc/27/33/80/135273380.db2.gz	XPRCXDDEDFUINH-LLVKDONJSA-N	2	0	224.352	0.785	10	30		BCEERP
CN(C)C(=[NH+]C[C@H]1CCC[N@@H+]1C)N(C)C	ZINC000262024878	135273619	/nfs/dbraw/zinc/27/36/19/135273619.db2.gz	ZCHDFTHCSQHRSJ-SNVBAGLBSA-N	2	0	212.341	0.560	10	30		BCEERP
CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+]1C)N(C)C	ZINC000262024876	135273862	/nfs/dbraw/zinc/27/38/62/135273862.db2.gz	ZCHDFTHCSQHRSJ-JTQLQIEISA-N	2	0	212.341	0.560	10	30		BCEERP
COc1ccc(C[N@H+](C)CCO)cc1C#CC[NH3+]	ZINC000049609422	175096063	/nfs/dbraw/zinc/09/60/63/175096063.db2.gz	BCUIBSJZFWLBKR-UHFFFAOYSA-N	2	0	248.326	0.430	10	30		BCEERP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CO3)CC[C@H]21	ZINC000250625197	362813726	/nfs/dbraw/zinc/81/37/26/362813726.db2.gz	PZEFLDYKFMGGHH-GRYCIOLGSA-N	2	0	210.321	0.801	10	30		BCEERP
C[C@@H]1[C@H](N/C(N)=[NH+]/O)CC[N@@H+]1Cc1ccccc1	ZINC000306696170	350847834	/nfs/dbraw/zinc/84/78/34/350847834.db2.gz	WCFTVEDSIVCRCE-ZYHUDNBSSA-N	2	0	248.330	0.943	10	30		BCEERP
C[C@H]1[C@@H](NC(N)=[NH+]N)CC[N@@H+]1Cc1ccccc1	ZINC000306746638	350934349	/nfs/dbraw/zinc/93/43/49/350934349.db2.gz	FBFPCNAWEXXGQX-JQWIXIFHSA-N	2	0	247.346	0.427	10	30		BCEERP
[NH3+]CC#Cc1cccc(C[NH+]2CCC(O)CC2)c1	ZINC000049608665	181346437	/nfs/dbraw/zinc/34/64/37/181346437.db2.gz	YCBRLRBMUOJQPP-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
C#CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000262001771	533141764	/nfs/dbraw/zinc/14/17/64/533141764.db2.gz	UMQCMCLLEKGJQB-VXGBXAGGSA-N	2	0	236.363	0.513	10	30		BCEERP
C[NH2+][C@H](C)CNc1cc(C)ncc1C#N	ZINC000398995538	386410783	/nfs/dbraw/zinc/41/07/83/386410783.db2.gz	OOSZVZKOHCWJTC-SECBINFHSA-N	2	0	204.277	0.703	10	30		BCEERP
C=CC1([NH+]2CCC(O)CC2)CC[NH2+]CC1	ZINC000536954999	387167831	/nfs/dbraw/zinc/16/78/31/387167831.db2.gz	PKONKFMBSQFTDV-UHFFFAOYSA-N	2	0	210.321	0.751	10	30		BCEERP
C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1	ZINC000262020152	135272871	/nfs/dbraw/zinc/27/28/71/135272871.db2.gz	XPRCXDDEDFUINH-NSHDSACASA-N	2	0	224.352	0.785	10	30		BCEERP
C[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1	ZINC000049608414	173088542	/nfs/dbraw/zinc/08/85/42/173088542.db2.gz	KIJYJDBSXASPIT-UHFFFAOYSA-N	2	0	243.354	0.744	10	30		BCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC1CC1	ZINC000262129389	536304712	/nfs/dbraw/zinc/30/47/12/536304712.db2.gz	NPIYUOLMLLXLKJ-JTQLQIEISA-N	2	0	210.325	0.408	10	30		BCEERP
C[N@@H+]1CC[C@@H]2C[NH+](CCS)C[C@H]2C1	ZINC000307081392	353053421	/nfs/dbraw/zinc/05/34/21/353053421.db2.gz	JHCBMMBQMDTKPX-NXEZZACHSA-N	2	0	200.351	0.800	10	30		BCEERP
N#Cc1ccc(O[C@H]2C[C@H]([NH3+])C[C@@H]2[NH3+])cc1	ZINC000169324531	181129029	/nfs/dbraw/zinc/12/90/29/181129029.db2.gz	RLIYCDOWAWVRBI-USWWRNFRSA-N	2	0	217.272	0.754	10	30		BCEERP
