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]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000160077942	441857186	/nfs/dbraw/zinc/85/71/86/441857186.db2.gz	IOICRLRHCSIDOU-APWZRJJASA-N	2	2	335.467	1.910	10	70		EDIELP
C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000160077942	441857191	/nfs/dbraw/zinc/85/71/91/441857191.db2.gz	IOICRLRHCSIDOU-APWZRJJASA-N	2	2	335.467	1.910	10	70		EDIELP
CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159750045	527971148	/nfs/dbraw/zinc/97/11/48/527971148.db2.gz	QKVLXEXIGRANNU-MRXNPFEDSA-N	2	2	340.512	1.119	10	70		EDIELP
CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159750045	527971151	/nfs/dbraw/zinc/97/11/51/527971151.db2.gz	QKVLXEXIGRANNU-MRXNPFEDSA-N	2	2	340.512	1.119	10	70		EDIELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2cn(CC(=O)OC)nn2)C1	ZINC000160003650	441854083	/nfs/dbraw/zinc/85/40/83/441854083.db2.gz	UVCINRHUMMBHLP-HNNXBMFYSA-N	2	2	346.435	1.090	10	70		EDIELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2cn(CC(=O)OC)nn2)C1	ZINC000160003650	441854088	/nfs/dbraw/zinc/85/40/88/441854088.db2.gz	UVCINRHUMMBHLP-HNNXBMFYSA-N	2	2	346.435	1.090	10	70		EDIELP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000160697595	441910350	/nfs/dbraw/zinc/91/03/50/441910350.db2.gz	WCVXFYLLQLJTJI-AEFFLSMTSA-N	2	2	345.491	1.638	10	70		EDIELP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1	ZINC000160697595	441910355	/nfs/dbraw/zinc/91/03/55/441910355.db2.gz	WCVXFYLLQLJTJI-AEFFLSMTSA-N	2	2	345.491	1.638	10	70		EDIELP
C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000160078077	441857474	/nfs/dbraw/zinc/85/74/74/441857474.db2.gz	IOICRLRHCSIDOU-LPHOPBHVSA-N	2	2	335.467	1.910	10	70		EDIELP
C[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000160078077	441857482	/nfs/dbraw/zinc/85/74/82/441857482.db2.gz	IOICRLRHCSIDOU-LPHOPBHVSA-N	2	2	335.467	1.910	10	70		EDIELP
CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159749895	441834969	/nfs/dbraw/zinc/83/49/69/441834969.db2.gz	QKVLXEXIGRANNU-INIZCTEOSA-N	2	2	340.512	1.119	10	70		EDIELP
CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159749895	441834973	/nfs/dbraw/zinc/83/49/73/441834973.db2.gz	QKVLXEXIGRANNU-INIZCTEOSA-N	2	2	340.512	1.119	10	70		EDIELP
[NH3+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1	ZINC000160173053	225353215	/nfs/dbraw/zinc/35/32/15/225353215.db2.gz	NSBDVUCOCYQDNC-INIZCTEOSA-N	2	2	341.415	1.475	10	70		EDIELP
CCC[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)[NH+](C)C	ZINC000159405389	441809277	/nfs/dbraw/zinc/80/92/77/441809277.db2.gz	BPFYELOSCKSWGL-KRWDZBQOSA-N	2	2	335.496	1.411	10	70		EDIELP
O=C(Cn1c[nH+]cc1-c1ccccc1Br)N1CC[NH2+]CC1	ZINC000159632294	225251230	/nfs/dbraw/zinc/25/12/30/225251230.db2.gz	RVCVJOXBYCMKDD-UHFFFAOYSA-N	2	2	349.232	1.744	10	70		EDIELP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(Cl)cc2Cl)C1	ZINC000159880389	534635347	/nfs/dbraw/zinc/63/53/47/534635347.db2.gz	ADFHAQIKHFOTLQ-JTQLQIEISA-N	2	2	331.247	1.675	10	70		EDIELP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(Cl)cc2Cl)C1	ZINC000159880389	534635351	/nfs/dbraw/zinc/63/53/51/534635351.db2.gz	ADFHAQIKHFOTLQ-JTQLQIEISA-N	2	2	331.247	1.675	10	70		EDIELP
CCC[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C	ZINC000161258055	441978209	/nfs/dbraw/zinc/97/82/09/441978209.db2.gz	SFMQOLWJBBEBNG-GOSISDBHSA-N	2	2	333.476	1.940	10	70		EDIELP
CCC[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C	ZINC000161257935	441978473	/nfs/dbraw/zinc/97/84/73/441978473.db2.gz	SFMQOLWJBBEBNG-SFHVURJKSA-N	2	2	333.476	1.940	10	70		EDIELP
CN(CCC[NH+]1CCN(C)CC1)CC[N@H+](C)Cc1ccc(F)cc1	ZINC000161195165	441970018	/nfs/dbraw/zinc/97/00/18/441970018.db2.gz	JZYREIKDQCLEOI-UHFFFAOYSA-N	2	2	336.499	1.827	10	70		EDIELP
CN(CCC[NH+]1CCN(C)CC1)CC[N@@H+](C)Cc1ccc(F)cc1	ZINC000161195165	441970020	/nfs/dbraw/zinc/97/00/20/441970020.db2.gz	JZYREIKDQCLEOI-UHFFFAOYSA-N	2	2	336.499	1.827	10	70		EDIELP
C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCOCC1	ZINC000160286352	441870750	/nfs/dbraw/zinc/87/07/50/441870750.db2.gz	REHVLVRMWMKRCY-INIZCTEOSA-N	2	2	340.512	1.471	10	70		EDIELP