smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C	ZINC000159962017	197376962	/nfs/dbraw/zinc/37/69/62/197376962.db2.gz	XZDHJBROZIZIHM-MRXNPFEDSA-N	2	0	312.502	2.138	10	70		DEIERP
CCC[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+](C)C	ZINC000160394684	402343633	/nfs/dbraw/zinc/34/36/33/402343633.db2.gz	DBKHWMAFBDHDBP-HUUCEWRRSA-N	2	0	307.438	2.263	10	70		DEIERP
CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[NH+](C)C	ZINC000161300792	402381592	/nfs/dbraw/zinc/38/15/92/402381592.db2.gz	FOCYYFGDSZFRDJ-IAGOWNOFSA-N	2	0	321.465	2.144	10	70		DEIERP
CCOCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1CC	ZINC000161344920	402384261	/nfs/dbraw/zinc/38/42/61/402384261.db2.gz	QARQWKOCCCTBQZ-SFHVURJKSA-N	2	0	311.514	2.295	10	70		DEIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1	ZINC000161235100	402378999	/nfs/dbraw/zinc/37/89/99/402378999.db2.gz	RCDGLULTMGDLGJ-PBHICJAKSA-N	2	0	303.450	2.207	10	70		DEIERP
CCC[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)[NH+](C)C	ZINC000161350390	402384243	/nfs/dbraw/zinc/38/42/43/402384243.db2.gz	RUIOSWOJBQACJK-SFHVURJKSA-N	2	0	317.477	2.104	10	70		DEIERP
CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000159602041	279158398	/nfs/dbraw/zinc/15/83/98/279158398.db2.gz	NNRHROZNJLUEDT-HZPDHXFCSA-N	2	0	312.502	2.136	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[NH+](C)C	ZINC000161300451	402381534	/nfs/dbraw/zinc/38/15/34/402381534.db2.gz	FOCYYFGDSZFRDJ-IRXDYDNUSA-N	2	0	321.465	2.144	10	70		DEIERP
CCC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+](C)C	ZINC000161349039	402383879	/nfs/dbraw/zinc/38/38/79/402383879.db2.gz	FGDBZSXLBOWGQN-SFHVURJKSA-N	2	0	317.477	2.451	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000159663331	186133958	/nfs/dbraw/zinc/13/39/58/186133958.db2.gz	XMXJMBJSIQPQDR-IAGOWNOFSA-N	2	0	324.513	2.138	10	70		DEIERP
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000161225913	402378189	/nfs/dbraw/zinc/37/81/89/402378189.db2.gz	QJWAGIIDVMZPQF-KRWDZBQOSA-N	2	0	305.466	2.454	10	70		DEIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1	ZINC000161235217	402379125	/nfs/dbraw/zinc/37/91/25/402379125.db2.gz	RCDGLULTMGDLGJ-YOEHRIQHSA-N	2	0	303.450	2.207	10	70		DEIERP
CCC[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+](C)C	ZINC000161299450	283785627	/nfs/dbraw/zinc/78/56/27/283785627.db2.gz	LZDRZQGOIDPELF-CVEARBPZSA-N	2	0	309.429	2.275	10	70		DEIERP
CCC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+](C)C	ZINC000161349181	402383815	/nfs/dbraw/zinc/38/38/15/402383815.db2.gz	FGDBZSXLBOWGQN-GOSISDBHSA-N	2	0	317.477	2.451	10	70		DEIERP
CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1CCC([NH3+])CC1	ZINC000159880610	197370713	/nfs/dbraw/zinc/37/07/13/197370713.db2.gz	MAYMJOLNMHROBK-UNXYVOJBSA-N	2	0	309.376	2.035	10	70		DEIERP
CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1	ZINC000160795664	402360815	/nfs/dbraw/zinc/36/08/15/402360815.db2.gz	IJARGUWGAFYUAX-QGZVFWFLSA-N	2	0	324.513	2.234	10	70		DEIERP
CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1	ZINC000160795529	402360796	/nfs/dbraw/zinc/36/07/96/402360796.db2.gz	IJARGUWGAFYUAX-KRWDZBQOSA-N	2	0	324.513	2.234	10	70		DEIERP
CCn1cnnc1[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161444227	402387693	/nfs/dbraw/zinc/38/76/93/402387693.db2.gz	RSVIFDYLOGVTCK-MRXNPFEDSA-N	2	0	305.470	2.353	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C	ZINC000160224644	197393569	/nfs/dbraw/zinc/39/35/69/197393569.db2.gz	XZJWFTVZDBBDJU-ZACQAIPSSA-N	2	0	324.513	2.135	10	70		DEIERP
CCOCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1CC	ZINC000161344793	402383747	/nfs/dbraw/zinc/38/37/47/402383747.db2.gz	QARQWKOCCCTBQZ-GOSISDBHSA-N	2	0	311.514	2.295	10	70		DEIERP
CCC[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)[NH+](C)C	ZINC000161464180	402388704	/nfs/dbraw/zinc/38/87/04/402388704.db2.gz	JXSUUVKOIVQKLP-HNNXBMFYSA-N	2	0	304.438	2.028	10	70		DEIERP