N#Cc1cccc(OC[C@H](O)C[NH2+]CCC[NH3+])c1	ZINC000051356224	181143002	/nfs/dbraw/zinc/14/30/02/181143002.db2.gz	GOTDVJGHWONKHI-GFCCVEGCSA-N	2	0	249.314	0.236	10	30		BCEERP
C[N@@H+]1CC[C@]2(CC[NH+](CCS)C2)C1	ZINC000306425013	359867809	/nfs/dbraw/zinc/86/78/09/359867809.db2.gz	ITCJKWSNIFUYNK-JTQLQIEISA-N	2	0	200.351	0.944	10	30		BCEERP
C[N@@H+]1CC[C@@]2(CC[NH+](CCS)C2)C1	ZINC000306425014	359867980	/nfs/dbraw/zinc/86/79/80/359867980.db2.gz	ITCJKWSNIFUYNK-SNVBAGLBSA-N	2	0	200.351	0.944	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1	ZINC000631840806	372638545	/nfs/dbraw/zinc/63/85/45/372638545.db2.gz	FIMHDLIRHYVAFS-GARJFASQSA-N	2	0	225.336	0.204	10	30		BCEERP
C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCC)CC1	ZINC000236934293	134487744	/nfs/dbraw/zinc/48/77/44/134487744.db2.gz	PXXXFIRUZXBCER-GFCCVEGCSA-N	2	0	239.363	0.880	10	30		BCEERP
C#CC[NH2+]C[C@@H](C)N1CC[NH+](CC2CC2)CC1	ZINC000053498562	166187950	/nfs/dbraw/zinc/18/79/50/166187950.db2.gz	QDKJLEGBWLJTKP-CYBMUJFWSA-N	2	0	235.375	0.625	10	30		BCEERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(N)=[NH+]N	ZINC000306648804	361844335	/nfs/dbraw/zinc/84/43/35/361844335.db2.gz	DNRAXKJWHOKUQE-PWSUYJOCSA-N	2	0	247.346	0.285	10	30		BCEERP
C=CC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1	ZINC000725258295	538072815	/nfs/dbraw/zinc/07/28/15/538072815.db2.gz	NNNDXSBLSPNUPU-SECBINFHSA-N	2	0	221.308	0.343	10	30		BCEERP
C=CCC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1	ZINC000725258610	538076249	/nfs/dbraw/zinc/07/62/49/538076249.db2.gz	VCYOLRUBFYYVTR-SNVBAGLBSA-N	2	0	235.335	0.733	10	30		BCEERP
C[C@@H]1[C@H](NC(N)=[NH+]N)CC[N@@H+]1Cc1ccccc1	ZINC000306746640	350934587	/nfs/dbraw/zinc/93/45/87/350934587.db2.gz	FBFPCNAWEXXGQX-ZYHUDNBSSA-N	2	0	247.346	0.427	10	30		BCEERP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N/C(N)=[NH+]/O	ZINC000306879943	351273521	/nfs/dbraw/zinc/27/35/21/351273521.db2.gz	KGOIASSNJBWVST-CMPLNLGQSA-N	2	0	248.330	0.800	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1	ZINC000049609804	181346925	/nfs/dbraw/zinc/34/69/25/181346925.db2.gz	BCLZEOWDJAMTTP-OAHLLOKOSA-N	2	0	244.338	0.954	10	30		BCEERP
NC(=[NH2+])NC(=[NH2+])S[C@@H]1CCCC[C@@H]1O	ZINC000215752588	371625865	/nfs/dbraw/zinc/62/58/65/371625865.db2.gz	ATGRKFWSTGRJEF-NTSWFWBYSA-N	2	0	216.310	0.231	10	30		BCEERP
CNC(N[C@@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C	ZINC000107035207	134390011	/nfs/dbraw/zinc/39/00/11/134390011.db2.gz	OVAZEAFLCXAFOR-SNVBAGLBSA-N	2	0	224.352	0.798	10	30		BCEERP
CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+]1C)C1CC1	ZINC000262162542	135282940	/nfs/dbraw/zinc/28/29/40/135282940.db2.gz	BFJUQRSOPIDVOU-JTQLQIEISA-N	2	0	210.325	0.490	10	30		BCEERP
