smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NC[C@H](c1ccc(C)cc1)N(C)C)=[NH+]C	ZINC000065502983	187273579	/nfs/dbraw/zinc/27/35/79/187273579.db2.gz	MAGVPUFDQKVNRD-CYBMUJFWSA-N	2	0	248.374	1.393	50	30		BDEARP
C=CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C	ZINC000020130071	386791281	/nfs/dbraw/zinc/79/12/81/386791281.db2.gz	ILNUCEWDXDXWSO-ZDUSSCGKSA-N	2	0	225.380	1.082	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC	ZINC000058185106	398072199	/nfs/dbraw/zinc/07/21/99/398072199.db2.gz	BFEQEGODLFGMMD-GHMZBOCLSA-N	2	0	228.384	1.420	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C	ZINC000069703279	171246530	/nfs/dbraw/zinc/24/65/30/171246530.db2.gz	JMEQWRBUZDSZMA-RYUDHWBXSA-N	2	0	240.395	1.564	50	30		BDEARP
C=CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C	ZINC000020130069	386791013	/nfs/dbraw/zinc/79/10/13/386791013.db2.gz	ILNUCEWDXDXWSO-CYBMUJFWSA-N	2	0	225.380	1.082	50	30		BDEARP
C[C@@H]1C[N@H+](C)[C@@H](C)C/C1=N/CCC[NH+](C)C	ZINC000013773707	177060976	/nfs/dbraw/zinc/06/09/76/177060976.db2.gz	WXBSYPBNTYUKFU-XWMVSFSJSA-N	2	0	225.380	1.739	50	30		BDEARP
C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000253416442	526196239	/nfs/dbraw/zinc/19/62/39/526196239.db2.gz	BZBRWOUNGHKXGU-WDEREUQCSA-N	2	0	238.379	1.174	50	30		BDEARP
[NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1	ZINC000328596321	527355522	/nfs/dbraw/zinc/35/55/22/527355522.db2.gz	GNNNIVKIUSQDHS-QJPTWQEYSA-N	2	0	239.363	1.603	50	30		BDEARP
C[NH+](C)/C=C/C=C/C(=O)/C=C/C=C\[NH+](C)C	ZINC000055484093	640474784	/nfs/dbraw/zinc/47/47/84/640474784.db2.gz	YQSZEDFRRCUOKE-HWYSSUMRSA-N	2	0	220.316	1.819	50	30		BDEARP
C=C(C)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000069658981	187277235	/nfs/dbraw/zinc/27/72/35/187277235.db2.gz	CGGFKBLPGZGGAD-ZDUSSCGKSA-N	2	0	240.391	1.587	50	30		BDEARP
C[NH+]=C(NCCC[NH+](C(C)C)C(C)C)N(C)C	ZINC000095963373	187288943	/nfs/dbraw/zinc/28/89/43/187288943.db2.gz	AEUBTZPYFIXXFZ-UHFFFAOYSA-N	2	0	242.411	1.632	50	30		BDEARP
N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1	ZINC000044527872	181104230	/nfs/dbraw/zinc/10/42/30/181104230.db2.gz	UGQRVJNTWRSBII-AWEZNQCLSA-N	2	0	229.327	1.729	50	30		BDEARP
CCNC(NCCC[NH+](C(C)C)C(C)C)=[NH+]C	ZINC000095406722	371278805	/nfs/dbraw/zinc/27/88/05/371278805.db2.gz	AWRDDSLJCGFIGC-UHFFFAOYSA-N	2	0	242.411	1.680	50	30		BDEARP
CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+]1CCCC1	ZINC000075127921	356869437	/nfs/dbraw/zinc/86/94/37/356869437.db2.gz	PGPBNQZRIZQSOH-LBPRGKRZSA-N	2	0	240.395	1.375	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NCCCC[N@H+](C)C(C)C	ZINC000058304769	384995879	/nfs/dbraw/zinc/99/58/79/384995879.db2.gz	ORVTZDPUDBAMDY-GFCCVEGCSA-N	2	0	242.411	1.810	50	30		BDEARP
C[C@@H]1CCC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C1	ZINC000252501471	524223984	/nfs/dbraw/zinc/22/39/84/524223984.db2.gz	UFLYPNPEYOMWQA-GFCCVEGCSA-N	2	0	240.395	1.198	50	30		BDEARP
N#CCC[NH2+]CCCCCC[NH2+]CCC#N	ZINC000003885454	342738858	/nfs/dbraw/zinc/73/88/58/342738858.db2.gz	ABYBSKYSXDSVJG-UHFFFAOYSA-N	2	0	222.336	1.553	50	30		BDEARP
CC(C)C[C@H](CNC(=[NH2+])NC(C)C)[NH+](C)C	ZINC000069569133	388420431	/nfs/dbraw/zinc/42/04/31/388420431.db2.gz	XYDWQBUCAVKRGE-LLVKDONJSA-N	2	0	228.384	1.275	50	30		BDEARP
CNC(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)=[NH+]C	ZINC000097199651	173211494	/nfs/dbraw/zinc/21/14/94/173211494.db2.gz	CUNDGJYDZTXEEW-LLVKDONJSA-N	2	0	240.395	1.292	50	30		BDEARP
C[C@@H]1CCC[N@H+](CCCNC(=[NH2+])NC2CC2)C1	ZINC000225528524	176097144	/nfs/dbraw/zinc/09/71/44/176097144.db2.gz	PFELNKPOEPKHJH-LLVKDONJSA-N	2	0	238.379	1.175	50	30		BDEARP
C[C@H]1CCCC[N@@H+]1CC[NH+]=C(N(C)C)N(C)C	ZINC000069537147	177074501	/nfs/dbraw/zinc/07/45/01/177074501.db2.gz	IGYYZUINYBQZKS-LBPRGKRZSA-N	2	0	240.395	1.340	50	30		BDEARP
CCC(CC)[C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C	ZINC000072272429	343127084	/nfs/dbraw/zinc/12/70/84/343127084.db2.gz	WRPOPOWEKOGKOT-LLVKDONJSA-N	2	0	228.384	1.229	50	30		BDEARP
CCNC(=[NH2+])NCc1ccc(C[NH+](C)C)cc1	ZINC000075583733	359335217	/nfs/dbraw/zinc/33/52/17/359335217.db2.gz	AOJVFKAOKUYMPM-UHFFFAOYSA-N	2	0	234.347	1.172	50	30		BDEARP
C[C@@H](CC#N)[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000068613221	387879010	/nfs/dbraw/zinc/87/90/10/387879010.db2.gz	JHOJATFEKHYMDE-LBPRGKRZSA-N	2	0	223.364	1.952	50	30		BDEARP
Cc1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1C	ZINC000252569098	524911504	/nfs/dbraw/zinc/91/15/04/524911504.db2.gz	VZDWZULCOQVYCU-UHFFFAOYSA-N	2	0	248.374	1.982	50	30		BDEARP
C=CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1	ZINC000057263129	187360351	/nfs/dbraw/zinc/36/03/51/187360351.db2.gz	RVGSFNMJVLVHPS-UHFFFAOYSA-N	2	0	234.343	1.951	50	30		BDEARP
CNC(NCCC[N@@H+]1CCCC[C@@H]1C)=[NH+]C	ZINC000075581897	359333911	/nfs/dbraw/zinc/33/39/11/359333911.db2.gz	DOVDUFBQADKAHM-NSHDSACASA-N	2	0	226.368	1.046	50	30		BDEARP