CCC[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)[NH+](C)C	ZINC000161350508	402384112	/nfs/dbraw/zinc/38/41/12/402384112.db2.gz	RUIOSWOJBQACJK-GOSISDBHSA-N	2	0	317.477	2.104	10	70		DEIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1	ZINC000161390032	402385808	/nfs/dbraw/zinc/38/58/08/402385808.db2.gz	NZXZYPPQLIKIKQ-YOEHRIQHSA-N	2	0	303.450	2.207	10	70		DEIERP
CCC[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C	ZINC000159633184	186132178	/nfs/dbraw/zinc/13/21/78/186132178.db2.gz	NAHQOJQQCPNDMU-INIZCTEOSA-N	2	0	309.429	2.234	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1	ZINC000160004490	197379363	/nfs/dbraw/zinc/37/93/63/197379363.db2.gz	LGHRNULAFRGTNL-ZMSDIMECSA-N	2	0	322.497	2.031	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1	ZINC000160004216	197379441	/nfs/dbraw/zinc/37/94/41/197379441.db2.gz	LGHRNULAFRGTNL-YQQAZPJKSA-N	2	0	322.497	2.031	10	70		DEIERP
CCC[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C	ZINC000161504497	402389956	/nfs/dbraw/zinc/38/99/56/402389956.db2.gz	RQQJNZKQTCTGIW-GOSISDBHSA-N	2	0	317.477	2.281	10	70		DEIERP
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000161226043	402378168	/nfs/dbraw/zinc/37/81/68/402378168.db2.gz	QJWAGIIDVMZPQF-QGZVFWFLSA-N	2	0	305.466	2.454	10	70		DEIERP
CCC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+](C)C	ZINC000160394423	520980673	/nfs/dbraw/zinc/98/06/73/520980673.db2.gz	DBKHWMAFBDHDBP-CABCVRRESA-N	2	0	307.438	2.263	10	70		DEIERP
CCC[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C	ZINC000159633312	186132103	/nfs/dbraw/zinc/13/21/03/186132103.db2.gz	NAHQOJQQCPNDMU-MRXNPFEDSA-N	2	0	309.429	2.234	10	70		DEIERP
CCC[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)[NH+](C)C	ZINC000161464267	402388661	/nfs/dbraw/zinc/38/86/61/402388661.db2.gz	JXSUUVKOIVQKLP-OAHLLOKOSA-N	2	0	304.438	2.028	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000160224773	197394100	/nfs/dbraw/zinc/39/41/00/197394100.db2.gz	XZJWFTVZDBBDJU-BBWFWOEESA-N	2	0	324.513	2.135	10	70		DEIERP
CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1	ZINC000159767010	197362826	/nfs/dbraw/zinc/36/28/26/197362826.db2.gz	HTTRMDOMSPPXIM-DLBZAZTESA-N	2	0	324.513	2.138	10	70		DEIERP
CCC[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+](C)C	ZINC000161307927	402381903	/nfs/dbraw/zinc/38/19/03/402381903.db2.gz	NMCFLXBZYZZGSI-QGZVFWFLSA-N	2	0	305.466	2.355	10	70		DEIERP
CCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[NH+](C)C	ZINC000161299647	402381414	/nfs/dbraw/zinc/38/14/14/402381414.db2.gz	LZDRZQGOIDPELF-HZPDHXFCSA-N	2	0	309.429	2.275	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1	ZINC000160004346	197379391	/nfs/dbraw/zinc/37/93/91/197379391.db2.gz	LGHRNULAFRGTNL-BFYDXBDKSA-N	2	0	322.497	2.031	10	70		DEIERP
C(NC1=[NH+]CC2(CCCC2)CS1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000160246175	197394540	/nfs/dbraw/zinc/39/45/40/197394540.db2.gz	FDHOBRSYCDICEG-ZIAGYGMSSA-N	2	0	309.479	2.102	10	70		DEIERP
CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C	ZINC000161172463	520585221	/nfs/dbraw/zinc/58/52/21/520585221.db2.gz	KLOMVXMMFFUVRX-SFHVURJKSA-N	2	0	317.477	2.498	10	70		DEIERP
CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C1CCC([NH3+])CC1	ZINC000159880757	197371270	/nfs/dbraw/zinc/37/12/70/197371270.db2.gz	MAYMJOLNMHROBK-VOMCLLRMSA-N	2	0	309.376	2.035	10	70		DEIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1	ZINC000161330256	402382910	/nfs/dbraw/zinc/38/29/10/402382910.db2.gz	HFMBIBNBNUKQLW-NUJGCVRESA-N	2	0	321.509	2.486	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+](C)C	ZINC000160394559	520590504	/nfs/dbraw/zinc/59/05/04/520590504.db2.gz	DBKHWMAFBDHDBP-LSDHHAIUSA-N	2	0	307.438	2.263	10	70		DEIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1	ZINC000161389905	402385935	/nfs/dbraw/zinc/38/59/35/402385935.db2.gz	NZXZYPPQLIKIKQ-PBHICJAKSA-N	2	0	303.450	2.207	10	70		DEIERP
