smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCNc1ccnc2ccc(OC(F)(F)F)cc21	ZINC000028132369	202165792	/nfs/dbraw/zinc/16/57/92/202165792.db2.gz	MKWWLEAWGHPCGV-UHFFFAOYSA-N	1	3	341.377	4.277	1	0		EIAFHO
CN(C)[C@H]1c2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc21	ZINC000026641938	202146662	/nfs/dbraw/zinc/14/66/62/202146662.db2.gz	TYVURQJNWGIBHS-QFIPXVFZSA-N	1	3	336.479	4.183	1	0		EIAFHO
CC(C)C[N@H+](Cc1cc(F)ccc1C(F)(F)F)C1CCNCC1	ZINC000036093172	213061497	/nfs/dbraw/zinc/06/14/97/213061497.db2.gz	ALDYOAMDNHLYFY-UHFFFAOYSA-N	1	3	332.385	4.055	1	0		EIAFHO
CC(C)C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1CCNCC1	ZINC000036093172	213061500	/nfs/dbraw/zinc/06/15/00/213061500.db2.gz	ALDYOAMDNHLYFY-UHFFFAOYSA-N	1	3	332.385	4.055	1	0		EIAFHO
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C	ZINC000053050145	132185932	/nfs/dbraw/zinc/18/59/32/132185932.db2.gz	YAPCYKZPQAMZQI-UHFFFAOYSA-N	1	3	346.478	4.347	1	0		EIAFHO
FC(F)(F)c1ccccc1C[N@H+](C1CCCC1)C1CCNCC1	ZINC000036093140	213061344	/nfs/dbraw/zinc/06/13/44/213061344.db2.gz	XEPDVQDRLJLQLN-UHFFFAOYSA-N	1	3	326.406	4.202	1	0		EIAFHO
FC(F)(F)c1ccccc1C[N@@H+](C1CCCC1)C1CCNCC1	ZINC000036093140	213061346	/nfs/dbraw/zinc/06/13/46/213061346.db2.gz	XEPDVQDRLJLQLN-UHFFFAOYSA-N	1	3	326.406	4.202	1	0		EIAFHO
FC(F)(F)c1ccccc1CN(C1CCCC1)C1CC[NH2+]CC1	ZINC000036093140	213061349	/nfs/dbraw/zinc/06/13/49/213061349.db2.gz	XEPDVQDRLJLQLN-UHFFFAOYSA-N	1	3	326.406	4.202	1	0		EIAFHO
C[NH+]1CCC(c2c[nH]c3ccc(NC(=N)c4ccccc4)cc32)CC1	ZINC000073273401	216371656	/nfs/dbraw/zinc/37/16/56/216371656.db2.gz	KFWCDBVDGXETMV-UHFFFAOYSA-N	1	3	332.451	4.415	1	0		EIAFHO
CC(C)C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093159	213062116	/nfs/dbraw/zinc/06/21/16/213062116.db2.gz	SYBBVGDRPQQUDK-UHFFFAOYSA-N	1	3	332.385	4.055	1	0		EIAFHO
CC(C)C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093159	213062117	/nfs/dbraw/zinc/06/21/17/213062117.db2.gz	SYBBVGDRPQQUDK-UHFFFAOYSA-N	1	3	332.385	4.055	1	0		EIAFHO
Fc1ccc(C[N@H+](CC2CCC2)C2CCNCC2)c(C(F)(F)F)c1	ZINC000036093133	213061515	/nfs/dbraw/zinc/06/15/15/213061515.db2.gz	VVKADMNJXPXHTR-UHFFFAOYSA-N	1	3	344.396	4.199	1	0		EIAFHO
Fc1ccc(C[N@@H+](CC2CCC2)C2CCNCC2)c(C(F)(F)F)c1	ZINC000036093133	213061519	/nfs/dbraw/zinc/06/15/19/213061519.db2.gz	VVKADMNJXPXHTR-UHFFFAOYSA-N	1	3	344.396	4.199	1	0		EIAFHO
CCCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093178	213062030	/nfs/dbraw/zinc/06/20/30/213062030.db2.gz	SBVQNQUTDWXCGV-UHFFFAOYSA-N	1	3	332.385	4.199	1	0		EIAFHO
CCCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093178	213062032	/nfs/dbraw/zinc/06/20/32/213062032.db2.gz	SBVQNQUTDWXCGV-UHFFFAOYSA-N	1	3	332.385	4.199	1	0		EIAFHO
CCC(CC)[N@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1	ZINC000036093139	213062283	/nfs/dbraw/zinc/06/22/83/213062283.db2.gz	WZPMHSHOXSEHPH-UHFFFAOYSA-N	1	3	328.422	4.448	1	0		EIAFHO
CCC(CC)[N@@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1	ZINC000036093139	213062286	/nfs/dbraw/zinc/06/22/86/213062286.db2.gz	WZPMHSHOXSEHPH-UHFFFAOYSA-N	1	3	328.422	4.448	1	0		EIAFHO
CCC(CC)N(Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093139	213062289	/nfs/dbraw/zinc/06/22/89/213062289.db2.gz	WZPMHSHOXSEHPH-UHFFFAOYSA-N	1	3	328.422	4.448	1	0		EIAFHO