CC[NH+]1CCN(C=Nc2nc(C)cs2)CC1	ZINC000008619777	372810520	/nfs/dbraw/zinc/81/05/20/372810520.db2.gz	GCJKLLKTXJDCLZ-UHFFFAOYSA-N	2	0	238.360	1.749	50	30		BDEARP
C#CC[NH+]1CCC(C[NH+](CC)CC)CC1	ZINC000051908089	386697715	/nfs/dbraw/zinc/69/77/15/386697715.db2.gz	IZONMQYFRZIWIR-UHFFFAOYSA-N	2	0	208.349	1.673	50	30		BDEARP
CCNC(NCCC[NH+]1CCCC1)=[NH+]CC	ZINC000195529745	170042529	/nfs/dbraw/zinc/04/25/29/170042529.db2.gz	ZRBVWRFXSHBLIR-UHFFFAOYSA-N	2	0	226.368	1.047	50	30		BDEARP
CCC#CC[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1	ZINC000534675425	323159853	/nfs/dbraw/zinc/15/98/53/323159853.db2.gz	HRJJXGUDOCMZSU-UHFFFAOYSA-N	2	0	249.402	1.160	50	30		BDEARP
Cc1c(Cl)cccc1NC(=[NH2+])NC(N)=[NH2+]	ZINC000013153427	346933555	/nfs/dbraw/zinc/93/35/55/346933555.db2.gz	ADAYMJIUZHEBPP-UHFFFAOYSA-N	2	0	225.683	1.078	50	30		BDEARP
CNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000255960467	135130783	/nfs/dbraw/zinc/13/07/83/135130783.db2.gz	AOLBSFQWBAPKCQ-RYUDHWBXSA-N	2	0	240.395	1.279	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+](CC)CC	ZINC000058185110	398072003	/nfs/dbraw/zinc/07/20/03/398072003.db2.gz	BFEQEGODLFGMMD-MNOVXSKESA-N	2	0	228.384	1.420	50	30		BDEARP
C[C@@H]1C[N@H+](C)[C@H](C)C/C1=N/CCC[NH+](C)C	ZINC000013773705	176279324	/nfs/dbraw/zinc/27/93/24/176279324.db2.gz	WXBSYPBNTYUKFU-RHVHMXCLSA-N	2	0	225.380	1.739	50	30		BDEARP
Cc1cccc(NC(=[NH2+])NC(=[NH2+])N(C)C)c1	ZINC000034132434	711951154	/nfs/dbraw/zinc/95/11/54/711951154.db2.gz	CIKCTSGUHDQDSI-UHFFFAOYSA-N	2	0	219.292	1.218	50	30		BDEARP
C=C(C)C[N@H+](C)CC1CC[NH+](CCO)CC1	ZINC000069952069	188137429	/nfs/dbraw/zinc/13/74/29/188137429.db2.gz	SVEKFOMPRSSCFJ-UHFFFAOYSA-N	2	0	226.364	1.199	50	30		BDEARP
CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1	ZINC000075127919	356869633	/nfs/dbraw/zinc/86/96/33/356869633.db2.gz	PGPBNQZRIZQSOH-GFCCVEGCSA-N	2	0	240.395	1.375	50	30		BDEARP
CNC(NCCC[N@H+](C)C1CCCCC1)=[NH+]C	ZINC000069418696	388415195	/nfs/dbraw/zinc/41/51/95/388415195.db2.gz	IWZHTROBZCZSHD-UHFFFAOYSA-N	2	0	240.395	1.436	50	30		BDEARP
CC1CC[NH+](CC[NH+]=C(N(C)C)N(C)C)CC1	ZINC000104168074	168181123	/nfs/dbraw/zinc/18/11/23/168181123.db2.gz	PSXRGFAHZFQSEA-UHFFFAOYSA-N	2	0	240.395	1.198	50	30		BDEARP
CC[NH+](CC)CCCNC1=[NH+]C[C@H](C)S1	ZINC000019229907	342944246	/nfs/dbraw/zinc/94/42/46/342944246.db2.gz	QECAZVTWXORPSZ-JTQLQIEISA-N	2	0	229.393	1.799	50	30		BDEARP
