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+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1	ZINC000013760017	581094198	/nfs/dbraw/zinc/09/41/98/581094198.db2.gz	IZRKKTGXKLIJDE-GOSISDBHSA-N	1	1	297.417	4.595	1	0		CJAFMO
CC1(C)CCC[N@@H+](CCC[C@H]2CCc3ccccc32)C1	ZINC000013781271	170593710	/nfs/dbraw/zinc/59/37/10/170593710.db2.gz	ZFJWMMOBMJCSGW-KRWDZBQOSA-N	1	1	271.448	4.619	1	0		CJAFMO
CCCC[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)[N@H+]2C	ZINC000027556155	171520979	/nfs/dbraw/zinc/52/09/79/171520979.db2.gz	BGNPBRDPWFXAKX-YRXWBPOGSA-N	1	1	271.448	4.752	1	0		CJAFMO
CC1(C)CCC[N@@H+](CCCc2cccc3cc(O)ccc32)C1	ZINC000028711313	171571503	/nfs/dbraw/zinc/57/15/03/171571503.db2.gz	PZHDEYOXRGMVJB-UHFFFAOYSA-N	1	1	297.442	4.600	1	0		CJAFMO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2ccccc2)[N@H+]3C)cc1	ZINC000036093281	172437431	/nfs/dbraw/zinc/43/74/31/172437431.db2.gz	YJWQTICONBXOHT-CGXNFDGLSA-N	1	1	291.438	4.729	1	0		CJAFMO
CCc1cc2c(s1)C[N@@H+](CC)C[C@@H]2c1ccc(C)cc1	ZINC000038157538	174134394	/nfs/dbraw/zinc/13/43/94/174134394.db2.gz	BREFLLKTEFJVOH-QGZVFWFLSA-N	1	1	285.456	4.586	1	0		CJAFMO
CCc1cc2c(s1)C[N@@H+](CC)C[C@H]2c1ccc(C)cc1	ZINC000038157539	174134711	/nfs/dbraw/zinc/13/47/11/174134711.db2.gz	BREFLLKTEFJVOH-KRWDZBQOSA-N	1	1	285.456	4.586	1	0		CJAFMO
C[N@@H+]1Cc2sccc2[C@H](c2ccc(Cl)cc2Cl)C1	ZINC000038157578	174135062	/nfs/dbraw/zinc/13/50/62/174135062.db2.gz	FQZOLGKCSYLHQA-LBPRGKRZSA-N	1	1	298.238	4.632	1	0		CJAFMO
C[N@@H+]1Cc2sccc2[C@@H](c2ccc(Cl)cc2Cl)C1	ZINC000038157579	174135119	/nfs/dbraw/zinc/13/51/19/174135119.db2.gz	FQZOLGKCSYLHQA-GFCCVEGCSA-N	1	1	298.238	4.632	1	0		CJAFMO
Clc1ccc2c(c1)CCC[C@H]2Nc1[nH]c2ccccc2[nH+]1	ZINC000040380389	174249795	/nfs/dbraw/zinc/24/97/95/174249795.db2.gz	FHZMWDRXYFGGNB-CQSZACIVSA-N	1	1	297.789	4.706	1	0		CJAFMO
Clc1ccc2c(c1)CCC[C@@H]2Nc1[nH]c2ccccc2[nH+]1	ZINC000040380390	174250452	/nfs/dbraw/zinc/25/04/52/174250452.db2.gz	FHZMWDRXYFGGNB-AWEZNQCLSA-N	1	1	297.789	4.706	1	0		CJAFMO
C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccc2ccccc2c1	ZINC000040576120	174341644	/nfs/dbraw/zinc/34/16/44/174341644.db2.gz	YMXVNXYWTBATPP-NRFANRHFSA-N	1	1	287.406	4.612	1	0		CJAFMO