C[N@H+](CCN1CC[NH+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1	ZINC000160592883	402353040	/nfs/dbraw/zinc/35/30/40/402353040.db2.gz	NCIQWLBXZPSLRB-GOSISDBHSA-N	2	0	305.441	2.428	10	70		DEIERP
CCC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C	ZINC000161172570	402376290	/nfs/dbraw/zinc/37/62/90/402376290.db2.gz	KLOMVXMMFFUVRX-GOSISDBHSA-N	2	0	317.477	2.498	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[NH+](C)C	ZINC000161300658	402381510	/nfs/dbraw/zinc/38/15/10/402381510.db2.gz	FOCYYFGDSZFRDJ-DLBZAZTESA-N	2	0	321.465	2.144	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+](C)C	ZINC000161299392	402381520	/nfs/dbraw/zinc/38/15/20/402381520.db2.gz	LZDRZQGOIDPELF-HOTGVXAUSA-N	2	0	309.429	2.275	10	70		DEIERP
CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1	ZINC000159766882	197362981	/nfs/dbraw/zinc/36/29/81/197362981.db2.gz	HTTRMDOMSPPXIM-IAGOWNOFSA-N	2	0	324.513	2.138	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+](C)C	ZINC000160394303	402343668	/nfs/dbraw/zinc/34/36/68/402343668.db2.gz	DBKHWMAFBDHDBP-GJZGRUSLSA-N	2	0	307.438	2.263	10	70		DEIERP
CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[NH+](C)C	ZINC000161300538	402381436	/nfs/dbraw/zinc/38/14/36/402381436.db2.gz	FOCYYFGDSZFRDJ-SJORKVTESA-N	2	0	321.465	2.144	10	70		DEIERP
Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161348559	402384156	/nfs/dbraw/zinc/38/41/56/402384156.db2.gz	VSMIQJASPDBJPN-GOSISDBHSA-N	2	0	319.497	2.483	10	70		DEIERP
CCn1cnnc1[C@H]1CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161444358	402387739	/nfs/dbraw/zinc/38/77/39/402387739.db2.gz	RSVIFDYLOGVTCK-INIZCTEOSA-N	2	0	305.470	2.353	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1	ZINC000159772723	402330117	/nfs/dbraw/zinc/33/01/17/402330117.db2.gz	NHNYIVQKCHMYKQ-QGZVFWFLSA-N	2	0	324.513	2.138	10	70		DEIERP
C(NC1=[NH+]CC2(CCCC2)CS1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000160246295	197394936	/nfs/dbraw/zinc/39/49/36/197394936.db2.gz	FDHOBRSYCDICEG-KGLIPLIRSA-N	2	0	309.479	2.102	10	70		DEIERP
CCC[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[NH+](C)C	ZINC000161299547	402381357	/nfs/dbraw/zinc/38/13/57/402381357.db2.gz	LZDRZQGOIDPELF-JKSUJKDBSA-N	2	0	309.429	2.275	10	70		DEIERP
CCC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+](C)C	ZINC000161307787	402382269	/nfs/dbraw/zinc/38/22/69/402382269.db2.gz	NMCFLXBZYZZGSI-KRWDZBQOSA-N	2	0	305.466	2.355	10	70		DEIERP
Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161348682	402384100	/nfs/dbraw/zinc/38/41/00/402384100.db2.gz	VSMIQJASPDBJPN-SFHVURJKSA-N	2	0	319.497	2.483	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1	ZINC000160004089	197379317	/nfs/dbraw/zinc/37/93/17/197379317.db2.gz	LGHRNULAFRGTNL-HLLBOEOZSA-N	2	0	322.497	2.031	10	70		DEIERP
C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(c2cccnn2)C1	ZINC000160937489	402366516	/nfs/dbraw/zinc/36/65/16/402366516.db2.gz	YLXQTZNVWQSCSO-KRWDZBQOSA-N	2	0	317.481	2.253	10	70		DEIERP
CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000159601887	279144068	/nfs/dbraw/zinc/14/40/68/279144068.db2.gz	NNRHROZNJLUEDT-JKSUJKDBSA-N	2	0	312.502	2.136	10	70		DEIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000159663497	186134072	/nfs/dbraw/zinc/13/40/72/186134072.db2.gz	XMXJMBJSIQPQDR-DLBZAZTESA-N	2	0	324.513	2.138	10	70		DEIERP
C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000160937373	402366287	/nfs/dbraw/zinc/36/62/87/402366287.db2.gz	YLXQTZNVWQSCSO-QGZVFWFLSA-N	2	0	317.481	2.253	10	70		DEIERP
CN(c1cccnn1)C1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161444503	402387812	/nfs/dbraw/zinc/38/78/12/402387812.db2.gz	YVJDEBNVRCDOKW-UHFFFAOYSA-N	2	0	317.481	2.253	10	70		DEIERP
CCC[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C	ZINC000161504371	402389898	/nfs/dbraw/zinc/38/98/98/402389898.db2.gz	RQQJNZKQTCTGIW-SFHVURJKSA-N	2	0	317.477	2.281	10	70		DEIERP