smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H](NCC[NH+](C)C)C[N@@H+]1C1CC1	ZINC000160851915	361330877	/nfs/dbraw/zinc/33/08/77/361330877.db2.gz	DKVSOSBBUKYKRS-QWRGUYRKSA-N	2	1	211.353	0.763	20	70		BCIDMP
C[C@H]1C[C@H](NCC[NH+](C)C)C[N@H+]1C1CC1	ZINC000160851915	361330883	/nfs/dbraw/zinc/33/08/83/361330883.db2.gz	DKVSOSBBUKYKRS-QWRGUYRKSA-N	2	1	211.353	0.763	20	70		BCIDMP
C[NH+](C)[C@@H](C(=O)NCCC[NH3+])c1ccccc1	ZINC000160081426	397766212	/nfs/dbraw/zinc/76/62/12/397766212.db2.gz	HGTMAAFWNRKTBO-GFCCVEGCSA-N	2	1	235.331	0.754	20	70		BCIDMP
C[NH+](C)C1(C[NH2+]CCC(N)=O)CCCC1	ZINC000160900078	343204200	/nfs/dbraw/zinc/20/42/00/343204200.db2.gz	FCYUWPUASZMEMR-UHFFFAOYSA-N	2	1	213.325	0.326	20	70		BCIDMP
CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC000160930383	349345463	/nfs/dbraw/zinc/34/54/63/349345463.db2.gz	KYRHHKKILKPISR-VXGBXAGGSA-N	2	1	241.379	0.831	20	70		BCIDMP
CC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC000160930383	349345467	/nfs/dbraw/zinc/34/54/67/349345467.db2.gz	KYRHHKKILKPISR-VXGBXAGGSA-N	2	1	241.379	0.831	20	70		BCIDMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]CCO)[C@H](C)C1	ZINC000159689627	323043833	/nfs/dbraw/zinc/04/38/33/323043833.db2.gz	RMLLKKOUADGKON-CHWSQXEVSA-N	2	1	244.379	0.705	20	70		BCIDMP
CCC(CC)[C@H](CNC(N)=[NH2+])[NH+]1CCOCC1	ZINC000161489255	349463794	/nfs/dbraw/zinc/46/37/94/349463794.db2.gz	YIDVHPWIVSHSBH-NSHDSACASA-N	2	1	242.367	0.606	20	70		BCIDMP
C[NH+](C)CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000160004657	323057427	/nfs/dbraw/zinc/05/74/27/323057427.db2.gz	YDWWKXICUDGJFB-SNVBAGLBSA-N	2	1	245.392	0.102	20	70		BCIDMP
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCn1ccnc1	ZINC000159807724	345552860	/nfs/dbraw/zinc/55/28/60/345552860.db2.gz	NRKBVLCGIJSWAA-MNOVXSKESA-N	2	1	236.319	0.469	20	70		BCIDMP
C[C@H]1C[C@@H](NCC[NH+](C)C)C[N@@H+]1C1CC1	ZINC000160852164	343134318	/nfs/dbraw/zinc/13/43/18/343134318.db2.gz	DKVSOSBBUKYKRS-WDEREUQCSA-N	2	1	211.353	0.763	20	70		BCIDMP
C[C@H]1C[C@@H](NCC[NH+](C)C)C[N@H+]1C1CC1	ZINC000160852164	343134320	/nfs/dbraw/zinc/13/43/20/343134320.db2.gz	DKVSOSBBUKYKRS-WDEREUQCSA-N	2	1	211.353	0.763	20	70		BCIDMP
O=C1CC[N@H+](CCC[NH+]2CCCCC2)CCN1	ZINC000160900961	349336907	/nfs/dbraw/zinc/33/69/07/349336907.db2.gz	JJWOJUZPDHSSJQ-UHFFFAOYSA-N	2	1	239.363	0.684	20	70		BCIDMP
O=C1CC[N@@H+](CCC[NH+]2CCCCC2)CCN1	ZINC000160900961	349336910	/nfs/dbraw/zinc/33/69/10/349336910.db2.gz	JJWOJUZPDHSSJQ-UHFFFAOYSA-N	2	1	239.363	0.684	20	70		BCIDMP
CC[N@H+](CCCO)CCn1cc[nH+]c1C	ZINC000160376440	388060050	/nfs/dbraw/zinc/06/00/50/388060050.db2.gz	ZZFKKZZGGFBROQ-UHFFFAOYSA-N	2	1	211.309	0.896	20	70		BCIDMP
CC[N@@H+](CCCO)CCn1cc[nH+]c1C	ZINC000160376440	388060054	/nfs/dbraw/zinc/06/00/54/388060054.db2.gz	ZZFKKZZGGFBROQ-UHFFFAOYSA-N	2	1	211.309	0.896	20	70		BCIDMP
C[NH+](C)[C@H](C(=O)NCCC[NH3+])c1ccccc1	ZINC000160081350	397766169	/nfs/dbraw/zinc/76/61/69/397766169.db2.gz	HGTMAAFWNRKTBO-LBPRGKRZSA-N	2	1	235.331	0.754	20	70		BCIDMP
CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C	ZINC000218769973	535835074	/nfs/dbraw/zinc/83/50/74/535835074.db2.gz	CLJNJFTYRZOXQU-HBNTYKKESA-N	2	1	202.342	0.933	20	70		BCIDMP
CC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC000160930286	349345353	/nfs/dbraw/zinc/34/53/53/349345353.db2.gz	KYRHHKKILKPISR-NEPJUHHUSA-N	2	1	241.379	0.831	20	70		BCIDMP
CC[N@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1	ZINC000160930286	349345357	/nfs/dbraw/zinc/34/53/57/349345357.db2.gz	KYRHHKKILKPISR-NEPJUHHUSA-N	2	1	241.379	0.831	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@@H+](C)CC[C@@H](C)O	ZINC000160390656	180250621	/nfs/dbraw/zinc/25/06/21/180250621.db2.gz	NIXUAKZSOGWGDY-SNVBAGLBSA-N	2	1	211.309	0.894	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@H+](C)CC[C@@H](C)O	ZINC000160390656	180250623	/nfs/dbraw/zinc/25/06/23/180250623.db2.gz	NIXUAKZSOGWGDY-SNVBAGLBSA-N	2	1	211.309	0.894	20	70		BCIDMP
C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807059	134250455	/nfs/dbraw/zinc/25/04/55/134250455.db2.gz	SZPAPAYGOCOIHD-BBBLOLIVSA-N	2	1	211.309	0.077	20	70		BCIDMP
C[C@@H]1C[C@H](NCC[NH+](C)C)C[N@@H+]1C1CC1	ZINC000160851781	361331721	/nfs/dbraw/zinc/33/17/21/361331721.db2.gz	DKVSOSBBUKYKRS-MNOVXSKESA-N	2	1	211.353	0.763	20	70		BCIDMP
C[C@@H]1C[C@H](NCC[NH+](C)C)C[N@H+]1C1CC1	ZINC000160851781	361331723	/nfs/dbraw/zinc/33/17/23/361331723.db2.gz	DKVSOSBBUKYKRS-MNOVXSKESA-N	2	1	211.353	0.763	20	70		BCIDMP
CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH3+]	ZINC000160000864	169198507	/nfs/dbraw/zinc/19/85/07/169198507.db2.gz	NUOIBSHILOUMOA-JTQLQIEISA-N	2	1	213.325	0.326	20	70		BCIDMP
COCC[N@H+](CCO)CCC[NH+]1CCCCC1	ZINC000160857037	384444211	/nfs/dbraw/zinc/44/42/11/384444211.db2.gz	QCOVHKOGAGLWMR-UHFFFAOYSA-N	2	1	244.379	0.803	20	70		BCIDMP
COCC[N@@H+](CCO)CCC[NH+]1CCCCC1	ZINC000160857037	384444213	/nfs/dbraw/zinc/44/42/13/384444213.db2.gz	QCOVHKOGAGLWMR-UHFFFAOYSA-N	2	1	244.379	0.803	20	70		BCIDMP
OCCC[N@H+](CCO)CCC[NH+]1CCCCC1	ZINC000161044190	384926100	/nfs/dbraw/zinc/92/61/00/384926100.db2.gz	FUUMGVOVPWKRLC-UHFFFAOYSA-N	2	1	244.379	0.539	20	70		BCIDMP
OCCC[N@@H+](CCO)CCC[NH+]1CCCCC1	ZINC000161044190	384926106	/nfs/dbraw/zinc/92/61/06/384926106.db2.gz	FUUMGVOVPWKRLC-UHFFFAOYSA-N	2	1	244.379	0.539	20	70		BCIDMP
O=C([C@H]1CSC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159870051	388035812	/nfs/dbraw/zinc/03/58/12/388035812.db2.gz	YPEWXILLWQKYAF-KXUCPTDWSA-N	2	1	241.360	0.002	20	70		BCIDMP
C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807325	134250387	/nfs/dbraw/zinc/25/03/87/134250387.db2.gz	SZPAPAYGOCOIHD-GUBZILKMSA-N	2	1	211.309	0.077	20	70		BCIDMP
C[NH+](C)CCNC(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000160004811	323057342	/nfs/dbraw/zinc/05/73/42/323057342.db2.gz	YDWWKXICUDGJFB-JTQLQIEISA-N	2	1	245.392	0.102	20	70		BCIDMP
COC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO	ZINC000160762053	323134633	/nfs/dbraw/zinc/13/46/33/323134633.db2.gz	XWAUDGMAQPQILP-QWHCGFSZSA-N	2	1	244.379	0.848	20	70		BCIDMP
CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH3+]	ZINC000160000721	169195810	/nfs/dbraw/zinc/19/58/10/169195810.db2.gz	NUOIBSHILOUMOA-SNVBAGLBSA-N	2	1	213.325	0.326	20	70		BCIDMP
O[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160917239	388101404	/nfs/dbraw/zinc/10/14/04/388101404.db2.gz	ITEFNJCVSXUXFV-LBPRGKRZSA-N	2	1	212.337	0.929	20	70		BCIDMP
O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160917239	388101407	/nfs/dbraw/zinc/10/14/07/388101407.db2.gz	ITEFNJCVSXUXFV-LBPRGKRZSA-N	2	1	212.337	0.929	20	70		BCIDMP
C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807231	134250708	/nfs/dbraw/zinc/25/07/08/134250708.db2.gz	SZPAPAYGOCOIHD-UTLUCORTSA-N	2	1	211.309	0.077	20	70		BCIDMP
CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH3+]	ZINC000159939221	345696900	/nfs/dbraw/zinc/69/69/00/345696900.db2.gz	LMZFHBSISVOTLP-UHFFFAOYSA-N	2	1	201.314	0.180	20	70		BCIDMP
CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH3+]	ZINC000160143142	188220270	/nfs/dbraw/zinc/22/02/70/188220270.db2.gz	AWXKBNJUTPEDEM-SNVBAGLBSA-N	2	1	213.325	0.276	20	70		BCIDMP
C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217553074	134248598	/nfs/dbraw/zinc/24/85/98/134248598.db2.gz	ASUIAWSLDXZPFP-UWVGGRQHSA-N	2	1	213.325	0.134	20	70		BCIDMP
C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217553074	134248599	/nfs/dbraw/zinc/24/85/99/134248599.db2.gz	ASUIAWSLDXZPFP-UWVGGRQHSA-N	2	1	213.325	0.134	20	70		BCIDMP
[NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000161196722	487484868	/nfs/dbraw/zinc/48/48/68/487484868.db2.gz	DYXBCIODODQUAN-HLTSFMKQSA-N	2	1	229.349	0.035	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@@H+](C)CC[C@H](C)O	ZINC000160390797	180252586	/nfs/dbraw/zinc/25/25/86/180252586.db2.gz	NIXUAKZSOGWGDY-JTQLQIEISA-N	2	1	211.309	0.894	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@H+](C)CC[C@H](C)O	ZINC000160390797	180252587	/nfs/dbraw/zinc/25/25/87/180252587.db2.gz	NIXUAKZSOGWGDY-JTQLQIEISA-N	2	1	211.309	0.894	20	70		BCIDMP
C[C@@H]1C[C@@H](NCC[NH+](C)C)C[N@@H+]1C1CC1	ZINC000160852041	361331024	/nfs/dbraw/zinc/33/10/24/361331024.db2.gz	DKVSOSBBUKYKRS-GHMZBOCLSA-N	2	1	211.353	0.763	20	70		BCIDMP
C[C@@H]1C[C@@H](NCC[NH+](C)C)C[N@H+]1C1CC1	ZINC000160852041	361331031	/nfs/dbraw/zinc/33/10/31/361331031.db2.gz	DKVSOSBBUKYKRS-GHMZBOCLSA-N	2	1	211.353	0.763	20	70		BCIDMP
COC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO	ZINC000160762179	323134654	/nfs/dbraw/zinc/13/46/54/323134654.db2.gz	XWAUDGMAQPQILP-CHWSQXEVSA-N	2	1	244.379	0.848	20	70		BCIDMP
CCC(CC)[C@@H](CNC(N)=[NH2+])[NH+]1CCOCC1	ZINC000161489121	349463584	/nfs/dbraw/zinc/46/35/84/349463584.db2.gz	YIDVHPWIVSHSBH-LLVKDONJSA-N	2	1	242.367	0.606	20	70		BCIDMP
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCn1ccnc1	ZINC000159807916	345552745	/nfs/dbraw/zinc/55/27/45/345552745.db2.gz	NRKBVLCGIJSWAA-GHMZBOCLSA-N	2	1	236.319	0.469	20	70		BCIDMP
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCn1ccnc1	ZINC000159807997	345552848	/nfs/dbraw/zinc/55/28/48/345552848.db2.gz	NRKBVLCGIJSWAA-WDEREUQCSA-N	2	1	236.319	0.469	20	70		BCIDMP
