smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](Cc1ccoc1)C1CCCCC1	757159	583074392	/nfs/dbraw/zinc/07/43/92/583074392.db2.gz	DUGVXKWTNQBNGG-UHFFFAOYSA-N	1	1	193.290	3.044	50	0		AGAAMO
C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1	96026881	343692384	/nfs/dbraw/zinc/69/23/84/343692384.db2.gz	ZSHRGPXLYZNBCR-AAEUAGOBSA-N	1	1	189.302	3.089	50	0		AGAAMO
CC[NH+]1Cc2cc3ccccc3cc2C1	1251733	167227161	/nfs/dbraw/zinc/22/71/61/167227161.db2.gz	FNGJFVQVJHHPHY-UHFFFAOYSA-N	1	1	197.281	3.175	50	0		AGAAMO
Cc1cc[nH+]c(NCc2ccccc2)c1	2141063	168890146	/nfs/dbraw/zinc/89/01/46/168890146.db2.gz	QHDJYTUZWBABGW-UHFFFAOYSA-N	1	1	198.269	3.002	50	0		AGAAMO
Cc1cccc(NCc2ccccc2)[nH+]1	389644	342936026	/nfs/dbraw/zinc/93/60/26/342936026.db2.gz	FJZQUYGOKRVORO-UHFFFAOYSA-N	1	1	198.269	3.002	50	0		AGAAMO
Cc1c2c(cc3ccccc13)C[N@@H+](C)C2	1323099	342944379	/nfs/dbraw/zinc/94/43/79/342944379.db2.gz	XRJXBEJIXDJPCY-UHFFFAOYSA-N	1	1	197.281	3.094	50	0	biogenic	AGAAMO
Cc1c2c(cc3ccccc13)C[N@H+](C)C2	1323099	342944381	/nfs/dbraw/zinc/94/43/81/342944381.db2.gz	XRJXBEJIXDJPCY-UHFFFAOYSA-N	1	1	197.281	3.094	50	0	biogenic	AGAAMO
CC(C)c1nc2ccc(Cl)cc2[nH]1	1580073	342948910	/nfs/dbraw/zinc/94/89/10/342948910.db2.gz	GAFJAHXSMPRMJQ-UHFFFAOYSA-N	1	1	194.665	3.340	50	0		AGAAMO
Cc1ccc[nH+]c1NC1CCCCC1	3249313	342981939	/nfs/dbraw/zinc/98/19/39/342981939.db2.gz	LKMFUVVVZFUIES-UHFFFAOYSA-N	1	1	190.290	3.135	50	0	in-vitro	AGAAMO
CCCC[N@@H+](C)Cc1ccc(C)cc1	4690070	342993906	/nfs/dbraw/zinc/99/39/06/342993906.db2.gz	HQDWNHKSVWXTMM-UHFFFAOYSA-N	1	1	191.318	3.227	50	0		AGAAMO
CCCC[N@@H+](C)Cc1ccccc1F	4680710	342994106	/nfs/dbraw/zinc/99/41/06/342994106.db2.gz	FVGNYYMHKGYFJX-UHFFFAOYSA-N	1	1	195.281	3.058	50	0		AGAAMO
Cc1cc[nH+]c(NC2CCCCC2)c1	6404381	343014255	/nfs/dbraw/zinc/01/42/55/343014255.db2.gz	VSKPIXLUZMPZKL-UHFFFAOYSA-N	1	1	190.290	3.135	50	0	in-vitro	AGAAMO
Cc1ccc(NC2CCCCC2)[nH+]c1	20011037	343065972	/nfs/dbraw/zinc/06/59/72/343065972.db2.gz	UBFIFUKQMCODHO-UHFFFAOYSA-N	1	1	190.290	3.135	50	0	in-vitro	AGAAMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1	34541049	343121445	/nfs/dbraw/zinc/12/14/45/343121445.db2.gz	IGOHZRWAEINEMC-LBPRGKRZSA-N	1	1	189.302	3.061	50	0		AGAAMO
CC(C)[N@H+]1CCC[C@H]1c1cccs1	69455677	343425366	/nfs/dbraw/zinc/42/53/66/343425366.db2.gz	JCIHBSZEQVHZHE-JTQLQIEISA-N	1	1	195.331	3.293	50	0		AGAAMO
CC(C)[N@H+]1CCC[C@@H]1c1cccs1	69455674	343425397	/nfs/dbraw/zinc/42/53/97/343425397.db2.gz	JCIHBSZEQVHZHE-SNVBAGLBSA-N	1	1	195.331	3.293	50	0		AGAAMO
C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1	96026880	343692346	/nfs/dbraw/zinc/69/23/46/343692346.db2.gz	ZSHRGPXLYZNBCR-YPMHNXCESA-N	1	1	189.302	3.089	50	0		AGAAMO
Cc1ccn2c(C)c(C(C)C)[nH+]c2c1	98209871	343707071	/nfs/dbraw/zinc/70/70/71/343707071.db2.gz	UPTFKTOWPWPYAR-UHFFFAOYSA-N	1	1	188.274	3.075	50	0	in-vitro	AGAAMO
C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccccc1	261361571	344956025	/nfs/dbraw/zinc/95/60/25/344956025.db2.gz	ZSHRGPXLYZNBCR-DGCLKSJQSA-N	1	1	189.302	3.089	50	0		AGAAMO
C[C@H]1CCC[N@@H+](C)[C@H]1c1ccccc1	261361573	344956093	/nfs/dbraw/zinc/95/60/93/344956093.db2.gz	ZSHRGPXLYZNBCR-WCQYABFASA-N	1	1	189.302	3.089	50	0		AGAAMO
c1ccc(-c2[nH+]cc3ccccn23)cc1	145284	351270353	/nfs/dbraw/zinc/27/03/53/351270353.db2.gz	BLGGTXOVNVHSSV-UHFFFAOYSA-N	1	1	194.237	3.001	50	0	in-vitro	AGAAMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1	38416401	351481023	/nfs/dbraw/zinc/48/10/23/351481023.db2.gz	IGOHZRWAEINEMC-GFCCVEGCSA-N	1	1	189.302	3.061	50	0		AGAAMO
CC(C)=CC[N@H+]1[C@@H](C)CCC[C@H]1C	44125847	351535400	/nfs/dbraw/zinc/53/54/00/351535400.db2.gz	IYXUODTYCDQUJI-TXEJJXNPSA-N	1	1	181.323	3.216	50	0		AGAAMO
CC[C@H]1CCC[C@H]2CCCC[C@H]1[N@H+]2C	101036085	351703278	/nfs/dbraw/zinc/70/32/78/351703278.db2.gz	ALSSUGAUSSIJKX-YNEHKIRRSA-N	1	1	195.350	3.440	50	0		AGAAMO
CC[C@@H]1CCC[C@H]2CCCC[C@H]1[N@H+]2C	101036084	351703290	/nfs/dbraw/zinc/70/32/90/351703290.db2.gz	ALSSUGAUSSIJKX-JHJVBQTASA-N	1	1	195.350	3.440	50	0		AGAAMO