C[NH+]=C(NCC1CC1)NC[C@@H]1CCC[N@@H+]1C	ZINC000262786447	135318336	/nfs/dbraw/zinc/31/83/36/135318336.db2.gz	MOQOXWPFXUJYEP-NSHDSACASA-N	2	0	224.352	0.656	10	30		BCEERP
C=CC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1	ZINC000040508421	166355785	/nfs/dbraw/zinc/35/57/85/166355785.db2.gz	GUWKQYIWYAFNQS-LLVKDONJSA-N	2	0	223.320	0.069	10	30		BCEERP
CC[NH2+]CCCCCCCNC(N)=[NH2+]	ZINC000013742484	170111979	/nfs/dbraw/zinc/11/19/79/170111979.db2.gz	AJYARMNKTAKAGT-UHFFFAOYSA-N	2	0	200.330	0.820	10	30		BCEERP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(N)=[NH+]N	ZINC000306648798	361844001	/nfs/dbraw/zinc/84/40/01/361844001.db2.gz	DNRAXKJWHOKUQE-JQWIXIFHSA-N	2	0	247.346	0.285	10	30		BCEERP
C[C@@H]1C[C@@H](NC(N)=[NH+]N)C[N@@H+]1Cc1ccccc1	ZINC000306624377	361285126	/nfs/dbraw/zinc/28/51/26/361285126.db2.gz	XMFWOODWEHOKEU-ZYHUDNBSSA-N	2	0	247.346	0.427	10	30		BCEERP
[NH3+]CC#Cc1ccsc1C[N@@H+]1CC[C@@H](O)C1	ZINC000061711453	181348297	/nfs/dbraw/zinc/34/82/97/181348297.db2.gz	ZVSDFKHNJUISHL-LLVKDONJSA-N	2	0	236.340	0.625	10	30		BCEERP
NC(=[NH2+])Nc1ncc(CSCC[NH3+])s1	ZINC000039395685	387493932	/nfs/dbraw/zinc/49/39/32/387493932.db2.gz	TVCSZUNRQVBSKR-UHFFFAOYSA-N	2	0	231.350	0.240	10	30		BCEERP
C#CC[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC	ZINC000083354150	166206584	/nfs/dbraw/zinc/20/65/84/166206584.db2.gz	GBPFQJOGWJNCEW-NSHDSACASA-N	2	0	225.336	0.185	10	30		BCEERP
C[C@@H]1C[NH2+]CCN1Cc1cc(C#CC[NH3+])cs1	ZINC000725273920	538104987	/nfs/dbraw/zinc/10/49/87/538104987.db2.gz	UWRGVOWHLQAFMT-LLVKDONJSA-N	2	0	249.383	0.852	10	30		BCEERP
CN(CC#CC[NH+]1CCCC1)C(=O)CCC[NH3+]	ZINC000027853829	356674361	/nfs/dbraw/zinc/67/43/61/356674361.db2.gz	JOOZBPJGFIAYGB-UHFFFAOYSA-N	2	0	237.347	0.283	10	30		BCEERP
COC[C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)COC	ZINC000309570987	491151858	/nfs/dbraw/zinc/15/18/58/491151858.db2.gz	NPZXSHLMKUQTID-RYUDHWBXSA-N	2	0	228.336	0.239	10	30		BCEERP
CCC[NH+]1CCC(C#N)(N2CC[NH2+]CC2)CC1	ZINC000019385677	169186886	/nfs/dbraw/zinc/18/68/86/169186886.db2.gz	GKCDCAFQFQQXJQ-UHFFFAOYSA-N	2	0	236.363	0.660	10	30		BCEERP
CN(Cc1ccccc1)C(=[NH2+])NC(N)=[NH2+]	ZINC000031622231	385090732	/nfs/dbraw/zinc/09/07/32/385090732.db2.gz	GPXUSYVWBVWXJU-UHFFFAOYSA-N	2	0	205.265	0.327	10	30	in-vitro	BCEERP
Cc1cc(NC[C@@H]([NH3+])C2CC2)c(C#N)cn1	ZINC000398995117	386411000	/nfs/dbraw/zinc/41/10/00/386411000.db2.gz	OGUXGHHPMAORLA-LLVKDONJSA-N	2	0	216.288	0.833	10	30		BCEERP
CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261978894	135268616	/nfs/dbraw/zinc/26/86/16/135268616.db2.gz	OJTHSJCWEZOFOM-VHSXEESVSA-N	2	0	212.341	0.510	10	30		BCEERP
CN(C(=[NH2+])NC[C@H]1CCC[N@@H+]1C)C1CC1	ZINC000262162546	135282783	/nfs/dbraw/zinc/28/27/83/135282783.db2.gz	BFJUQRSOPIDVOU-SNVBAGLBSA-N	2	0	210.325	0.490	10	30		BCEERP
