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@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161499225	349466138	/nfs/dbraw/zinc/46/61/38/349466138.db2.gz	CPYYENXTFBCARY-IXMYILBSSA-N	1	3	225.336	0.465	20	70		BCIDHO
C[N@H+](CCO)CCCN1CCCCC1	ZINC000160521871	384418929	/nfs/dbraw/zinc/41/89/29/384418929.db2.gz	VVXBIBHNCZVPJE-UHFFFAOYSA-N	1	3	200.326	0.787	20	70		BCIDHO
C[N@@H+](CCO)CCCN1CCCCC1	ZINC000160521871	384418932	/nfs/dbraw/zinc/41/89/32/384418932.db2.gz	VVXBIBHNCZVPJE-UHFFFAOYSA-N	1	3	200.326	0.787	20	70		BCIDHO
C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCCC1	ZINC000161069360	343204085	/nfs/dbraw/zinc/20/40/85/343204085.db2.gz	QQJRGWGLMJIHPD-ZJUUUORDSA-N	1	3	213.325	0.195	20	70		BCIDHO
C[C@@H](CNC(=O)CCC[NH3+])N1CCCC1	ZINC000161015041	323143131	/nfs/dbraw/zinc/14/31/31/323143131.db2.gz	DBXWVWOOLABQAJ-JTQLQIEISA-N	1	3	213.325	0.326	20	70		BCIDHO
CC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000161038873	323144087	/nfs/dbraw/zinc/14/40/87/323144087.db2.gz	QEJXTPSDNYSXAC-VHSXEESVSA-N	1	3	213.325	0.324	20	70		BCIDHO
CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C	ZINC000161210235	487484943	/nfs/dbraw/zinc/48/49/43/487484943.db2.gz	DXLBAGXHOGIBNY-SRVKXCTJSA-N	1	3	241.379	0.959	20	70		BCIDHO
C[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2	ZINC000218756548	592176642	/nfs/dbraw/zinc/17/66/42/592176642.db2.gz	CMTMPYQEWZTHRL-NSHDSACASA-N	1	3	239.363	0.668	20	70		BCIDHO
CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1	ZINC000161160048	168321175	/nfs/dbraw/zinc/32/11/75/168321175.db2.gz	DWZAFBVNKLQKCM-GHMZBOCLSA-N	1	3	241.379	0.960	20	70		BCIDHO
C[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCCC1	ZINC000160935623	343203847	/nfs/dbraw/zinc/20/38/47/343203847.db2.gz	BMBQDPKRCHULJQ-ZJUUUORDSA-N	1	3	213.325	0.182	20	70		BCIDHO
CC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000161038610	346473633	/nfs/dbraw/zinc/47/36/33/346473633.db2.gz	QEJXTPSDNYSXAC-NXEZZACHSA-N	1	3	213.325	0.324	20	70		BCIDHO
CC(C)[C@@H](C(=O)NCC(C)(C)[NH3+])N(C)C	ZINC000160003273	167341876	/nfs/dbraw/zinc/34/18/76/167341876.db2.gz	MHGSJIWOVMDIDA-VIFPVBQESA-N	1	3	215.341	0.426	20	70		BCIDHO
[NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2)C1	ZINC000160963758	488182791	/nfs/dbraw/zinc/18/27/91/488182791.db2.gz	ODTYGLIAGVGRCG-OUAUKWLOSA-N	1	3	225.336	0.515	20	70		BCIDHO
CCOCCC[N@@H+]1CC[C@@H](NCCO)[C@H](C)C1	ZINC000159689627	323043835	/nfs/dbraw/zinc/04/38/35/323043835.db2.gz	RMLLKKOUADGKON-CHWSQXEVSA-N	1	3	244.379	0.705	20	70		BCIDHO
