smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1	ZINC000160588165	311356179	/nfs/dbraw/zinc/35/61/79/311356179.db2.gz	GTYSTMLIKDRLNZ-XLIONFOSSA-N	3	2	331.504	2.339	10	70		EEIELP
CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1	ZINC000160588165	311356180	/nfs/dbraw/zinc/35/61/80/311356180.db2.gz	GTYSTMLIKDRLNZ-XLIONFOSSA-N	3	2	331.504	2.339	10	70		EEIELP
C[NH+](C)Cc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1	ZINC000161459562	463432525	/nfs/dbraw/zinc/43/25/25/463432525.db2.gz	BSEWJIPQFIYOSW-UHFFFAOYSA-N	2	2	335.411	2.259	10	70		EEIELP
Cc1nc2ccccn2c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000160237154	463323700	/nfs/dbraw/zinc/32/37/00/463323700.db2.gz	AMUKJRCTLHLKDP-SFHVURJKSA-N	2	2	341.503	2.245	10	70		EEIELP
Cc1nc2ccccn2c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000160237154	463323706	/nfs/dbraw/zinc/32/37/06/463323706.db2.gz	AMUKJRCTLHLKDP-SFHVURJKSA-N	2	2	341.503	2.245	10	70		EEIELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485908	311341874	/nfs/dbraw/zinc/34/18/74/311341874.db2.gz	BOIXCAJUIQZTHA-HKUYNNGSSA-N	3	2	345.535	2.043	10	70		EEIELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485908	311341877	/nfs/dbraw/zinc/34/18/77/311341877.db2.gz	BOIXCAJUIQZTHA-HKUYNNGSSA-N	3	2	345.535	2.043	10	70		EEIELP
C[C@H](NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1	ZINC000161400940	539526690	/nfs/dbraw/zinc/52/66/90/539526690.db2.gz	AIHUNGXQXVAGLF-HNNXBMFYSA-N	2	2	342.418	2.220	10	70		EEIELP
C[N@H+](CCN1CCC[C@@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1	ZINC000159833602	463306574	/nfs/dbraw/zinc/30/65/74/463306574.db2.gz	FBTRVWXTIDGNJL-LJQANCHMSA-N	2	2	335.467	2.054	10	70		EEIELP
C[N@@H+](CCN1CCC[C@@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1	ZINC000159833602	463306579	/nfs/dbraw/zinc/30/65/79/463306579.db2.gz	FBTRVWXTIDGNJL-LJQANCHMSA-N	2	2	335.467	2.054	10	70		EEIELP
Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cs1	ZINC000160197426	143807967	/nfs/dbraw/zinc/80/79/67/143807967.db2.gz	LJWJDDCBFQKLBH-IYBDPMFKSA-N	2	2	348.516	2.016	10	70		EEIELP
Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1	ZINC000160904234	463380503	/nfs/dbraw/zinc/38/05/03/463380503.db2.gz	XXNGZMJEOFHJER-AWEZNQCLSA-N	2	2	329.404	2.141	10	70		EEIELP
Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1	ZINC000160904234	463380511	/nfs/dbraw/zinc/38/05/11/463380511.db2.gz	XXNGZMJEOFHJER-AWEZNQCLSA-N	2	2	329.404	2.141	10	70		EEIELP
C[N@H+](CCC[NH+]1CCCCC1)C1CC[NH+](CCn2cccn2)CC1	ZINC000160954988	463384908	/nfs/dbraw/zinc/38/49/08/463384908.db2.gz	JOJKERNBMYSUEF-UHFFFAOYSA-N	3	2	333.524	2.155	10	70		EEIELP
C[N@@H+](CCC[NH+]1CCCCC1)C1CC[NH+](CCn2cccn2)CC1	ZINC000160954988	463384913	/nfs/dbraw/zinc/38/49/13/463384913.db2.gz	JOJKERNBMYSUEF-UHFFFAOYSA-N	3	2	333.524	2.155	10	70		EEIELP
CC[N@@H+]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1	ZINC000159582154	539517004	/nfs/dbraw/zinc/51/70/04/539517004.db2.gz	GRJSQMHHEGPRIL-UHFFFAOYSA-N	2	2	335.839	2.225	10	70		EEIELP
CC[N@H+]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1	ZINC000159582154	539517007	/nfs/dbraw/zinc/51/70/07/539517007.db2.gz	GRJSQMHHEGPRIL-UHFFFAOYSA-N	2	2	335.839	2.225	10	70		EEIELP
C(C[NH+]1CCCCC1)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000160962205	463386197	/nfs/dbraw/zinc/38/61/97/463386197.db2.gz	ICORLLPJNUQCKV-UHFFFAOYSA-N	2	2	347.507	2.331	10	70		EEIELP
C(C[NH+]1CCCCC1)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000160962205	463386201	/nfs/dbraw/zinc/38/62/01/463386201.db2.gz	ICORLLPJNUQCKV-UHFFFAOYSA-N	2	2	347.507	2.331	10	70		EEIELP
COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cc(C)no3)CC2)c1C	ZINC000160958598	463386145	/nfs/dbraw/zinc/38/61/45/463386145.db2.gz	JENXORPMGPIBGW-UHFFFAOYSA-N	2	2	330.432	2.321	10	70		EEIELP
CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1	ZINC000160588301	311355897	/nfs/dbraw/zinc/35/58/97/311355897.db2.gz	GTYSTMLIKDRLNZ-YLJYHZDGSA-N	3	2	331.504	2.339	10	70		EEIELP
CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1	ZINC000160588301	311355898	/nfs/dbraw/zinc/35/58/98/311355898.db2.gz	GTYSTMLIKDRLNZ-YLJYHZDGSA-N	3	2	331.504	2.339	10	70		EEIELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485764	311342109	/nfs/dbraw/zinc/34/21/09/311342109.db2.gz	BOIXCAJUIQZTHA-PKOBYXMFSA-N	3	2	345.535	2.043	10	70		EEIELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485764	311342110	/nfs/dbraw/zinc/34/21/10/311342110.db2.gz	BOIXCAJUIQZTHA-PKOBYXMFSA-N	3	2	345.535	2.043	10	70		EEIELP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1	ZINC000161234268	463412472	/nfs/dbraw/zinc/41/24/72/463412472.db2.gz	ZRPANIJXFFVSMD-MDZRGWNJSA-N	2	2	329.488	2.278	10	70		EEIELP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1	ZINC000161234268	463412476	/nfs/dbraw/zinc/41/24/76/463412476.db2.gz	ZRPANIJXFFVSMD-MDZRGWNJSA-N	2	2	329.488	2.278	10	70		EEIELP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1	ZINC000161234268	463412481	/nfs/dbraw/zinc/41/24/81/463412481.db2.gz	ZRPANIJXFFVSMD-MDZRGWNJSA-N	2	2	329.488	2.278	10	70		EEIELP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1	ZINC000161234268	463412488	/nfs/dbraw/zinc/41/24/88/463412488.db2.gz	ZRPANIJXFFVSMD-MDZRGWNJSA-N	2	2	329.488	2.278	10	70		EEIELP
C[N@H+](Cc1cnc2ccccn12)C1CC[NH+](CCn2cccn2)CC1	ZINC000159994512	463314201	/nfs/dbraw/zinc/31/42/01/463314201.db2.gz	GWLHSJGOIXXQBF-UHFFFAOYSA-N	2	2	338.459	2.127	10	70		EEIELP
C[N@@H+](Cc1cnc2ccccn12)C1CC[NH+](CCn2cccn2)CC1	ZINC000159994512	463314207	/nfs/dbraw/zinc/31/42/07/463314207.db2.gz	GWLHSJGOIXXQBF-UHFFFAOYSA-N	2	2	338.459	2.127	10	70		EEIELP
CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000160530242	463346423	/nfs/dbraw/zinc/34/64/23/463346423.db2.gz	DTPXIEKQRYYGSD-INIZCTEOSA-N	2	2	339.524	2.114	10	70		EEIELP
CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000160530242	463346430	/nfs/dbraw/zinc/34/64/30/463346430.db2.gz	DTPXIEKQRYYGSD-INIZCTEOSA-N	2	2	339.524	2.114	10	70		EEIELP
CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000160291777	463326757	/nfs/dbraw/zinc/32/67/57/463326757.db2.gz	MZBMVVWAEQPMST-OAGGEKHMSA-N	2	2	326.481	2.149	10	70		EEIELP
CC(=O)NC1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1	ZINC000161022817	463391880	/nfs/dbraw/zinc/39/18/80/463391880.db2.gz	LRSYONPIYIPURC-UHFFFAOYSA-N	2	2	326.444	2.468	10	70		EEIELP
C[N@H+](CCN1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1	ZINC000161154750	463405335	/nfs/dbraw/zinc/40/53/35/463405335.db2.gz	GNHLUHFZQMTTLQ-UHFFFAOYSA-N	2	2	342.462	2.470	10	70		EEIELP
C[N@@H+](CCN1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1	ZINC000161154750	463405338	/nfs/dbraw/zinc/40/53/38/463405338.db2.gz	GNHLUHFZQMTTLQ-UHFFFAOYSA-N	2	2	342.462	2.470	10	70		EEIELP
CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000160291538	463327250	/nfs/dbraw/zinc/32/72/50/463327250.db2.gz	MZBMVVWAEQPMST-XHSDSOJGSA-N	2	2	326.481	2.149	10	70		EEIELP
CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000160291538	463327254	/nfs/dbraw/zinc/32/72/54/463327254.db2.gz	MZBMVVWAEQPMST-XHSDSOJGSA-N	2	2	326.481	2.149	10	70		EEIELP
CN(C)c1[nH+]cccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000160295672	311352585	/nfs/dbraw/zinc/35/25/85/311352585.db2.gz	IANKXNXQFLQBGS-UHFFFAOYSA-N	2	2	347.507	2.411	10	70		EEIELP