CNC(=[NH2+])N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000263192213	135338596	/nfs/dbraw/zinc/33/85/96/135338596.db2.gz	YUNHOASVCAVMFT-SECBINFHSA-N	2	0	210.325	0.537	10	30		BCEERP
COC[C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)COC	ZINC000309570989	491151870	/nfs/dbraw/zinc/15/18/70/491151870.db2.gz	NPZXSHLMKUQTID-TXEJJXNPSA-N	2	0	228.336	0.239	10	30		BCEERP
CC[NH+](CC)[C@@H](C)CNC1=[NH+]C[C@@H](C)N1	ZINC000262690296	535638280	/nfs/dbraw/zinc/63/82/80/535638280.db2.gz	ZZVNJHRCUVIDKD-ZJUUUORDSA-N	2	0	212.341	0.654	10	30		BCEERP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(N)=[NH+]N	ZINC000306648790	361844780	/nfs/dbraw/zinc/84/47/80/361844780.db2.gz	DNRAXKJWHOKUQE-CMPLNLGQSA-N	2	0	247.346	0.285	10	30		BCEERP
C#CC[N@@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863152	136363517	/nfs/dbraw/zinc/36/35/17/136363517.db2.gz	UWEXMIYTZJEFOK-UHFFFAOYSA-N	2	0	246.358	0.913	10	30		BCEERP
N#Cc1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+]	ZINC000616636974	351130588	/nfs/dbraw/zinc/13/05/88/351130588.db2.gz	ZCIQMYXBXAMQKV-ZDUSSCGKSA-N	2	0	230.315	0.463	10	30		BCEERP
N#Cc1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+]	ZINC000616637571	351133994	/nfs/dbraw/zinc/13/39/94/351133994.db2.gz	ZCIQMYXBXAMQKV-CYBMUJFWSA-N	2	0	230.315	0.463	10	30		BCEERP
N[NH+]=C(N)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000307181226	351572776	/nfs/dbraw/zinc/57/27/76/351572776.db2.gz	QQMPXCCQALHQIO-NSHDSACASA-N	2	0	233.319	0.039	10	30		BCEERP
C(CN1CCC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CO1	ZINC000307665987	352747599	/nfs/dbraw/zinc/74/75/99/352747599.db2.gz	BJJOOHLTEYJISP-VXGBXAGGSA-N	2	0	210.321	0.945	10	30		BCEERP
C[C@H]1C[C@H](NC(N)=[NH+]N)C[N@@H+]1Cc1ccccc1	ZINC000306624375	361284978	/nfs/dbraw/zinc/28/49/78/361284978.db2.gz	XMFWOODWEHOKEU-JQWIXIFHSA-N	2	0	247.346	0.427	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[N@@H+]2CC[C@H](O)C2)s1	ZINC000061711450	181345759	/nfs/dbraw/zinc/34/57/59/181345759.db2.gz	NVQJRDUCPBPGIX-JTQLQIEISA-N	2	0	236.340	0.625	10	30		BCEERP
[NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000049609755	181346326	/nfs/dbraw/zinc/34/63/26/181346326.db2.gz	UUQWNTFMCGFIKT-HNNXBMFYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1	ZINC000049609803	181346475	/nfs/dbraw/zinc/34/64/75/181346475.db2.gz	BCLZEOWDJAMTTP-HNNXBMFYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1ccsc1C[N@@H+]1CC[C@H](O)C1	ZINC000061711452	181348677	/nfs/dbraw/zinc/34/86/77/181348677.db2.gz	ZVSDFKHNJUISHL-NSHDSACASA-N	2	0	236.340	0.625	10	30		BCEERP