[NH3+]CC#CC[N@@H+]1CCc2ccccc2C1	ZINC000075172911	181345985	/nfs/dbraw/zinc/34/59/85/181345985.db2.gz	CFYUUPMQILIHDQ-UHFFFAOYSA-N	2	0	200.285	1.007	50	30		BDEARP
[NH2+]=C(NCC[NH+]1CCCCC1)NCC1CCC1	ZINC000075583735	359335154	/nfs/dbraw/zinc/33/51/54/359335154.db2.gz	IDGXSJYFSJSNGQ-UHFFFAOYSA-N	2	0	238.379	1.177	50	30		BDEARP
C[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCC(C)CC1	ZINC000225528979	168185698	/nfs/dbraw/zinc/18/56/98/168185698.db2.gz	QUCRAOXNKBXUDU-LLVKDONJSA-N	2	0	238.379	1.174	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC	ZINC000058185109	171245855	/nfs/dbraw/zinc/24/58/55/171245855.db2.gz	BFEQEGODLFGMMD-WDEREUQCSA-N	2	0	228.384	1.420	50	30		BDEARP
CCC(CC)[C@H](CNC(=[NH2+])N(C)C)[NH+](C)C	ZINC000072272430	343127141	/nfs/dbraw/zinc/12/71/41/343127141.db2.gz	WRPOPOWEKOGKOT-NSHDSACASA-N	2	0	228.384	1.229	50	30		BDEARP
C=CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000069897173	166321106	/nfs/dbraw/zinc/32/11/06/166321106.db2.gz	ZBVGSKNCZXQWTK-LBPRGKRZSA-N	2	0	226.364	1.197	50	30		BDEARP
CNC(NCCC[NH+]1CCCCCC1)=[NH+]C	ZINC000225528036	173210542	/nfs/dbraw/zinc/21/05/42/173210542.db2.gz	LBRQEEDSXQTGGZ-UHFFFAOYSA-N	2	0	226.368	1.047	50	30		BDEARP
C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N(C)C	ZINC000170908195	526245072	/nfs/dbraw/zinc/24/50/72/526245072.db2.gz	DQJYTSFJYLSVHP-NSHDSACASA-N	2	0	226.368	1.127	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C	ZINC000069703277	388425027	/nfs/dbraw/zinc/42/50/27/388425027.db2.gz	JMEQWRBUZDSZMA-NEPJUHHUSA-N	2	0	240.395	1.564	50	30		BDEARP
CCNC(NC[C@H](C)C[NH+]1CCCC1)=[NH+]CC	ZINC000066245596	388656538	/nfs/dbraw/zinc/65/65/38/388656538.db2.gz	VIDICUVPXAYYCN-LBPRGKRZSA-N	2	0	240.395	1.293	50	30		BDEARP
C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1	ZINC000203304433	173110175	/nfs/dbraw/zinc/11/01/75/173110175.db2.gz	QANVLWSAWQEYBR-NSHDSACASA-N	2	0	232.331	1.365	50	30		BDEARP
CC(C)(CNC(=[NH2+])NC1CC1)[NH+]1CCCCC1	ZINC000065503463	361581712	/nfs/dbraw/zinc/58/17/12/361581712.db2.gz	ANGVLIIUBFMTHS-UHFFFAOYSA-N	2	0	238.379	1.318	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+](CC)CC	ZINC000058185112	171245867	/nfs/dbraw/zinc/24/58/67/171245867.db2.gz	BFEQEGODLFGMMD-QWRGUYRKSA-N	2	0	228.384	1.420	50	30		BDEARP
CC(C)[N@H+](C)CC(=O)NC[C@H]1[NH2+]CCC[C@H]1C	ZINC000328600343	519607011	/nfs/dbraw/zinc/60/70/11/519607011.db2.gz	XDAQQGOVBJFQJH-VXGBXAGGSA-N	2	0	241.379	1.671	50	30		BDEARP