CCOCCC[N@H+]1CC[C@@H](NCCO)[C@H](C)C1	ZINC000159689627	323043836	/nfs/dbraw/zinc/04/38/36/323043836.db2.gz	RMLLKKOUADGKON-CHWSQXEVSA-N	1	3	244.379	0.705	20	70		BCIDHO
CCC([NH3+])(CC)CNC(=O)[C@@]1(F)CCNC1	ZINC000160559829	349214765	/nfs/dbraw/zinc/21/47/65/349214765.db2.gz	MGAYXONGOYXVMO-LLVKDONJSA-N	1	3	231.315	0.322	20	70		BCIDHO
CCC([NH3+])(CC)CNC(=O)[C@H]1CCCCN1	ZINC000160419108	387089100	/nfs/dbraw/zinc/08/91/00/387089100.db2.gz	GRYMBTLQJAILID-SNVBAGLBSA-N	1	3	227.352	0.762	20	70		BCIDHO
C[C@@]1(C(=O)NCCCC[NH3+])CCCCN1	ZINC000159592335	398124731	/nfs/dbraw/zinc/12/47/31/398124731.db2.gz	IHJJMSVXLXTLAZ-NSHDSACASA-N	1	3	213.325	0.374	20	70		BCIDHO
C[NH2+]CCC(=O)NC[C@H](C)N1CCCC1	ZINC000161068523	323145761	/nfs/dbraw/zinc/14/57/61/323145761.db2.gz	ICNRMDGMVKVHOZ-JTQLQIEISA-N	1	3	213.325	0.196	20	70		BCIDHO
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C	ZINC000161209987	487491109	/nfs/dbraw/zinc/49/11/09/487491109.db2.gz	DXLBAGXHOGIBNY-TUAOUCFPSA-N	1	3	241.379	0.959	20	70		BCIDHO
CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000161159937	168322033	/nfs/dbraw/zinc/32/20/33/168322033.db2.gz	DWZAFBVNKLQKCM-PHIMTYICSA-N	1	3	241.379	0.960	20	70		BCIDHO
CC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000161038733	323144072	/nfs/dbraw/zinc/14/40/72/323144072.db2.gz	QEJXTPSDNYSXAC-UWVGGRQHSA-N	1	3	213.325	0.324	20	70		BCIDHO
[NH3+][C@H]1CCC[C@H](NC(=O)CNC2CC2)C1	ZINC000160757270	488159564	/nfs/dbraw/zinc/15/95/64/488159564.db2.gz	CAYCJPYMDYMWNE-WPRPVWTQSA-N	1	3	211.309	0.125	20	70		BCIDHO
CCC([NH3+])(CC)CNC(=O)[C@]1(F)CCNC1	ZINC000160559705	133508692	/nfs/dbraw/zinc/50/86/92/133508692.db2.gz	MGAYXONGOYXVMO-NSHDSACASA-N	1	3	231.315	0.322	20	70		BCIDHO
NC1(C(=O)NCC[NH2+]C2CCCCCC2)CC1	ZINC000159622791	345449960	/nfs/dbraw/zinc/44/99/60/345449960.db2.gz	IMHLSLMGGJGJNP-UHFFFAOYSA-N	1	3	239.363	0.906	20	70		BCIDHO
C[NH2+]CCC(=O)NC[C@@H](C)N1CCCC1	ZINC000161068613	323145669	/nfs/dbraw/zinc/14/56/69/323145669.db2.gz	ICNRMDGMVKVHOZ-SNVBAGLBSA-N	1	3	213.325	0.196	20	70		BCIDHO
CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN	ZINC000217743543	134249582	/nfs/dbraw/zinc/24/95/82/134249582.db2.gz	JLSNINDNEPTXLR-VWYCJHECSA-N	1	3	200.326	0.864	20	70		BCIDHO
CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1CN	ZINC000218765185	134260172	/nfs/dbraw/zinc/26/01/72/134260172.db2.gz	BABLUMCRSHSHSG-VWYCJHECSA-N	1	3	200.326	0.864	20	70		BCIDHO
C[C@H](CNC(=O)CCC[NH3+])N1CCCC1	ZINC000161015184	323143136	/nfs/dbraw/zinc/14/31/36/323143136.db2.gz	DBXWVWOOLABQAJ-SNVBAGLBSA-N	1	3	213.325	0.326	20	70		BCIDHO