C[N@H+]1CCc2ccccc2[C@H]1Cc1ccc2ccccc2c1	ZINC000040576122	174341627	/nfs/dbraw/zinc/34/16/27/174341627.db2.gz	YMXVNXYWTBATPP-OAQYLSRUSA-N	1	1	287.406	4.612	1	0		CJAFMO
COc1cccc([C@]23CC[C@H](C2)[N@@H+](CC=C(C)C)CCC3)c1	ZINC000040646296	174364811	/nfs/dbraw/zinc/36/48/11/174364811.db2.gz	BGWJWORNIMWAQI-UYAOXDASSA-N	1	1	299.458	4.548	1	0		CJAFMO
C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc2ccccc2[nH]1	ZINC000040846787	581094925	/nfs/dbraw/zinc/09/49/25/581094925.db2.gz	UKIMHUAMNKODDM-AWEZNQCLSA-N	1	1	270.420	4.569	1	0		CJAFMO
Clc1cccc2c1CCC[C@@H]2Nc1[nH]c2ccccc2[nH+]1	ZINC000040847409	174419379	/nfs/dbraw/zinc/41/93/79/174419379.db2.gz	JXQZLHYWQBGVOS-AWEZNQCLSA-N	1	1	297.789	4.706	1	0		CJAFMO
CC(C)(C)c1ccc2[nH+]ccc(Nc3cccc(O)c3)c2c1	ZINC000045168632	175320133	/nfs/dbraw/zinc/32/01/33/175320133.db2.gz	YLGOFBVUMIJIPS-UHFFFAOYSA-N	1	1	292.382	4.982	1	0		CJAFMO
CCCCNc1[nH+]ccc2ccc(-c3ccncc3)cc21	ZINC000045201352	175327145	/nfs/dbraw/zinc/32/71/45/175327145.db2.gz	MBDVOMMZJZVFLP-UHFFFAOYSA-N	1	1	277.371	4.509	1	0		CJAFMO
C[N@@H+]1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1	ZINC000045290326	175353920	/nfs/dbraw/zinc/35/39/20/175353920.db2.gz	KTRZGLCVCAVBHT-OYRHEFFESA-N	1	1	293.454	4.715	1	0		CJAFMO
CC(C)CC[N@@H+](CCc1c[nH]c2ccccc12)CC(C)C	ZINC000071332586	176125710	/nfs/dbraw/zinc/12/57/10/176125710.db2.gz	NJVRJDGDBJWRQN-UHFFFAOYSA-N	1	1	286.463	4.715	1	0		CJAFMO
Clc1ccc(-c2c[nH]c(NC3CCCC3)[nH+]2)cc1Cl	ZINC000072106665	176316229	/nfs/dbraw/zinc/31/62/29/176316229.db2.gz	CJFDFPIZFLPMDM-UHFFFAOYSA-N	1	1	296.201	4.738	1	0		CJAFMO
CSc1ccc(-c2c[nH]c(NC3CCCCC3)[nH+]2)cc1	ZINC000072112495	176317664	/nfs/dbraw/zinc/31/76/64/176317664.db2.gz	CBORLNPGYDBXAC-UHFFFAOYSA-N	1	1	287.432	4.543	1	0		CJAFMO
C[N@H+]1C[C@@H]2CCCC[C@]2(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000072113679	176318433	/nfs/dbraw/zinc/31/84/33/176318433.db2.gz	CHWUQEOFMAPDHN-BBRMVZONSA-N	1	1	298.257	4.658	1	0		CJAFMO
C[N@H+]1C[C@H]2CCCC[C@@]2(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000072113680	176318285	/nfs/dbraw/zinc/31/82/85/176318285.db2.gz	CHWUQEOFMAPDHN-CZUORRHYSA-N	1	1	298.257	4.658	1	0		CJAFMO