NC(=[NH2+])NC(=[NH2+])Nc1cc(Cl)cc(Cl)c1	ZINC000004370978	181188093	/nfs/dbraw/zinc/18/80/93/181188093.db2.gz	BUXACHZAYWAZJL-UHFFFAOYSA-N	2	0	246.101	1.423	50	30	in-vivo	BDEARP
C[C@@H]1CCCC[N@@H+]1CC[NH+]=C(N(C)C)N(C)C	ZINC000069537144	176070737	/nfs/dbraw/zinc/07/07/37/176070737.db2.gz	IGYYZUINYBQZKS-GFCCVEGCSA-N	2	0	240.395	1.340	50	30		BDEARP
C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCC[C@H](C)C1	ZINC000253416440	524308947	/nfs/dbraw/zinc/30/89/47/524308947.db2.gz	BZBRWOUNGHKXGU-QWRGUYRKSA-N	2	0	238.379	1.174	50	30		BDEARP
C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000253416434	526196745	/nfs/dbraw/zinc/19/67/45/526196745.db2.gz	BZBRWOUNGHKXGU-GHMZBOCLSA-N	2	0	238.379	1.174	50	30		BDEARP
[NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1	ZINC000328596322	527355049	/nfs/dbraw/zinc/35/50/49/527355049.db2.gz	GNNNIVKIUSQDHS-TUAOUCFPSA-N	2	0	239.363	1.603	50	30		BDEARP
CNC(NCCC[N@H+](C)Cc1ccccc1)=[NH+]C	ZINC000058064534	411314599	/nfs/dbraw/zinc/31/45/99/411314599.db2.gz	MNNFAWBYKVUZGZ-UHFFFAOYSA-N	2	0	248.374	1.303	50	30		BDEARP
CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1	ZINC000052020014	188299589	/nfs/dbraw/zinc/29/95/89/188299589.db2.gz	RLETXEIOHJLZFB-UHFFFAOYSA-N	2	0	226.368	1.175	50	30		BDEARP
NC(=[NH2+])NC(=[NH2+])Nc1ccc(C(F)(F)F)cc1	ZINC000019795287	181188117	/nfs/dbraw/zinc/18/81/17/181188117.db2.gz	YBEYVQONJZSGFJ-UHFFFAOYSA-N	2	0	245.208	1.135	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1	ZINC000065503137	361581850	/nfs/dbraw/zinc/58/18/50/361581850.db2.gz	XLIXXLVPUWOSNX-GHMZBOCLSA-N	2	0	226.368	1.031	50	30		BDEARP
CCNC(NC[C@@H](C)C[NH+]1CCCC1)=[NH+]CC	ZINC000066245595	388656533	/nfs/dbraw/zinc/65/65/33/388656533.db2.gz	VIDICUVPXAYYCN-GFCCVEGCSA-N	2	0	240.395	1.293	50	30		BDEARP
C[C@H]1CCC[N@H+](CCCNC(=[NH2+])NC2CC2)C1	ZINC000225528555	177097958	/nfs/dbraw/zinc/09/79/58/177097958.db2.gz	PFELNKPOEPKHJH-NSHDSACASA-N	2	0	238.379	1.175	50	30		BDEARP
C[C@H]1C[N@H+](C)[C@@H](C)C/C1=N/CCC[NH+](C)C	ZINC000016051278	177238487	/nfs/dbraw/zinc/23/84/87/177238487.db2.gz	WXBSYPBNTYUKFU-DAGZIOLESA-N	2	0	225.380	1.739	50	30		BDEARP
C[C@H](CC#N)[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000068613225	387880027	/nfs/dbraw/zinc/88/00/27/387880027.db2.gz	JHOJATFEKHYMDE-GFCCVEGCSA-N	2	0	223.364	1.952	50	30		BDEARP
CC(C)[N@H+](C)CC(=O)NC[C@@H]1[NH2+]CCC[C@H]1C	ZINC000328600342	519607041	/nfs/dbraw/zinc/60/70/41/519607041.db2.gz	XDAQQGOVBJFQJH-NEPJUHHUSA-N	2	0	241.379	1.671	50	30		BDEARP