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C	ZINC000161210112	487484142	/nfs/dbraw/zinc/48/41/42/487484142.db2.gz	DXLBAGXHOGIBNY-QJPTWQEYSA-N	1	3	241.379	0.959	20	70		BCIDHO
C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCCC1	ZINC000161069226	343203932	/nfs/dbraw/zinc/20/39/32/343203932.db2.gz	QQJRGWGLMJIHPD-UWVGGRQHSA-N	1	3	213.325	0.195	20	70		BCIDHO
C[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CCCC1	ZINC000160935392	343203999	/nfs/dbraw/zinc/20/39/99/343203999.db2.gz	BMBQDPKRCHULJQ-NXEZZACHSA-N	1	3	213.325	0.182	20	70		BCIDHO
CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN	ZINC000217743362	134249651	/nfs/dbraw/zinc/24/96/51/134249651.db2.gz	JLSNINDNEPTXLR-OUAUKWLOSA-N	1	3	200.326	0.864	20	70		BCIDHO
C[C@@H]([NH3+])CC(=O)NC[C@@H](C)N1CCCC1	ZINC000161044039	487473760	/nfs/dbraw/zinc/47/37/60/487473760.db2.gz	BBEMHXGUNRXHDE-NXEZZACHSA-N	1	3	213.325	0.324	20	70		BCIDHO
[NH3+][C@H]1CCC[C@@H](NC(=O)CNC2CC2)C1	ZINC000160756996	488160105	/nfs/dbraw/zinc/16/01/05/488160105.db2.gz	CAYCJPYMDYMWNE-WCBMZHEXSA-N	1	3	211.309	0.125	20	70		BCIDHO
C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217807059	134250456	/nfs/dbraw/zinc/25/04/56/134250456.db2.gz	SZPAPAYGOCOIHD-BBBLOLIVSA-N	1	3	211.309	0.077	20	70		BCIDHO
C[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807059	134250457	/nfs/dbraw/zinc/25/04/57/134250457.db2.gz	SZPAPAYGOCOIHD-BBBLOLIVSA-N	1	3	211.309	0.077	20	70		BCIDHO
CCCN1CCC[C@H]1C(=O)NCCC[NH3+]	ZINC000160000864	169198508	/nfs/dbraw/zinc/19/85/08/169198508.db2.gz	NUOIBSHILOUMOA-JTQLQIEISA-N	1	3	213.325	0.326	20	70		BCIDHO
OCCC[N@H+](CCO)CCCN1CCCCC1	ZINC000161044190	384926111	/nfs/dbraw/zinc/92/61/11/384926111.db2.gz	FUUMGVOVPWKRLC-UHFFFAOYSA-N	1	3	244.379	0.539	20	70		BCIDHO
OCCC[N@@H+](CCO)CCCN1CCCCC1	ZINC000161044190	384926114	/nfs/dbraw/zinc/92/61/14/384926114.db2.gz	FUUMGVOVPWKRLC-UHFFFAOYSA-N	1	3	244.379	0.539	20	70		BCIDHO
C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217807325	134250388	/nfs/dbraw/zinc/25/03/88/134250388.db2.gz	SZPAPAYGOCOIHD-GUBZILKMSA-N	1	3	211.309	0.077	20	70		BCIDHO
C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807325	134250389	/nfs/dbraw/zinc/25/03/89/134250389.db2.gz	SZPAPAYGOCOIHD-GUBZILKMSA-N	1	3	211.309	0.077	20	70		BCIDHO
CC[C@H](C(=O)NCC1CC[NH+](C)CC1)N(C)C	ZINC000159908469	323053278	/nfs/dbraw/zinc/05/32/78/323053278.db2.gz	QAOQGFUCFQBXCR-GFCCVEGCSA-N	1	3	241.379	0.785	20	70		BCIDHO