C[C@H]1C[N@H+](Cc2ccccc2)CCN1/C(N)=N/O	ZINC000307139985	385938524	/nfs/dbraw/zinc/93/85/24/385938524.db2.gz	AVPVFHDRQVXKBW-NSHDSACASA-N	2	0	248.330	0.897	10	30		BCEERP
CN(C)C(=[N+](C)C)[N+]1=N[N+](=O)c2ncccc21	ZINC000575318157	387539706	/nfs/dbraw/zinc/53/97/06/387539706.db2.gz	PZWZHYIUDNEFST-UHFFFAOYSA-N	3	0	235.271	0.707	10	30		BCEERP
C[NH+]1CCN(CCC[NH2+]CCC#N)CC1	ZINC000027735319	173079327	/nfs/dbraw/zinc/07/93/27/173079327.db2.gz	QRNOPNSBXSCWQX-UHFFFAOYSA-N	2	0	210.325	0.127	10	30		BCEERP
C=CCC[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725258738	538077569	/nfs/dbraw/zinc/07/75/69/538077569.db2.gz	YLRAEVSTNUEUBH-SNVBAGLBSA-N	2	0	249.318	0.259	10	30		BCEERP
C[C@H]1[C@@H](N/C(N)=[NH+]/O)CC[N@@H+]1Cc1ccccc1	ZINC000306696168	350847962	/nfs/dbraw/zinc/84/79/62/350847962.db2.gz	WCFTVEDSIVCRCE-JQWIXIFHSA-N	2	0	248.330	0.943	10	30		BCEERP
N#Cc1cccc(OC[C@@H](O)C[NH2+]CCC[NH3+])c1	ZINC000051356225	181142458	/nfs/dbraw/zinc/14/24/58/181142458.db2.gz	GOTDVJGHWONKHI-LBPRGKRZSA-N	2	0	249.314	0.236	10	30		BCEERP
NC(=[NH2+])NN=C1CCc2c1cccc2C(N)=[NH2+]	ZINC000100023874	181187828	/nfs/dbraw/zinc/18/78/28/181187828.db2.gz	CYPGNVSXMAUSJY-CXUHLZMHSA-N	2	0	230.275	0.104	10	30	investigational	BCEERP
[NH3+]CC#Cc1ccccc1C[N@H+](CCO)C1CC1	ZINC000042480670	181345684	/nfs/dbraw/zinc/34/56/84/181345684.db2.gz	FRLPMZJCELQQCI-UHFFFAOYSA-N	2	0	244.338	0.954	10	30		BCEERP
[NH3+]CC#Cc1csc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000061711448	181348686	/nfs/dbraw/zinc/34/86/86/181348686.db2.gz	UFUWCVWHDAHDGI-NSHDSACASA-N	2	0	236.340	0.625	10	30		BCEERP
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000631840808	369311486	/nfs/dbraw/zinc/31/14/86/369311486.db2.gz	FIMHDLIRHYVAFS-VWYCJHECSA-N	2	0	225.336	0.204	10	30		BCEERP
C[C@@H]1CN(C(=[NH2+])NC(N)=[NH2+])C[C@@H](C)S1	ZINC000215814204	371636175	/nfs/dbraw/zinc/63/61/75/371636175.db2.gz	RLHJWAGJCLJVQC-PHDIDXHHSA-N	2	0	215.326	0.020	10	30		BCEERP
C[C@H]1CN(C(=[NH2+])NC(N)=[NH2+])C[C@H](C)S1	ZINC000215814246	371637360	/nfs/dbraw/zinc/63/73/60/371637360.db2.gz	RLHJWAGJCLJVQC-WDSKDSINSA-N	2	0	215.326	0.020	10	30		BCEERP
C[N@@H+]1C[C@@H]2C[NH+](CCS)C[C@@]2(C)C1	ZINC000575551897	387652068	/nfs/dbraw/zinc/65/20/68/387652068.db2.gz	ZGXFDJUBYMKGGP-NXEZZACHSA-N	2	0	200.351	0.800	10	30		BCEERP
C[NH+](C)CCNC(=O)c1ccccc1C#CC[NH3+]	ZINC000037569897	172463881	/nfs/dbraw/zinc/46/38/81/172463881.db2.gz	GEPGLXBHYAWCOA-UHFFFAOYSA-N	2	0	245.326	0.288	10	30		BCEERP
NC(=[NH2+])NN=C1CCc2c1cccc2C(N)=[NH2+]	ZINC000255003859	526817431	/nfs/dbraw/zinc/81/74/31/526817431.db2.gz	CYPGNVSXMAUSJY-UHFFFAOYSA-N	2	0	230.275	0.104	10	30	in-vitro	BCEERP
C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1	ZINC000249913805	632540021	/nfs/dbraw/zinc/54/00/21/632540021.db2.gz	WYLMKEPJNDEOPL-WDEREUQCSA-N	2	0	240.351	0.164	10	30		BCEERP