C[NH+](C)Cc1ccc(CNC(=[NH2+])NC2CC2)cc1	ZINC000170610526	361802058	/nfs/dbraw/zinc/80/20/58/361802058.db2.gz	KWZVCNGAOZEJTI-UHFFFAOYSA-N	2	0	246.358	1.315	50	30		BDEARP
C[C@@H]1C/C(=N/CCC[NH+](C)C)[C@@H](C)C[N@@H+]1C	ZINC000016051279	177238510	/nfs/dbraw/zinc/23/85/10/177238510.db2.gz	WXBSYPBNTYUKFU-HBAOTYDUSA-N	2	0	225.380	1.739	50	30		BDEARP
CC(C)C[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1	ZINC000170910301	519328683	/nfs/dbraw/zinc/32/86/83/519328683.db2.gz	QEQJXBRYNPJILT-GFCCVEGCSA-N	2	0	240.395	1.373	50	30		BDEARP
NC(=[NH2+])NC(=[NH2+])Nc1ccccc1C(F)(F)F	ZINC000018179618	181187835	/nfs/dbraw/zinc/18/78/35/181187835.db2.gz	WWGJSAKTVIHBMA-UHFFFAOYSA-N	2	0	245.208	1.135	50	30		BDEARP
C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCCCCC1	ZINC000097015385	172393975	/nfs/dbraw/zinc/39/39/75/172393975.db2.gz	HMHNPQCXTFIYAJ-UHFFFAOYSA-N	2	0	240.395	1.517	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1	ZINC000065503130	361582145	/nfs/dbraw/zinc/58/21/45/361582145.db2.gz	XLIXXLVPUWOSNX-QWRGUYRKSA-N	2	0	226.368	1.031	50	30		BDEARP
C=C(C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000051957801	386577436	/nfs/dbraw/zinc/57/74/36/386577436.db2.gz	DZYCPJWVVQAMRB-UHFFFAOYSA-N	2	0	238.375	1.607	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NCCCC[N@H+](C)C(C)C	ZINC000058304770	171246501	/nfs/dbraw/zinc/24/65/01/171246501.db2.gz	ORVTZDPUDBAMDY-LBPRGKRZSA-N	2	0	242.411	1.810	50	30		BDEARP
CNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000252478507	523671045	/nfs/dbraw/zinc/67/10/45/523671045.db2.gz	AOLBSFQWBAPKCQ-TXEJJXNPSA-N	2	0	240.395	1.279	50	30		BDEARP
CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000252478508	523672515	/nfs/dbraw/zinc/67/25/15/523672515.db2.gz	AOLBSFQWBAPKCQ-VXGBXAGGSA-N	2	0	240.395	1.279	50	30		BDEARP
C=C(C)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000084789309	188270769	/nfs/dbraw/zinc/27/07/69/188270769.db2.gz	RPAGJRVOJHHOIR-AWEZNQCLSA-N	2	0	237.391	1.274	50	30		BDEARP
C[N+](C)(C)CC#CCCCC#CC[N+](C)(C)C	ZINC000001803543	177487470	/nfs/dbraw/zinc/48/74/70/177487470.db2.gz	MNVGOZKWIWMDBV-UHFFFAOYSA-N	2	0	236.403	1.576	50	30		BDEARP
CCNC(NCC[N@H+](C)C1CCCC1)=[NH+]CC	ZINC000195530034	487792773	/nfs/dbraw/zinc/79/27/73/487792773.db2.gz	ZVYRAJRKNHOVAS-UHFFFAOYSA-N	2	0	240.395	1.436	50	30		BDEARP
C[N@H+](CCNC(=[NH2+])NC1CC1)C1CCCCC1	ZINC000225529280	522592593	/nfs/dbraw/zinc/59/25/93/522592593.db2.gz	BBFBTAURNXNNMZ-UHFFFAOYSA-N	2	0	238.379	1.318	50	30		BDEARP
