smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCN1CCC(C(F)(F)F)CC1	ZINC000083878935	181380221	/nfs/dbraw/zinc/38/02/21/181380221.db2.gz	LXBHHKCLIVEIKK-UHFFFAOYSA-N	1	1	210.243	1.610	30	0		BDACMO
Nc1nc(N)c(Cc2ccccc2)c[nH+]1	ZINC000005425469	342763992	/nfs/dbraw/zinc/76/39/92/342763992.db2.gz	XHPZVBGIPQQTQW-UHFFFAOYSA-N	1	1	200.245	1.232	30	0		BDACMO
C[C@H]([C@H]1SC=CN1C)[N@H+]1CCC[C@@H](O)C1	ZINC000169618345	177031701	/nfs/dbraw/zinc/03/17/01/177031701.db2.gz	LYGAFUROAPTUSD-GMTAPVOTSA-N	1	1	228.361	1.308	30	0		BDACMO
Nc1nc(N)c(Cc2cccc(F)c2)c[nH+]1	ZINC000013726676	342870956	/nfs/dbraw/zinc/87/09/56/342870956.db2.gz	CBOOMIGGTVQYEO-UHFFFAOYSA-N	1	1	218.235	1.371	30	0		BDACMO
COc1cccc(Cc2c[nH+]c(N)nc2N)c1	ZINC000005115792	175272724	/nfs/dbraw/zinc/27/27/24/175272724.db2.gz	VJSZGADWCZOKOK-UHFFFAOYSA-N	1	1	230.271	1.240	30	0		BDACMO
[NH3+]Cc1nnc(Nc2ccccc2)s1	ZINC000015443040	342896258	/nfs/dbraw/zinc/89/62/58/342896258.db2.gz	SXOMRPFCVWHBMN-UHFFFAOYSA-N	1	1	206.274	1.740	30	0		BDACMO
C[C@@H]1C[N@@H+](C2CCC(=O)CC2)C[C@H](C)O1	ZINC000036532670	177242821	/nfs/dbraw/zinc/24/28/21/177242821.db2.gz	RRJKRACMYODCBJ-AOOOYVTPSA-N	1	1	211.305	1.607	30	0		BDACMO
C[C@H]([C@H]1SC=CN1C)[N@H+]1CCC[C@H](O)C1	ZINC000100108684	384291484	/nfs/dbraw/zinc/29/14/84/384291484.db2.gz	LYGAFUROAPTUSD-OUAUKWLOSA-N	1	1	228.361	1.308	30	0		BDACMO
C[C@H]([C@@H]1SC=CN1C)[N@H+]1CCC[C@H](O)C1	ZINC000100108690	177031230	/nfs/dbraw/zinc/03/12/30/177031230.db2.gz	LYGAFUROAPTUSD-VWYCJHECSA-N	1	1	228.361	1.308	30	0		BDACMO
Nc1nc(N)c(Cc2ccc(F)cc2)c[nH+]1	ZINC000013726688	342870868	/nfs/dbraw/zinc/87/08/68/342870868.db2.gz	CYWWLUGRQFFCDK-UHFFFAOYSA-N	1	1	218.235	1.371	30	0		BDACMO
C[C@H]([C@@H]1SC=CN1C)[N@H+]1CCC[C@@H](O)C1	ZINC000101709268	177030873	/nfs/dbraw/zinc/03/08/73/177030873.db2.gz	LYGAFUROAPTUSD-MXWKQRLJSA-N	1	1	228.361	1.308	30	0		BDACMO