C[C@]1(C(=O)NCCCC[NH3+])CCCCN1	ZINC000159592183	361259686	/nfs/dbraw/zinc/25/96/86/361259686.db2.gz	IHJJMSVXLXTLAZ-LLVKDONJSA-N	1	3	213.325	0.374	20	70		BCIDHO
CCCN1CCC[C@@H]1C(=O)NCCC[NH3+]	ZINC000160000721	169195811	/nfs/dbraw/zinc/19/58/11/169195811.db2.gz	NUOIBSHILOUMOA-SNVBAGLBSA-N	1	3	213.325	0.326	20	70		BCIDHO
C[C@@H](C(=O)NCCC[NH3+])N1CCCCCC1	ZINC000160038957	387042104	/nfs/dbraw/zinc/04/21/04/387042104.db2.gz	TUDCHCFSHYACDO-NSHDSACASA-N	1	3	227.352	0.716	20	70		BCIDHO
O[C@H]1CC[N@H+](CCCN2CCCCC2)C1	ZINC000160917239	388101409	/nfs/dbraw/zinc/10/14/09/388101409.db2.gz	ITEFNJCVSXUXFV-LBPRGKRZSA-N	1	3	212.337	0.929	20	70		BCIDHO
O[C@H]1CC[N@@H+](CCCN2CCCCC2)C1	ZINC000160917239	388101411	/nfs/dbraw/zinc/10/14/11/388101411.db2.gz	ITEFNJCVSXUXFV-LBPRGKRZSA-N	1	3	212.337	0.929	20	70		BCIDHO
C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1	ZINC000218744664	412086849	/nfs/dbraw/zinc/08/68/49/412086849.db2.gz	QWRCMRKVGOUVKE-QMMMGPOBSA-N	1	3	211.309	0.077	20	70		BCIDHO
CC[C@@H](C(=O)NCC1CC[NH+](C)CC1)N(C)C	ZINC000159908345	323053296	/nfs/dbraw/zinc/05/32/96/323053296.db2.gz	QAOQGFUCFQBXCR-LBPRGKRZSA-N	1	3	241.379	0.785	20	70		BCIDHO
[NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2)C1	ZINC000160963643	488182769	/nfs/dbraw/zinc/18/27/69/488182769.db2.gz	ODTYGLIAGVGRCG-GMTAPVOTSA-N	1	3	225.336	0.515	20	70		BCIDHO
C[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217807231	134250709	/nfs/dbraw/zinc/25/07/09/134250709.db2.gz	SZPAPAYGOCOIHD-UTLUCORTSA-N	1	3	211.309	0.077	20	70		BCIDHO
C[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807231	134250710	/nfs/dbraw/zinc/25/07/10/134250710.db2.gz	SZPAPAYGOCOIHD-UTLUCORTSA-N	1	3	211.309	0.077	20	70		BCIDHO
C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1	ZINC000160543582	384418974	/nfs/dbraw/zinc/41/89/74/384418974.db2.gz	ZIVSPINIJFUOTN-WDEREUQCSA-N	1	3	227.352	0.393	20	70		BCIDHO
[NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2)C1	ZINC000160963544	487780919	/nfs/dbraw/zinc/78/09/19/487780919.db2.gz	ODTYGLIAGVGRCG-GARJFASQSA-N	1	3	225.336	0.515	20	70		BCIDHO
CCC(CC)(C[NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1	ZINC000161160149	168320993	/nfs/dbraw/zinc/32/09/93/168320993.db2.gz	DWZAFBVNKLQKCM-QWRGUYRKSA-N	1	3	241.379	0.960	20	70		BCIDHO
CC(C)N(C)CC(=O)NCC(C)(C)[NH3+]	ZINC000159939221	345696902	/nfs/dbraw/zinc/69/69/02/345696902.db2.gz	LMZFHBSISVOTLP-UHFFFAOYSA-N	1	3	201.314	0.180	20	70		BCIDHO
CC(C)[C@H](C(=O)NCC(C)(C)[NH3+])N(C)C	ZINC000159974916	345763520	/nfs/dbraw/zinc/76/35/20/345763520.db2.gz	MHGSJIWOVMDIDA-SECBINFHSA-N	1	3	215.341	0.426	20	70		BCIDHO
CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH3+]	ZINC000160143142	188220271	/nfs/dbraw/zinc/22/02/71/188220271.db2.gz	AWXKBNJUTPEDEM-SNVBAGLBSA-N	1	3	213.325	0.276	20	70		BCIDHO
CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CN	ZINC000217712550	134250655	/nfs/dbraw/zinc/25/06/55/134250655.db2.gz	JSJHVWVLQDSCIE-GMTAPVOTSA-N	1	3	200.326	0.864	20	70		BCIDHO
[NH3+][C@@H]1CCC[C@H](NC(=O)CNC2CC2)C1	ZINC000160757394	488159977	/nfs/dbraw/zinc/15/99/77/488159977.db2.gz	CAYCJPYMDYMWNE-SCZZXKLOSA-N	1	3	211.309	0.125	20	70		BCIDHO
CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CN	ZINC000218765114	535977767	/nfs/dbraw/zinc/97/77/67/535977767.db2.gz	BABLUMCRSHSHSG-OUAUKWLOSA-N	1	3	200.326	0.864	20	70		BCIDHO
CC[NH2+]CCNC(=O)C1CCN(C)CC1	ZINC000218647776	363131369	/nfs/dbraw/zinc/13/13/69/363131369.db2.gz	CWJMZUTWCGWJQG-UHFFFAOYSA-N	1	3	213.325	0.054	20	70		BCIDHO
C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCCC1	ZINC000161057386	488110652	/nfs/dbraw/zinc/11/06/52/488110652.db2.gz	WMRPKJJLDZFISI-TUAOUCFPSA-N	1	3	239.363	0.714	20	70		BCIDHO
CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C	ZINC000161210346	487484686	/nfs/dbraw/zinc/48/46/86/487484686.db2.gz	DXLBAGXHOGIBNY-SDDRHHMPSA-N	1	3	241.379	0.959	20	70		BCIDHO
C[C@H](CNC(=O)[C@@H](C)C[NH3+])N1CCCC1	ZINC000160935282	343204156	/nfs/dbraw/zinc/20/41/56/343204156.db2.gz	BMBQDPKRCHULJQ-VHSXEESVSA-N	1	3	213.325	0.182	20	70		BCIDHO
O[C@@H]1CC[N@H+](CCCN2CCCCC2)C1	ZINC000160917883	388101163	/nfs/dbraw/zinc/10/11/63/388101163.db2.gz	ITEFNJCVSXUXFV-GFCCVEGCSA-N	1	3	212.337	0.929	20	70		BCIDHO
O[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1	ZINC000160917883	388101165	/nfs/dbraw/zinc/10/11/65/388101165.db2.gz	ITEFNJCVSXUXFV-GFCCVEGCSA-N	1	3	212.337	0.929	20	70		BCIDHO
[NH3+][C@@H]1CCC[C@@H](NC(=O)CNC2CC2)C1	ZINC000160757137	488160035	/nfs/dbraw/zinc/16/00/35/488160035.db2.gz	CAYCJPYMDYMWNE-PSASIEDQSA-N	1	3	211.309	0.125	20	70		BCIDHO
[NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2)C1	ZINC000160963432	488183042	/nfs/dbraw/zinc/18/30/42/488183042.db2.gz	ODTYGLIAGVGRCG-HBNTYKKESA-N	1	3	225.336	0.515	20	70		BCIDHO
COCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000217904461	536893872	/nfs/dbraw/zinc/89/38/72/536893872.db2.gz	GXBHJFXQMYMVDO-GARJFASQSA-N	1	3	200.326	0.951	20	70		BCIDHO
COCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000217904461	536893876	/nfs/dbraw/zinc/89/38/76/536893876.db2.gz	GXBHJFXQMYMVDO-GARJFASQSA-N	1	3	200.326	0.951	20	70		BCIDHO
