smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1C)C(=NNC(=O)C[N+](C)(C)C)CCO2	ZINC000794457676	717190338	/nfs/dbraw/zinc/19/03/38/717190338.db2.gz	UILHJCYFQLEARN-UHFFFAOYSA-O	1	0	290.387	1.612	20	50		CDGDRO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631160	719249306	/nfs/dbraw/zinc/24/93/06/719249306.db2.gz	CDEGPPSESFXXQD-WDEREUQCSA-N	1	0	296.802	1.788	20	50		CDGDRO
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)C[N+](C)(C)C	ZINC000920361826	717193853	/nfs/dbraw/zinc/19/38/53/717193853.db2.gz	ZMDPUNPTJKNWMB-UHFFFAOYSA-O	1	0	290.387	1.612	20	50		CDGDRO
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)C[N+](C)(C)C	ZINC000794456256	717189772	/nfs/dbraw/zinc/18/97/72/717189772.db2.gz	KDESUBOITVZRMT-NSHDSACASA-O	1	0	292.378	1.935	20	50		CDGDRO
C=CCC(=NNC(=O)C[N+](C)(C)C)c1ccc(F)cc1	ZINC000794456264	717189790	/nfs/dbraw/zinc/18/97/90/717189790.db2.gz	KFFMTCRQMNEULV-UHFFFAOYSA-O	1	0	278.351	1.928	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc2c(c1)CCC2	ZINC000916270431	717192654	/nfs/dbraw/zinc/19/26/54/717192654.db2.gz	FXGHTXXPKNTBEQ-UHFFFAOYSA-O	1	0	274.388	1.722	20	50		CDGDRO
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)c2ccccc2O1	ZINC000794454854	717189329	/nfs/dbraw/zinc/18/93/29/717189329.db2.gz	CMRHHDUOVRJEPS-UHFFFAOYSA-O	1	0	290.387	1.774	20	50		CDGDRO
CCO[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C12CCCCC2	ZINC000794456798	717189847	/nfs/dbraw/zinc/18/98/47/717189847.db2.gz	NALMKDKOIPXIIK-AWEZNQCLSA-O	1	0	296.435	1.924	20	50		CDGDRO
C[NH+](C)[C@H]1CCCN(c2ncccc2NC(=O)CCl)C1	ZINC001165034357	721895125	/nfs/dbraw/zinc/89/51/25/721895125.db2.gz	DKNNZFAXPJQWJR-NSHDSACASA-N	1	0	296.802	1.789	20	50		CDGDRO
C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634851	719232120	/nfs/dbraw/zinc/23/21/20/719232120.db2.gz	HSVNEPPWBCYQEM-QWRGUYRKSA-N	1	0	296.802	1.788	20	50		CDGDRO
N#CC1=CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826381001	609475306	/nfs/dbraw/zinc/47/53/06/609475306.db2.gz	UGLVLJVPNWGEBU-UHFFFAOYSA-N	1	0	266.308	1.522	20	50		CDGDRO
Cc1cc(Cl)cc2c1OCC2=NNC(=O)C[N+](C)(C)C	ZINC000814694606	717190741	/nfs/dbraw/zinc/19/07/41/717190741.db2.gz	RDEDHFIVGADSLX-UHFFFAOYSA-O	1	0	296.778	1.567	20	50		CDGDRO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634852	719232421	/nfs/dbraw/zinc/23/24/21/719232421.db2.gz	HSVNEPPWBCYQEM-WDEREUQCSA-N	1	0	296.802	1.788	20	50		CDGDRO
CCc1cccc2c1OCCC2=NNC(=O)C[N+](C)(C)C	ZINC000794858840	717190890	/nfs/dbraw/zinc/19/08/90/717190890.db2.gz	WZMXNRPVNDAXNX-UHFFFAOYSA-O	1	0	290.387	1.558	20	50		CDGDRO
CCCCO[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(C)C	ZINC000794456242	717189680	/nfs/dbraw/zinc/18/96/80/717189680.db2.gz	JRSUPYPOJSJOBP-ZDUSSCGKSA-O	1	0	284.424	1.780	20	50		CDGDRO
C[NH+](C)[C@@H]1CCCN(c2ccc(NC(=O)CCl)cn2)C1	ZINC001165034566	721898212	/nfs/dbraw/zinc/89/82/12/721898212.db2.gz	DPKYORJOSFVDIU-GFCCVEGCSA-N	1	0	296.802	1.789	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(C)c(C)c1	ZINC000916270392	717192937	/nfs/dbraw/zinc/19/29/37/717192937.db2.gz	BWCPKGNDWJZXGC-UHFFFAOYSA-O	1	0	262.377	1.850	20	50		CDGDRO
