smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCCc2cc(OC)ccc21	204761062	582513167	/nfs/dbraw/zinc/51/31/67/582513167.db2.gz	MRNKTNYEAZTWBE-UHFFFAOYSA-N	1	2	191.274	2.468	50	10		AECALO
CC[N@H+]1CCCc2cc(OC)ccc21	204761062	582513170	/nfs/dbraw/zinc/51/31/70/582513170.db2.gz	MRNKTNYEAZTWBE-UHFFFAOYSA-N	1	2	191.274	2.468	50	10		AECALO
CN(C)c1ccc2c(c1)CCC[NH2+]2	9646657	343021553	/nfs/dbraw/zinc/02/15/53/343021553.db2.gz	OHCVHHJFTXAXQX-UHFFFAOYSA-N	1	2	176.263	2.111	50	10	in-vitro	AECALO
[NH2+]=Nc1ccccc1	6096803	169145228	/nfs/dbraw/zinc/14/52/28/169145228.db2.gz	RZGQJANKGMICOP-UHFFFAOYSA-N	1	2	106.128	2.349	50	10		AECALO
[NH3+]Cc1cc(Cl)cc(Cl)c1O	22148448	169220340	/nfs/dbraw/zinc/22/03/40/169220340.db2.gz	JTVDZUWMDWGQSB-UHFFFAOYSA-N	1	2	192.045	2.158	50	10	in-vitro	AECALO
Nc1ccc(Nc2ccccc2)[nH+]c1	8701102	169292599	/nfs/dbraw/zinc/29/25/99/169292599.db2.gz	NDNQUJQOJSNZGA-UHFFFAOYSA-N	1	2	185.230	2.407	50	10	in-vitro	AECALO
Nc1ccc(Nc2cccc[nH+]2)cc1	19432531	169292950	/nfs/dbraw/zinc/29/29/50/169292950.db2.gz	GIGDUYPRRWGWIC-UHFFFAOYSA-N	1	2	185.230	2.407	50	10	in-vitro	AECALO
Nc1ccc(Oc2cc[nH+]cc2)cc1	8764190	169293319	/nfs/dbraw/zinc/29/33/19/169293319.db2.gz	IHAFMSZIVGDZTC-UHFFFAOYSA-N	1	2	186.214	2.456	50	10	in-vitro	AECALO
C[NH+](C)c1ccc2c(c1)CCCN2	9646657	343021550	/nfs/dbraw/zinc/02/15/50/343021550.db2.gz	OHCVHHJFTXAXQX-UHFFFAOYSA-N	1	2	176.263	2.111	50	10	in-vitro	AECALO
c1cc2c(cc1[NH+]1CCCC1)CCN2	5505	351268399	/nfs/dbraw/zinc/26/83/99/351268399.db2.gz	LVYUIPFTJKUOGE-UHFFFAOYSA-N	1	2	188.274	2.255	50	10		AECALO