CC(C)[C@@H](C(=O)N1CCC[NH2+]CC1)N(C)C	ZINC000160824358	167343175	/nfs/dbraw/zinc/34/31/75/167343175.db2.gz	VBOPRJOTXSNNDY-NSHDSACASA-N	1	3	227.352	0.395	20	70		BCIDHO
CCOCCC[N@H+]1CC[C@H](NCCO)[C@H](C)C1	ZINC000159689491	323043831	/nfs/dbraw/zinc/04/38/31/323043831.db2.gz	RMLLKKOUADGKON-OLZOCXBDSA-N	1	3	244.379	0.705	20	70		BCIDHO
CC(C)[C@H](C(=O)NCCC[NH3+])N(C)C	ZINC000160042692	188220679	/nfs/dbraw/zinc/22/06/79/188220679.db2.gz	YUIKOUCFLKTVJI-SECBINFHSA-N	1	3	201.314	0.038	20	70		BCIDHO
C[C@H](C(=O)NCCC[NH3+])N1CCCCCC1	ZINC000160039064	387040542	/nfs/dbraw/zinc/04/05/42/387040542.db2.gz	TUDCHCFSHYACDO-LLVKDONJSA-N	1	3	227.352	0.716	20	70		BCIDHO
CCOCCC[N@@H+]1CC[C@H](NCCO)[C@H](C)C1	ZINC000159689491	323043830	/nfs/dbraw/zinc/04/38/30/323043830.db2.gz	RMLLKKOUADGKON-OLZOCXBDSA-N	1	3	244.379	0.705	20	70		BCIDHO
C[C@@H]([NH3+])CC(=O)NC[C@H](C)N1CCCC1	ZINC000161044300	487473750	/nfs/dbraw/zinc/47/37/50/487473750.db2.gz	BBEMHXGUNRXHDE-ZJUUUORDSA-N	1	3	213.325	0.324	20	70		BCIDHO
C[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CCCC1	ZINC000160935510	343204094	/nfs/dbraw/zinc/20/40/94/343204094.db2.gz	BMBQDPKRCHULJQ-UWVGGRQHSA-N	1	3	213.325	0.182	20	70		BCIDHO
C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1	ZINC000160543665	388073408	/nfs/dbraw/zinc/07/34/08/388073408.db2.gz	ZIVSPINIJFUOTN-GHMZBOCLSA-N	1	3	227.352	0.393	20	70		BCIDHO
C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217807141	134250669	/nfs/dbraw/zinc/25/06/69/134250669.db2.gz	SZPAPAYGOCOIHD-AEJSXWLSSA-N	1	3	211.309	0.077	20	70		BCIDHO
C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807141	134250670	/nfs/dbraw/zinc/25/06/70/134250670.db2.gz	SZPAPAYGOCOIHD-AEJSXWLSSA-N	1	3	211.309	0.077	20	70		BCIDHO
CC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000161038504	323144161	/nfs/dbraw/zinc/14/41/61/323144161.db2.gz	QEJXTPSDNYSXAC-ZJUUUORDSA-N	1	3	213.325	0.324	20	70		BCIDHO
CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CN	ZINC000217712715	536098485	/nfs/dbraw/zinc/09/84/85/536098485.db2.gz	JSJHVWVLQDSCIE-MXWKQRLJSA-N	1	3	200.326	0.864	20	70		BCIDHO
COCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000217904314	536894437	/nfs/dbraw/zinc/89/44/37/536894437.db2.gz	GXBHJFXQMYMVDO-HBNTYKKESA-N	1	3	200.326	0.951	20	70		BCIDHO
COCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000217904314	536894438	/nfs/dbraw/zinc/89/44/38/536894438.db2.gz	GXBHJFXQMYMVDO-HBNTYKKESA-N	1	3	200.326	0.951	20	70		BCIDHO