N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1	ZINC000044512022	343504862	/nfs/dbraw/zinc/50/48/62/343504862.db2.gz	WHVQYIFEAAKALY-UHFFFAOYSA-N	2	0	229.327	1.729	50	30		BDEARP
C(#CC[NH+]1CCCC1)CCC[NH+]1CCCC1	ZINC000001689780	166225680	/nfs/dbraw/zinc/22/56/80/166225680.db2.gz	RMIZJARWWRAPCN-UHFFFAOYSA-N	2	0	220.360	1.962	50	30		BDEARP
C[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCC(C)CC1	ZINC000225529004	168185751	/nfs/dbraw/zinc/18/57/51/168185751.db2.gz	QUCRAOXNKBXUDU-NSHDSACASA-N	2	0	238.379	1.174	50	30		BDEARP
CCNC(NC[C@@H](C)[NH+](CC)CC)=[NH+]CC	ZINC000241470643	521731403	/nfs/dbraw/zinc/73/14/03/521731403.db2.gz	NWUXZBRRYZNDBA-LLVKDONJSA-N	2	0	228.384	1.292	50	30		BDEARP
C=C(C)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000069658984	191005241	/nfs/dbraw/zinc/00/52/41/191005241.db2.gz	CGGFKBLPGZGGAD-CYBMUJFWSA-N	2	0	240.391	1.587	50	30		BDEARP
C#CC[NH+]1CCC(OCCC[NH+](C)C)CC1	ZINC000079014244	371172979	/nfs/dbraw/zinc/17/29/79/371172979.db2.gz	FQXNSJIWTNRNNJ-UHFFFAOYSA-N	2	0	224.348	1.052	50	30		BDEARP
CCNC(NCC[NH+]1CCCCC1)=[NH+]CC	ZINC000195529788	388478460	/nfs/dbraw/zinc/47/84/60/388478460.db2.gz	QTAGIFHQXAAREI-UHFFFAOYSA-N	2	0	226.368	1.047	50	30		BDEARP
CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C	ZINC000252537813	523673034	/nfs/dbraw/zinc/67/30/34/523673034.db2.gz	MKOTYTPBAHFELC-LLVKDONJSA-N	2	0	226.368	1.175	50	30		BDEARP
CNC(NCCC[NH+]1Cc2ccccc2C1)=[NH+]C	ZINC000072270968	343117594	/nfs/dbraw/zinc/11/75/94/343117594.db2.gz	RCMZXUPPHZPGSJ-UHFFFAOYSA-N	2	0	246.358	1.187	50	30		BDEARP
C=CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000069897175	166320375	/nfs/dbraw/zinc/32/03/75/166320375.db2.gz	ZBVGSKNCZXQWTK-GFCCVEGCSA-N	2	0	226.364	1.197	50	30		BDEARP
CNC(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)=[NH+]C	ZINC000097199652	173210550	/nfs/dbraw/zinc/21/05/50/173210550.db2.gz	CUNDGJYDZTXEEW-NSHDSACASA-N	2	0	240.395	1.292	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C	ZINC000241132854	521899143	/nfs/dbraw/zinc/89/91/43/521899143.db2.gz	JMEQWRBUZDSZMA-VXGBXAGGSA-N	2	0	240.395	1.564	50	30		BDEARP
CC[NH+](CC)CCCNC1=[NH+]C[C@@H](C)S1	ZINC000019229905	342944065	/nfs/dbraw/zinc/94/40/65/342944065.db2.gz	QECAZVTWXORPSZ-SNVBAGLBSA-N	2	0	229.393	1.799	50	30		BDEARP
