smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCc1cc(C)[nH+]c(C)c1	15782029	166170272	/nfs/dbraw/zinc/17/02/72/166170272.db2.gz	BESJOQNOGUNKSM-UHFFFAOYSA-N	1	1	161.248	2.817	50	30		AFEAMO
C=CC[N@@H+](Cc1cccs1)C1CC1	58198002	166174893	/nfs/dbraw/zinc/17/48/93/166174893.db2.gz	WHIXRQYONPJUKF-UHFFFAOYSA-N	1	1	193.315	2.899	50	30		AFEAMO
C=CC[N@H+]1CC[C@H](c2ccccc2)C1	1294274	166179589	/nfs/dbraw/zinc/17/95/89/166179589.db2.gz	QJJJYMFYBIMRBM-ZDUSSCGKSA-N	1	1	187.286	2.662	50	30		AFEAMO
C=CC[N@H+]1CC[C@@H](c2ccccc2)C1	1294270	166180465	/nfs/dbraw/zinc/18/04/65/166180465.db2.gz	QJJJYMFYBIMRBM-CYBMUJFWSA-N	1	1	187.286	2.662	50	30		AFEAMO
C=CC[NH2+]Cc1c(F)cccc1Cl	6855829	166187889	/nfs/dbraw/zinc/18/78/89/166187889.db2.gz	YTZMRUNVNWFYBQ-UHFFFAOYSA-N	1	1	199.656	2.755	50	30		AFEAMO
CC[N@@H+](CCC#N)C1CCCCC1	19519210	167176860	/nfs/dbraw/zinc/17/68/60/167176860.db2.gz	MCPIGQQNAJMBQI-UHFFFAOYSA-N	1	1	180.295	2.555	50	30		AFEAMO
COc1cccc(/C=[NH+]/C(C)C)c1	44122731	168268178	/nfs/dbraw/zinc/26/81/78/168268178.db2.gz	HKMBOQDDARZGHD-XYOKQWHBSA-N	1	1	177.247	2.523	50	30		AFEAMO
N#CCC[N@H+]1CCCC2(CCCC2)C1	1894467	171003821	/nfs/dbraw/zinc/00/38/21/171003821.db2.gz	BJTPKCKLQOEFNU-UHFFFAOYSA-N	1	1	192.306	2.556	50	30		AFEAMO
N#CC1([NH+]2CCCCC2)CCCCC1	19618044	171035138	/nfs/dbraw/zinc/03/51/38/171035138.db2.gz	WWSAYKJWUZJLRT-UHFFFAOYSA-N	1	1	192.306	2.699	50	30	in-man	AFEAMO
CCSC(Nc1ccccc1)=[NH+]C	28137986	171047410	/nfs/dbraw/zinc/04/74/10/171047410.db2.gz	KNXRHFDTCCGJQY-UHFFFAOYSA-N	1	1	194.303	2.647	50	30		AFEAMO
C#CC[N@H+]1CCCC2(CCCCC2)C1	1294857	171206947	/nfs/dbraw/zinc/20/69/47/171206947.db2.gz	PGBPPYJWYVDBHZ-UHFFFAOYSA-N	1	1	191.318	2.666	50	30		AFEAMO
N#CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21	35159939	171216344	/nfs/dbraw/zinc/21/63/44/171216344.db2.gz	NNZUNUKJWGUGKW-NWDGAFQWSA-N	1	1	192.306	2.555	50	30		AFEAMO
N#CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21	35159940	171216452	/nfs/dbraw/zinc/21/64/52/171216452.db2.gz	NNZUNUKJWGUGKW-RYUDHWBXSA-N	1	1	192.306	2.555	50	30		AFEAMO
N#CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21	35159942	171216823	/nfs/dbraw/zinc/21/68/23/171216823.db2.gz	NNZUNUKJWGUGKW-NEPJUHHUSA-N	1	1	192.306	2.555	50	30		AFEAMO
N#CCC[N@H+]1CCC[C@H]2CCCC[C@H]21	35159941	171217145	/nfs/dbraw/zinc/21/71/45/171217145.db2.gz	NNZUNUKJWGUGKW-VXGBXAGGSA-N	1	1	192.306	2.555	50	30		AFEAMO
C[N@@H+](CC#CC1CC1)C1CCCCC1	15635858	674078693	/nfs/dbraw/zinc/07/86/93/674078693.db2.gz	AVTODHVPXXEXIF-UHFFFAOYSA-N	1	1	191.318	2.664	50	30		AFEAMO