CC(C)C[N@@H+](C)Cc1coc(-c2cccc3ccccc32)n1	ZINC000072180816	176334526	/nfs/dbraw/zinc/33/45/26/176334526.db2.gz	CUQWJUPJTGXYBB-UHFFFAOYSA-N	1	1	294.398	4.583	1	0		CJAFMO
C[N@@H+](Cc1coc(-c2cccc3ccccc32)n1)C(C)(C)C	ZINC000072182404	176335186	/nfs/dbraw/zinc/33/51/86/176335186.db2.gz	GUJLYFVOJNAEED-UHFFFAOYSA-N	1	1	294.398	4.725	1	0		CJAFMO
Cc1ccc([C@H]2[C@@H]3CC[C@H](C[C@H]2c2ccccc2)[N@@H+]3C)cc1	ZINC000084742594	178924225	/nfs/dbraw/zinc/92/42/25/178924225.db2.gz	PSPJUVHWZINCFD-IVAOSVALSA-N	1	1	291.438	4.729	1	0		CJAFMO
C[N@@H+](Cc1ccccc1)C12C[C@H]3CC(C[C@H](C3)C1)C2(C)C	ZINC000095558880	185009732	/nfs/dbraw/zinc/00/97/32/185009732.db2.gz	LLHKJAFDNSAYHA-ZVBHREPYSA-N	1	1	283.459	4.723	1	0		CJAFMO
C[N@@H+](Cc1ccc(Cl)cc1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095560950	185009792	/nfs/dbraw/zinc/00/97/92/185009792.db2.gz	CPVVJVWXFWRPCY-RDJZCZTQSA-N	1	1	289.850	4.764	1	0		CJAFMO
Cc1[nH+]ccn1[C@H](c1cc2ccccc2o1)c1ccccc1	ZINC000095592940	185013926	/nfs/dbraw/zinc/01/39/26/185013926.db2.gz	ZYEXBFPXGDHSSB-IBGZPJMESA-N	1	1	288.350	4.575	1	0		CJAFMO
Cc1[nH+]ccn1[C@@H](c1cc2ccccc2o1)c1ccccc1	ZINC000095592941	185014134	/nfs/dbraw/zinc/01/41/34/185014134.db2.gz	ZYEXBFPXGDHSSB-LJQANCHMSA-N	1	1	288.350	4.575	1	0		CJAFMO
CC(C)C[C@H]1[C@H]2c3ccccc3C[C@H](c3ccccc32)[N@H+]1C	ZINC000095607543	185016234	/nfs/dbraw/zinc/01/62/34/185016234.db2.gz	DFHJAXSWKTWVHE-HKBOAZHASA-N	1	1	291.438	4.776	1	0		CJAFMO
Cc1[nH+]ccn1[C@@H](C)c1ccc2oc3ccccc3c2c1	ZINC000096915857	185128835	/nfs/dbraw/zinc/12/88/35/185128835.db2.gz	XNHQPXFGOCAULE-LBPRGKRZSA-N	1	1	276.339	4.700	1	0		CJAFMO
Cc1[nH+]ccn1[C@H](C)c1ccc2oc3ccccc3c2c1	ZINC000096915859	185129243	/nfs/dbraw/zinc/12/92/43/185129243.db2.gz	XNHQPXFGOCAULE-GFCCVEGCSA-N	1	1	276.339	4.700	1	0		CJAFMO
CCC[C@@H]1C(CC)=CC(CC)=C[N@H+]1[C@H]1C=CC=CC1	ZINC000086862472	256811806	/nfs/dbraw/zinc/81/18/06/256811806.db2.gz	WTQPHAPQSHTQSM-ZWKOTPCHSA-N	1	1	257.421	4.986	2	0		CJAFMO
CCC[C@H]1C(CC)=CC(CC)=C[N@H+]1[C@H]1C=CC=CC1	ZINC000086862473	256811812	/nfs/dbraw/zinc/81/18/12/256811812.db2.gz	WTQPHAPQSHTQSM-ROUUACIJSA-N	1	1	257.421	4.986	2	0		CJAFMO
CCCc1[nH+]c2ccc(C)cn2c1Cc1cccc(Cl)c1	ZINC000072121492	176320252	/nfs/dbraw/zinc/32/02/52/176320252.db2.gz	GZEMOZWAJKKXKE-UHFFFAOYSA-N	1	1	298.817	4.839	3	0		CJAFMO