smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H]1CCCC[N+]1(C)C	14680511	167053541	/nfs/dbraw/zinc/05/35/41/167053541.db2.gz	DUMHGORTMDIJNA-SNVBAGLBSA-N	1	0	156.293	2.415	1	5	biogenic,in-vitro	AEBFRO
CCC[C@H]1CCCC[N+]1(C)C	14680513	167089005	/nfs/dbraw/zinc/08/90/05/167089005.db2.gz	DUMHGORTMDIJNA-JTQLQIEISA-N	1	0	156.293	2.415	1	5		AEBFRO
CO[C@@H](C[N+](C)(C)C)c1ccccc1	6068145	168203807	/nfs/dbraw/zinc/20/38/07/168203807.db2.gz	GQINVYXEQWNVSG-LBPRGKRZSA-N	1	0	194.298	2.080	1	5		AEBFRO
CO[C@H](C[N+](C)(C)C)c1ccccc1	6068158	168214869	/nfs/dbraw/zinc/21/48/69/168214869.db2.gz	GQINVYXEQWNVSG-GFCCVEGCSA-N	1	0	194.298	2.080	1	5		AEBFRO
COc1cc([N+](C)(C)C)ccc1C	13605093	168240220	/nfs/dbraw/zinc/24/02/20/168240220.db2.gz	YZUJXHKXTUOUQE-UHFFFAOYSA-N	1	0	180.271	2.200	1	5		AEBFRO
COc1ccc(C)c([N+](C)(C)C)c1	13605092	168246111	/nfs/dbraw/zinc/24/61/11/168246111.db2.gz	ZRJNTMHQIDCDLL-UHFFFAOYSA-N	1	0	180.271	2.200	1	5		AEBFRO
COc1cccc([N+](C)(C)C)c1C	13605090	168273287	/nfs/dbraw/zinc/27/32/87/168273287.db2.gz	YBAOERMDQLYCJA-UHFFFAOYSA-N	1	0	180.271	2.200	1	5		AEBFRO
C[C@H]1CNc2ccccc2C[N+]1(C)C	169316401	168643512	/nfs/dbraw/zinc/64/35/12/168643512.db2.gz	BDHWYTUROBBVKO-JTQLQIEISA-N	1	0	191.298	2.077	1	5		AEBFRO
Nc1cc2cccc[n+]2c2ccccc12	1586995	169288623	/nfs/dbraw/zinc/28/86/23/169288623.db2.gz	RIDRNCSCRBESSL-UHFFFAOYSA-O	1	0	195.245	2.161	1	5		AEBFRO
C[N+]1(C)CCC[C@H]1c1ccco1	40893087	171081453	/nfs/dbraw/zinc/08/14/53/171081453.db2.gz	UQKUWRGDEQERRW-VIFPVBQESA-N	1	0	166.244	2.191	1	5		AEBFRO
C[N+]1(C)CCC[C@@H]1c1ccco1	40893084	171081833	/nfs/dbraw/zinc/08/18/33/171081833.db2.gz	UQKUWRGDEQERRW-SECBINFHSA-N	1	0	166.244	2.191	1	5		AEBFRO
CC[N+]1(C)CCc2ccccc2C1	1481935	717088475	/nfs/dbraw/zinc/08/84/75/717088475.db2.gz	KTYUMBVKMXGUNR-UHFFFAOYSA-N	1	0	176.283	2.209	1	5	in-man	AEBFRO
CC[N+](C)(CC)CCc1ccccn1	5140186	717098569	/nfs/dbraw/zinc/09/85/69/717098569.db2.gz	WZXGSKIGSSEPSE-UHFFFAOYSA-N	1	0	193.314	2.111	1	5		AEBFRO
CC1(C)C=N[N+]2(C)[C@H]1[C@@H]1C=C[C@H]2CC1	17193868	717112349	/nfs/dbraw/zinc/11/23/49/717112349.db2.gz	RUIPEXMCEBSRSU-CWIQIKOMSA-N	1	0	191.298	2.176	1	5		AEBFRO
Cc1cccc([N+](C)(C)C)c1	21981728	717113143	/nfs/dbraw/zinc/11/31/43/717113143.db2.gz	IUWCURZUIVYSQI-UHFFFAOYSA-N	1	0	150.245	2.192	1	5		AEBFRO
C[C@H]1CC[C@@H](C[N+](C)(C)C)C1	33805896	717122122	/nfs/dbraw/zinc/12/21/22/717122122.db2.gz	GBVAWIUXJREWFF-VHSXEESVSA-N	1	0	156.293	2.129	1	5		AEBFRO
C[N+](C)(C)/C=C/c1ccc(O)cc1	34497071	717124741	/nfs/dbraw/zinc/12/47/41/717124741.db2.gz	XLKUFENKKKGUMA-CMDGGOBGSA-O	1	0	178.255	2.069	1	5		AEBFRO
CC1=CC[C@@H](C[N+](C)(C)C)C1	39249082	717126820	/nfs/dbraw/zinc/12/68/20/717126820.db2.gz	VHJSNPMZXKUZOJ-SNVBAGLBSA-N	1	0	154.277	2.049	1	5		AEBFRO
Cc1ccc([C@H]2CCC[N+]2(C)C)o1	40379711	717127308	/nfs/dbraw/zinc/12/73/08/717127308.db2.gz	QNSARCANYFMUAG-SNVBAGLBSA-N	1	0	180.271	2.499	1	5		AEBFRO
Cc1ccc([C@@H]2CCC[N+]2(C)C)o1	40379710	717127528	/nfs/dbraw/zinc/12/75/28/717127528.db2.gz	QNSARCANYFMUAG-JTQLQIEISA-N	1	0	180.271	2.499	1	5		AEBFRO
C[C@@H]1CNc2ccccc2C[N+]1(C)C	169316400	717155517	/nfs/dbraw/zinc/15/55/17/717155517.db2.gz	BDHWYTUROBBVKO-SNVBAGLBSA-N	1	0	191.298	2.077	1	5		AEBFRO
C[N+](C)(C)C[C@@H]1CC=CCC1	219216355	717161451	/nfs/dbraw/zinc/16/14/51/717161451.db2.gz	JUZRPTQGRDEBRP-SNVBAGLBSA-N	1	0	154.277	2.049	1	5		AEBFRO