O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160917883	388101160	/nfs/dbraw/zinc/10/11/60/388101160.db2.gz	ITEFNJCVSXUXFV-GFCCVEGCSA-N	2	1	212.337	0.929	20	70		BCIDMP
O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160917883	388101162	/nfs/dbraw/zinc/10/11/62/388101162.db2.gz	ITEFNJCVSXUXFV-GFCCVEGCSA-N	2	1	212.337	0.929	20	70		BCIDMP
C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217552983	134248576	/nfs/dbraw/zinc/24/85/76/134248576.db2.gz	ASUIAWSLDXZPFP-ZJUUUORDSA-N	2	1	213.325	0.134	20	70		BCIDMP
C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217552983	134248577	/nfs/dbraw/zinc/24/85/77/134248577.db2.gz	ASUIAWSLDXZPFP-ZJUUUORDSA-N	2	1	213.325	0.134	20	70		BCIDMP
COCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000217904461	536893865	/nfs/dbraw/zinc/89/38/65/536893865.db2.gz	GXBHJFXQMYMVDO-GARJFASQSA-N	2	1	200.326	0.951	20	70		BCIDMP
CN(c1[nH+]cnc2[nH]ccc21)C1CC([NH3+])C1	ZINC000218563025	345744786	/nfs/dbraw/zinc/74/47/86/345744786.db2.gz	DSZFXAFWOBUIFN-UHFFFAOYSA-N	2	1	217.276	0.884	20	70		BCIDMP
C[N@H+](CC(=O)NCCC[NH3+])Cc1ccccc1	ZINC000160173257	388050527	/nfs/dbraw/zinc/05/05/27/388050527.db2.gz	AFKDKXZWCMEKRM-UHFFFAOYSA-N	2	1	235.331	0.583	20	70		BCIDMP
C[N@@H+](CC(=O)NCCC[NH3+])Cc1ccccc1	ZINC000160173257	388050529	/nfs/dbraw/zinc/05/05/29/388050529.db2.gz	AFKDKXZWCMEKRM-UHFFFAOYSA-N	2	1	235.331	0.583	20	70		BCIDMP
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCn1ccnc1	ZINC000159807816	345552806	/nfs/dbraw/zinc/55/28/06/345552806.db2.gz	NRKBVLCGIJSWAA-QWRGUYRKSA-N	2	1	236.319	0.469	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@@H+](C)C(C)(C)CO	ZINC000160387668	538884216	/nfs/dbraw/zinc/88/42/16/538884216.db2.gz	IYFIMZXTTFBBCP-UHFFFAOYSA-N	2	1	211.309	0.894	20	70		BCIDMP
Cc1[nH+]ccn1CC[N@H+](C)C(C)(C)CO	ZINC000160387668	538884217	/nfs/dbraw/zinc/88/42/17/538884217.db2.gz	IYFIMZXTTFBBCP-UHFFFAOYSA-N	2	1	211.309	0.894	20	70		BCIDMP
CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C	ZINC000218770111	134260019	/nfs/dbraw/zinc/26/00/19/134260019.db2.gz	CLJNJFTYRZOXQU-GARJFASQSA-N	2	1	202.342	0.933	20	70		BCIDMP
CCOCCC[N@H+]1CC[C@H]([NH2+]CCO)[C@H](C)C1	ZINC000159689491	323043828	/nfs/dbraw/zinc/04/38/28/323043828.db2.gz	RMLLKKOUADGKON-OLZOCXBDSA-N	2	1	244.379	0.705	20	70		BCIDMP
COCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000217183455	134229995	/nfs/dbraw/zinc/22/99/95/134229995.db2.gz	AIJDHQCDPHCIMZ-WDEREUQCSA-N	2	1	216.325	0.319	20	70		BCIDMP
C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217807141	134250668	/nfs/dbraw/zinc/25/06/68/134250668.db2.gz	SZPAPAYGOCOIHD-AEJSXWLSSA-N	2	1	211.309	0.077	20	70		BCIDMP
[NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000161196942	487489680	/nfs/dbraw/zinc/48/96/80/487489680.db2.gz	DYXBCIODODQUAN-VGMNWLOBSA-N	2	1	229.349	0.035	20	70		BCIDMP
COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000217904314	536894431	/nfs/dbraw/zinc/89/44/31/536894431.db2.gz	GXBHJFXQMYMVDO-HBNTYKKESA-N	2	1	200.326	0.951	20	70		BCIDMP