CCNC(NC[C@H](C)[NH+](CC)CC)=[NH+]CC	ZINC000241470644	521731590	/nfs/dbraw/zinc/73/15/90/521731590.db2.gz	NWUXZBRRYZNDBA-NSHDSACASA-N	2	0	228.384	1.292	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C	ZINC000241132853	523821406	/nfs/dbraw/zinc/82/14/06/523821406.db2.gz	JMEQWRBUZDSZMA-NWDGAFQWSA-N	2	0	240.395	1.564	50	30		BDEARP
CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1	ZINC000065503140	361582043	/nfs/dbraw/zinc/58/20/43/361582043.db2.gz	XLIXXLVPUWOSNX-WDEREUQCSA-N	2	0	226.368	1.031	50	30		BDEARP
CC(C)C[C@@H](CNC(=[NH2+])NC(C)C)[NH+](C)C	ZINC000069569132	388420832	/nfs/dbraw/zinc/42/08/32/388420832.db2.gz	XYDWQBUCAVKRGE-NSHDSACASA-N	2	0	228.384	1.275	50	30		BDEARP
CC(C)C[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1	ZINC000170910300	519774387	/nfs/dbraw/zinc/77/43/87/519774387.db2.gz	QEQJXBRYNPJILT-LBPRGKRZSA-N	2	0	240.395	1.373	50	30		BDEARP
C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N(C)C	ZINC000170908193	524096214	/nfs/dbraw/zinc/09/62/14/524096214.db2.gz	DQJYTSFJYLSVHP-LLVKDONJSA-N	2	0	226.368	1.127	50	30		BDEARP
C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCC[C@@H](C)C1	ZINC000253416435	524308576	/nfs/dbraw/zinc/30/85/76/524308576.db2.gz	BZBRWOUNGHKXGU-MNOVXSKESA-N	2	0	238.379	1.174	50	30		BDEARP
CN(C)C(=[NH+]CCC[NH+]1CCCCC1)N(C)C	ZINC000170908581	172353119	/nfs/dbraw/zinc/35/31/19/172353119.db2.gz	BZMKPJMKQHTLRR-UHFFFAOYSA-N	2	0	240.395	1.342	50	30		BDEARP
C[C@H]1CCC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C1	ZINC000252501472	524088349	/nfs/dbraw/zinc/08/83/49/524088349.db2.gz	UFLYPNPEYOMWQA-LBPRGKRZSA-N	2	0	240.395	1.198	50	30		BDEARP
CNC(NCCC[N@@H+]1CCCC[C@H]1C)=[NH+]C	ZINC000075581896	345857422	/nfs/dbraw/zinc/85/74/22/345857422.db2.gz	DOVDUFBQADKAHM-LLVKDONJSA-N	2	0	226.368	1.046	50	30		BDEARP
N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1	ZINC000044527871	181103876	/nfs/dbraw/zinc/10/38/76/181103876.db2.gz	UGQRVJNTWRSBII-CQSZACIVSA-N	2	0	229.327	1.729	50	30		BDEARP
CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C	ZINC000225528596	388835327	/nfs/dbraw/zinc/83/53/27/388835327.db2.gz	MKOTYTPBAHFELC-NSHDSACASA-N	2	0	226.368	1.175	50	30		BDEARP
CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1	ZINC000065503125	361582140	/nfs/dbraw/zinc/58/21/40/361582140.db2.gz	XLIXXLVPUWOSNX-MNOVXSKESA-N	2	0	226.368	1.031	50	30		BDEARP
CC[NH+](CC)CC(S)C[NH+](CC)CC	ZINC000002272432	368287944	/nfs/dbraw/zinc/28/79/44/368287944.db2.gz	ZIVGQPYDNKWLCZ-UHFFFAOYSA-N	2	0	218.410	1.968	50	30		BDEARP