smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1cc(C[NH2+][C@@H](CCn2cc[nH+]c2C)c2ccccc2)c(C)n1	ZINC000055368670	519282592	/nfs/dbraw/zinc/28/25/92/519282592.db2.gz	VMDNRXAXDOFPCT-NRFANRHFSA-N	2	1	349.482	3.804	50	30		EHEAMP
CC[C@@]1(C)C[C@]2(CCC[N@@H+](CC#CC[NH+]3CCCCC3)C2)CCO1	ZINC000001786848	564087622	/nfs/dbraw/zinc/08/76/22/564087622.db2.gz	QMQBUMXFHNIBGU-SFTDATJTSA-N	2	1	332.532	3.537	50	30	biogenic	EHEAMP
CC[C@]1(C)C[C@@]2(CCC[N@@H+](CC#CC[NH+]3CCCCC3)C2)CCO1	ZINC000004024940	564160108	/nfs/dbraw/zinc/16/01/08/564160108.db2.gz	QMQBUMXFHNIBGU-NHCUHLMSSA-N	2	1	332.532	3.537	50	30	biogenic	EHEAMP
C=CC[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2(C)C)CC1	ZINC000095973569	564143516	/nfs/dbraw/zinc/14/35/16/564143516.db2.gz	CUIHOPMAIBAWQE-OAQYLSRUSA-N	2	1	341.543	3.670	50	30		EHEAMP
C=CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2(C)C)CC1	ZINC000095973569	564143517	/nfs/dbraw/zinc/14/35/17/564143517.db2.gz	CUIHOPMAIBAWQE-OAQYLSRUSA-N	2	1	341.543	3.670	50	30		EHEAMP
CC[C@]1(C)C[C@]2(CCC[N@@H+](CC#CC[NH+]3CCCCC3)C2)CCO1	ZINC000004024943	210101452	/nfs/dbraw/zinc/10/14/52/210101452.db2.gz	QMQBUMXFHNIBGU-RTWAWAEBSA-N	2	1	332.532	3.537	50	30	biogenic	EHEAMP
Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000581806911	1132370243	/nfs/dbraw/zinc/37/02/43/1132370243.db2.gz	CZLJKLLFWZGENK-LJQANCHMSA-N	2	1	334.467	3.853	50	30		EHEAMP
Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000581806911	1132370249	/nfs/dbraw/zinc/37/02/49/1132370249.db2.gz	CZLJKLLFWZGENK-LJQANCHMSA-N	2	1	334.467	3.853	50	30		EHEAMP
Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000581806910	1132369536	/nfs/dbraw/zinc/36/95/36/1132369536.db2.gz	CZLJKLLFWZGENK-IBGZPJMESA-N	2	1	334.467	3.853	50	30		EHEAMP
Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000581806910	1132369544	/nfs/dbraw/zinc/36/95/44/1132369544.db2.gz	CZLJKLLFWZGENK-IBGZPJMESA-N	2	1	334.467	3.853	50	30		EHEAMP
CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CC#CC[NH+]3CCCCC3)C2)CCO1	ZINC000004024941	210102276	/nfs/dbraw/zinc/10/22/76/210102276.db2.gz	QMQBUMXFHNIBGU-LEWJYISDSA-N	2	1	332.532	3.537	50	30	biogenic	EHEAMP
C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)c1	ZINC000063833380	564066434	/nfs/dbraw/zinc/06/64/34/564066434.db2.gz	XPOSITPIBGIKOT-PZJWPPBQSA-N	2	1	328.500	3.948	50	30		EHEAMP
C=CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000063833380	564066435	/nfs/dbraw/zinc/06/64/35/564066435.db2.gz	XPOSITPIBGIKOT-PZJWPPBQSA-N	2	1	328.500	3.948	50	30		EHEAMP
C=CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000063833380	564066436	/nfs/dbraw/zinc/06/64/36/564066436.db2.gz	XPOSITPIBGIKOT-PZJWPPBQSA-N	2	1	328.500	3.948	50	30		EHEAMP
CC1(C)Cc2c(C#N)c([NH+]=CN3CCCCC3)sc2C(C)(C)[NH2+]1	ZINC000013113848	564100496	/nfs/dbraw/zinc/10/04/96/564100496.db2.gz	QHANFIOKHGCNBP-UHFFFAOYSA-N	2	1	330.501	3.925	50	30		EHEAMP
Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1	ZINC000575545923	1131568848	/nfs/dbraw/zinc/56/88/48/1131568848.db2.gz	OQQQCCQQRJXJKR-HXUWFJFHSA-N	2	1	334.467	3.538	50	30		EHEAMP
Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1	ZINC000575545923	1131568851	/nfs/dbraw/zinc/56/88/51/1131568851.db2.gz	OQQQCCQQRJXJKR-HXUWFJFHSA-N	2	1	334.467	3.538	50	30		EHEAMP
Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1	ZINC000575545917	1131568087	/nfs/dbraw/zinc/56/80/87/1131568087.db2.gz	OQQQCCQQRJXJKR-FQEVSTJZSA-N	2	1	334.467	3.538	50	30		EHEAMP
Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1	ZINC000575545917	1131568091	/nfs/dbraw/zinc/56/80/91/1131568091.db2.gz	OQQQCCQQRJXJKR-FQEVSTJZSA-N	2	1	334.467	3.538	50	30		EHEAMP
CC1(C)Cc2c(C#N)c(/[NH+]=C/N3CCCCC3)sc2C(C)(C)[NH2+]1	ZINC000000181700	209468885	/nfs/dbraw/zinc/46/88/85/209468885.db2.gz	QHANFIOKHGCNBP-UDWIEESQSA-N	2	1	330.501	3.925	50	30		EHEAMP
C=CCn1cc(C[N@@H+](C)Cc2ccccc2C[NH+]2CCCC2)c(C)n1	ZINC000055228267	519274982	/nfs/dbraw/zinc/27/49/82/519274982.db2.gz	MWIHOFQYFJMOIH-UHFFFAOYSA-N	2	1	338.499	3.605	50	30		EHEAMP
C=CCn1cc(C[N@H+](C)Cc2ccccc2C[NH+]2CCCC2)c(C)n1	ZINC000055228267	519274987	/nfs/dbraw/zinc/27/49/87/519274987.db2.gz	MWIHOFQYFJMOIH-UHFFFAOYSA-N	2	1	338.499	3.605	50	30		EHEAMP
C=C(C)COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC	ZINC000097105359	563967675	/nfs/dbraw/zinc/96/76/75/563967675.db2.gz	LOTBKTONHLBUNX-UHFFFAOYSA-N	2	1	344.499	3.710	50	30		EHEAMP
C=CCn1cc(C[NH2+][C@H](CCn2cc[nH+]c2C)c2ccccc2)c(C)n1	ZINC000055368673	519283182	/nfs/dbraw/zinc/28/31/82/519283182.db2.gz	VMDNRXAXDOFPCT-OAQYLSRUSA-N	2	1	349.482	3.804	50	30		EHEAMP
C=CC[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2(C)C)CC1	ZINC000095973570	564143504	/nfs/dbraw/zinc/14/35/04/564143504.db2.gz	CUIHOPMAIBAWQE-NRFANRHFSA-N	2	1	341.543	3.670	50	30		EHEAMP
C=CC[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2(C)C)CC1	ZINC000095973570	564143505	/nfs/dbraw/zinc/14/35/05/564143505.db2.gz	CUIHOPMAIBAWQE-NRFANRHFSA-N	2	1	341.543	3.670	50	30		EHEAMP