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]1CCCC[N@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000179849476	883032967	/nfs/dbraw/zinc/03/29/67/883032967.db2.gz	CMKCGSHXDCQJOF-AUSIDOKSSA-N	2	1	389.523	3.588	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC[NH+]1C	ZINC000329032453	845646132	/nfs/dbraw/zinc/64/61/32/845646132.db2.gz	XORPSWNJGXRLIR-IOMROCGXSA-N	2	1	387.572	3.557	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CCC[N@@H+]1C	ZINC000329032453	845646138	/nfs/dbraw/zinc/64/61/38/845646138.db2.gz	XORPSWNJGXRLIR-IOMROCGXSA-N	2	1	387.572	3.557	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CCC[N@H+]1C	ZINC000329032453	845646148	/nfs/dbraw/zinc/64/61/48/845646148.db2.gz	XORPSWNJGXRLIR-IOMROCGXSA-N	2	1	387.572	3.557	10	30		GHEEMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	ZINC000329695546	862099413	/nfs/dbraw/zinc/09/94/13/862099413.db2.gz	XOOGBLMUXBRKAE-GOSISDBHSA-N	2	1	375.561	3.651	10	30		GHEEMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1	ZINC000329598327	861735470	/nfs/dbraw/zinc/73/54/70/861735470.db2.gz	PPCQWFVWOGSGJT-HMXCVIKNSA-N	2	1	395.551	3.832	10	30		GHEEMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1	ZINC000329598327	861735481	/nfs/dbraw/zinc/73/54/81/861735481.db2.gz	PPCQWFVWOGSGJT-HMXCVIKNSA-N	2	1	395.551	3.832	10	30		GHEEMP
COc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1OCCCC#N	ZINC000174430430	882469641	/nfs/dbraw/zinc/46/96/41/882469641.db2.gz	DJKMTVHALFDMQW-UHFFFAOYSA-N	2	1	394.519	3.840	10	30		GHEEMP
C[C@H]1CCCC[N@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000160084911	863303845	/nfs/dbraw/zinc/30/38/45/863303845.db2.gz	UVWBGSQIHXIOCC-PGRDOPGGSA-N	2	1	382.503	3.856	10	30		GHEEMP
COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OCCCC#N	ZINC000121800114	886568758	/nfs/dbraw/zinc/56/87/58/886568758.db2.gz	RILWTEGHNDRDFY-UHFFFAOYSA-N	2	1	382.508	3.566	10	30		GHEEMP
C[C@@H]1CCCC[N@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000160084786	863300818	/nfs/dbraw/zinc/30/08/18/863300818.db2.gz	UVWBGSQIHXIOCC-XMSQKQJNSA-N	2	1	382.503	3.856	10	30		GHEEMP
C[C@H]1CCCC[N@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000245514909	888832279	/nfs/dbraw/zinc/83/22/79/888832279.db2.gz	CMKCGSHXDCQJOF-CVDCTZTESA-N	2	1	389.523	3.588	10	30		GHEEMP
Cn1cc[nH+]c1CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000121760967	877713077	/nfs/dbraw/zinc/71/30/77/877713077.db2.gz	VRAREHRVUCKEAS-UHFFFAOYSA-N	2	1	388.519	3.652	10	30		GHEEMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1	ZINC000329598326	861735097	/nfs/dbraw/zinc/73/50/97/861735097.db2.gz	PPCQWFVWOGSGJT-CEWLAPEOSA-N	2	1	395.551	3.832	10	30		GHEEMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1	ZINC000329598326	861735105	/nfs/dbraw/zinc/73/51/05/861735105.db2.gz	PPCQWFVWOGSGJT-CEWLAPEOSA-N	2	1	395.551	3.832	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC[NH+]1C	ZINC000329032452	845646424	/nfs/dbraw/zinc/64/64/24/845646424.db2.gz	XORPSWNJGXRLIR-DZFGPLHGSA-N	2	1	387.572	3.557	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CCC[N@@H+]1C	ZINC000329032452	845646430	/nfs/dbraw/zinc/64/64/30/845646430.db2.gz	XORPSWNJGXRLIR-DZFGPLHGSA-N	2	1	387.572	3.557	10	30		GHEEMP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CCC[N@H+]1C	ZINC000329032452	845646435	/nfs/dbraw/zinc/64/64/35/845646435.db2.gz	XORPSWNJGXRLIR-DZFGPLHGSA-N	2	1	387.572	3.557	10	30		GHEEMP
C[C@H]1CCCC[N@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000179849490	883034024	/nfs/dbraw/zinc/03/40/24/883034024.db2.gz	CMKCGSHXDCQJOF-WMZHIEFXSA-N	2	1	389.523	3.588	10	30		GHEEMP
C[C@@H]1CCCC[N@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000245514910	888832162	/nfs/dbraw/zinc/83/21/62/888832162.db2.gz	CMKCGSHXDCQJOF-XXBNENTESA-N	2	1	389.523	3.588	10	30		GHEEMP
C[C@@H]1CCCC[N@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000245716144	889419702	/nfs/dbraw/zinc/41/97/02/889419702.db2.gz	UVWBGSQIHXIOCC-GCJKJVERSA-N	2	1	382.503	3.856	10	30		GHEEMP
C[C@H]1CCCC[N@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000245716136	889419526	/nfs/dbraw/zinc/41/95/26/889419526.db2.gz	UVWBGSQIHXIOCC-AVRDEDQJSA-N	2	1	382.503	3.856	10	30		GHEEMP
Cc1cccc(N2CCC([NH2+]Cc3cccn3Cc3ccccc3C#N)CC2)[nH+]1	ZINC000187932155	835238071	/nfs/dbraw/zinc/23/80/71/835238071.db2.gz	DSSAMRLJXFSMAW-UHFFFAOYSA-N	2	1	385.515	3.870	10	30		GHEEMP
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	ZINC000329695547	862098917	/nfs/dbraw/zinc/09/89/17/862098917.db2.gz	XOOGBLMUXBRKAE-SFHVURJKSA-N	2	1	375.561	3.651	10	30		GHEEMP
COc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OCCCC#N	ZINC000116924624	873792641	/nfs/dbraw/zinc/79/26/41/873792641.db2.gz	GFBGZCJXWSZHBT-UHFFFAOYSA-N	2	1	394.519	3.840	10	30		GHEEMP
Cc1ccc(N2CCC([NH2+]Cc3cccn3Cc3ccccc3C#N)CC2)[nH+]c1	ZINC000188023487	835354174	/nfs/dbraw/zinc/35/41/74/835354174.db2.gz	WQXLQYUCWZHSOO-UHFFFAOYSA-N	2	1	385.515	3.870	10	30		GHEEMP