C[NH+](C)[C@H]1CCCN(c2ccc(NC(=O)CCl)cn2)C1	ZINC001165034567	721898117	/nfs/dbraw/zinc/89/81/17/721898117.db2.gz	DPKYORJOSFVDIU-LBPRGKRZSA-N	1	0	296.802	1.789	20	50		CDGDRO
CCc1ccc(C(C)=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916270459	717193222	/nfs/dbraw/zinc/19/32/22/717193222.db2.gz	HFSABEUHWDDEAY-UHFFFAOYSA-O	1	0	262.377	1.795	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(C)cc(C)c1	ZINC000794456107	717189208	/nfs/dbraw/zinc/18/92/08/717189208.db2.gz	HZNIPSTXUOEPQC-UHFFFAOYSA-O	1	0	262.377	1.850	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2ccc(Cl)cc21	ZINC000794456776	717189852	/nfs/dbraw/zinc/18/98/52/717189852.db2.gz	MUVMSNQZZBAPJT-UHFFFAOYSA-O	1	0	280.779	1.813	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1C2CC3CC(C2)CC1C3	ZINC000916270439	717193364	/nfs/dbraw/zinc/19/33/64/717193364.db2.gz	GPLKVDWIXLMNMG-UHFFFAOYSA-O	1	0	264.393	1.621	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1Cc2ccc(Cl)cc2C1	ZINC000794457920	717190378	/nfs/dbraw/zinc/19/03/78/717190378.db2.gz	WZZYEMKEYVXYRD-UHFFFAOYSA-O	1	0	280.779	1.617	20	50		CDGDRO
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)c2ccccc21	ZINC000920361805	717194402	/nfs/dbraw/zinc/19/44/02/717194402.db2.gz	YTILJMSEWWGFRJ-UHFFFAOYSA-O	1	0	274.388	1.894	20	50		CDGDRO
CCCCO[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(C)C	ZINC000794456241	717189841	/nfs/dbraw/zinc/18/98/41/717189841.db2.gz	JRSUPYPOJSJOBP-CYBMUJFWSA-O	1	0	284.424	1.780	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(C)ccc1C	ZINC000916270900	717193882	/nfs/dbraw/zinc/19/38/82/717193882.db2.gz	UTRIGYRBMBIEKG-UHFFFAOYSA-O	1	0	262.377	1.850	20	50		CDGDRO
C[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H](C)C[N@@H+]1C	ZINC001164631155	719248420	/nfs/dbraw/zinc/24/84/20/719248420.db2.gz	CDEGPPSESFXXQD-MNOVXSKESA-N	1	0	296.802	1.788	20	50		CDGDRO
CCC(=NNC(=O)C[N+](C)(C)C)c1cc(C)ccc1OC	ZINC000794457699	717190597	/nfs/dbraw/zinc/19/05/97/717190597.db2.gz	UMPWQXODRKDKNJ-UHFFFAOYSA-O	1	0	292.403	1.940	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1CCCCc2ccccc21	ZINC000916270855	717194016	/nfs/dbraw/zinc/19/40/16/717194016.db2.gz	QONGDUCHHUUMPK-UHFFFAOYSA-O	1	0	274.388	1.940	20	50		CDGDRO
C[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H](C)C[N@@H+]1C	ZINC001164634850	719232750	/nfs/dbraw/zinc/23/27/50/719232750.db2.gz	HSVNEPPWBCYQEM-MNOVXSKESA-N	1	0	296.802	1.788	20	50		CDGDRO
CCO[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(CC)CC	ZINC000794455201	717189495	/nfs/dbraw/zinc/18/94/95/717189495.db2.gz	CUABYSXMQNLFCH-ZDUSSCGKSA-O	1	0	284.424	1.780	20	50		CDGDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631153	719248868	/nfs/dbraw/zinc/24/88/68/719248868.db2.gz	CDEGPPSESFXXQD-GHMZBOCLSA-N	1	0	296.802	1.788	20	50		CDGDRO
C[NH+](C)[C@@H]1CCCN(c2ncccc2NC(=O)CCl)C1	ZINC001165034356	721895199	/nfs/dbraw/zinc/89/51/99/721895199.db2.gz	DKNNZFAXPJQWJR-LLVKDONJSA-N	1	0	296.802	1.789	20	50		CDGDRO