C[C@@H](NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1	ZINC000161401072	539528189	/nfs/dbraw/zinc/52/81/89/539528189.db2.gz	AIHUNGXQXVAGLF-OAHLLOKOSA-N	2	2	342.418	2.220	10	70		EEIELP
CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161302212	539526240	/nfs/dbraw/zinc/52/62/40/539526240.db2.gz	GLUFGYJNQDBXOQ-UHFFFAOYSA-N	2	2	338.455	2.252	10	70		EEIELP
Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1	ZINC000160904137	463380829	/nfs/dbraw/zinc/38/08/29/463380829.db2.gz	XXNGZMJEOFHJER-CQSZACIVSA-N	2	2	329.404	2.141	10	70		EEIELP
Cc1cc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1	ZINC000160904137	463380830	/nfs/dbraw/zinc/38/08/30/463380830.db2.gz	XXNGZMJEOFHJER-CQSZACIVSA-N	2	2	329.404	2.141	10	70		EEIELP
CCC[C@H](C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C	ZINC000160028381	527982296	/nfs/dbraw/zinc/98/22/96/527982296.db2.gz	UHHYNWHOTIAWIG-RTBURBONSA-N	2	2	347.503	2.215	10	70		EEIELP
CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000160530367	463347121	/nfs/dbraw/zinc/34/71/21/463347121.db2.gz	DTPXIEKQRYYGSD-MRXNPFEDSA-N	2	2	339.524	2.114	10	70		EEIELP
CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000160530367	463347125	/nfs/dbraw/zinc/34/71/25/463347125.db2.gz	DTPXIEKQRYYGSD-MRXNPFEDSA-N	2	2	339.524	2.114	10	70		EEIELP
CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(O)CCOCC1	ZINC000160038749	528349560	/nfs/dbraw/zinc/34/95/60/528349560.db2.gz	GQAORVRCHIAHDU-UHFFFAOYSA-N	2	2	333.476	2.161	10	70		EEIELP
CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(O)CCOCC1	ZINC000160038749	528349562	/nfs/dbraw/zinc/34/95/62/528349562.db2.gz	GQAORVRCHIAHDU-UHFFFAOYSA-N	2	2	333.476	2.161	10	70		EEIELP
Cc1nc2ccccn2c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000160237285	463324077	/nfs/dbraw/zinc/32/40/77/463324077.db2.gz	AMUKJRCTLHLKDP-GOSISDBHSA-N	2	2	341.503	2.245	10	70		EEIELP
Cc1nc2ccccn2c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000160237285	463324080	/nfs/dbraw/zinc/32/40/80/463324080.db2.gz	AMUKJRCTLHLKDP-GOSISDBHSA-N	2	2	341.503	2.245	10	70		EEIELP
CCC[C@@H](C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C	ZINC000160028027	463316093	/nfs/dbraw/zinc/31/60/93/463316093.db2.gz	UHHYNWHOTIAWIG-OALUTQOASA-N	2	2	347.503	2.215	10	70		EEIELP
CCC[C@@H](C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C	ZINC000160028244	276268958	/nfs/dbraw/zinc/26/89/58/276268958.db2.gz	UHHYNWHOTIAWIG-RBUKOAKNSA-N	2	2	347.503	2.215	10	70		EEIELP
CCC[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC1	ZINC000159460581	539515993	/nfs/dbraw/zinc/51/59/93/539515993.db2.gz	VELUWIAQRPKDTD-UHFFFAOYSA-N	3	2	345.535	2.188	10	70		EEIELP
C[N@H+](CCN1CC[NH+](Cc2cccnc2)CC1)Cc1ccc(F)cc1	ZINC000161164354	463405138	/nfs/dbraw/zinc/40/51/38/463405138.db2.gz	YAKBHLZVIGNJIY-UHFFFAOYSA-N	2	2	342.462	2.470	10	70		EEIELP
C[N@@H+](CCN1CC[NH+](Cc2cccnc2)CC1)Cc1ccc(F)cc1	ZINC000161164354	463405146	/nfs/dbraw/zinc/40/51/46/463405146.db2.gz	YAKBHLZVIGNJIY-UHFFFAOYSA-N	2	2	342.462	2.470	10	70		EEIELP
CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000160291415	463327150	/nfs/dbraw/zinc/32/71/50/463327150.db2.gz	MZBMVVWAEQPMST-OWCLPIDISA-N	2	2	326.481	2.149	10	70		EEIELP
CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000160291415	463327144	/nfs/dbraw/zinc/32/71/44/463327144.db2.gz	MZBMVVWAEQPMST-OWCLPIDISA-N	2	2	326.481	2.149	10	70		EEIELP
CCC[C@H](C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C	ZINC000160028130	463315443	/nfs/dbraw/zinc/31/54/43/463315443.db2.gz	UHHYNWHOTIAWIG-MOPGFXCFSA-N	2	2	347.503	2.215	10	70		EEIELP