Cc1cc(C)c(C(=O)NNc2cc[nH+]cc2)cc1C=O	ZINC000793785028	779188983	/nfs/dbraw/zinc/18/89/83/779188983.db2.gz	HIJXLDPKQLKNBB-UHFFFAOYSA-N	1	0	269.304	1.690	20	50		CDGDRO
CCO[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C12CCCCC2	ZINC000794456808	717189995	/nfs/dbraw/zinc/18/99/95/717189995.db2.gz	NALMKDKOIPXIIK-CQSZACIVSA-O	1	0	296.435	1.924	20	50		CDGDRO
CC(C)CO[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(C)C	ZINC000794457616	717190315	/nfs/dbraw/zinc/19/03/15/717190315.db2.gz	SSUCHCJVAZIJIL-ZDUSSCGKSA-O	1	0	284.424	1.636	20	50		CDGDRO
C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631158	719249245	/nfs/dbraw/zinc/24/92/45/719249245.db2.gz	CDEGPPSESFXXQD-QWRGUYRKSA-N	1	0	296.802	1.788	20	50		CDGDRO
Cc1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCC2	ZINC000794455542	717189507	/nfs/dbraw/zinc/18/95/07/717189507.db2.gz	HTIIJQXFDUGFBF-UHFFFAOYSA-O	1	0	274.388	1.858	20	50		CDGDRO
CCO[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(CC)CC	ZINC000794455187	717189181	/nfs/dbraw/zinc/18/91/81/717189181.db2.gz	CUABYSXMQNLFCH-CYBMUJFWSA-O	1	0	284.424	1.780	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2c1cccc2Cl	ZINC000921251616	717195065	/nfs/dbraw/zinc/19/50/65/717195065.db2.gz	RVULSWJSBUHNNV-UHFFFAOYSA-O	1	0	280.779	1.813	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2cc(Cl)ccc21	ZINC000794457217	717189877	/nfs/dbraw/zinc/18/98/77/717189877.db2.gz	PTINIJGTHPUZNX-UHFFFAOYSA-O	1	0	280.779	1.813	20	50		CDGDRO
Cc1cc(C)c2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCO2	ZINC000920361475	717194091	/nfs/dbraw/zinc/19/40/91/717194091.db2.gz	PFLBBVGOPVRGDY-UHFFFAOYSA-O	1	0	290.387	1.612	20	50		CDGDRO
C[N+](C)(C)CC(=O)NN=C(Cc1ccccc1)C1CC1	ZINC000794455259	717189412	/nfs/dbraw/zinc/18/94/12/717189412.db2.gz	DGCDWJLYOVKWDI-UHFFFAOYSA-O	1	0	274.388	1.818	20	50		CDGDRO
CC(C)CO[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C1(C)C	ZINC000794457613	717190553	/nfs/dbraw/zinc/19/05/53/717190553.db2.gz	SSUCHCJVAZIJIL-CYBMUJFWSA-O	1	0	284.424	1.636	20	50		CDGDRO
Cc1ccccc1C(=NNC(=O)C[N+](C)(C)C)C1CC1	ZINC000794457349	717190447	/nfs/dbraw/zinc/19/04/47/717190447.db2.gz	RHAOMSCOLKPJGW-UHFFFAOYSA-O	1	0	274.388	1.932	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)C1C(C)(C)C1(C)C	ZINC000794457547	717190329	/nfs/dbraw/zinc/19/03/29/717190329.db2.gz	SEJVRYXZGHIJIW-UHFFFAOYSA-O	1	0	254.398	1.867	20	50		CDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(C)c(F)c(C)c1	ZINC000794455451	717189450	/nfs/dbraw/zinc/18/94/50/717189450.db2.gz	GGQSDUBYSXAVFF-UHFFFAOYSA-O	1	0	280.367	1.989	20	50		CDGDRO
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)C[N+](C)(C)C	ZINC000794456255	717189914	/nfs/dbraw/zinc/18/99/14/717189914.db2.gz	KDESUBOITVZRMT-LLVKDONJSA-O	1	0	292.378	1.935	20	50		CDGDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634849	719232814	/nfs/dbraw/zinc/23/28/14/719232814.db2.gz	HSVNEPPWBCYQEM-GHMZBOCLSA-N	1	0	296.802	1.788	20	50		CDGDRO
CCC(=NNC(=O)C[N+](C)(C)C)c1cccc(C)c1	ZINC000794858634	717191199	/nfs/dbraw/zinc/19/11/99/717191199.db2.gz	QFEGUXAWGRNIKY-UHFFFAOYSA-O	1	0	262.377	1.932	20	50		CDGDRO