smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000049963523	327299654	/nfs/dbraw/zinc/29/96/54/327299654.db2.gz	PSGYWASRJGNDFC-JTQLQIEISA-N	1	2	294.738	4.000	10	5		CIBELO
Cc1c2[nH]c3ccc(O)cc3c2c(C)c2c[nH+]ccc12	ZINC000013283689	560103496	/nfs/dbraw/zinc/10/34/96/560103496.db2.gz	QZTWUDDGLIDXSE-UHFFFAOYSA-N	1	2	262.312	4.192	10	5	biogenic,in-vivo	CIBELO
Cc1[nH+]ccc2c(C)c3[nH]c4c(cccc4O)c3cc12	ZINC000006069238	170173508	/nfs/dbraw/zinc/17/35/08/170173508.db2.gz	SYZMDVNLCRXQCL-UHFFFAOYSA-N	1	2	262.312	4.192	10	5		CIBELO
CC[NH+](CC)c1cccc(Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000005311911	170085189	/nfs/dbraw/zinc/08/51/89/170085189.db2.gz	YQXDJZFTRWOREN-UHFFFAOYSA-N	1	2	285.347	4.185	10	5		CIBELO
Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000049963522	327299660	/nfs/dbraw/zinc/29/96/60/327299660.db2.gz	PSGYWASRJGNDFC-SNVBAGLBSA-N	1	2	294.738	4.000	10	5		CIBELO
Cc1c2ccc3ccccc3c2[nH+]c2ccc(CO)cc12	ZINC000005159788	170072212	/nfs/dbraw/zinc/07/22/12/170072212.db2.gz	NHNNUFKPFVKFBH-UHFFFAOYSA-N	1	2	273.335	4.342	10	5		CIBELO
Cc1c2[nH]c3c(cccc3O)c2c(C)c2c[nH+]ccc12	ZINC000005159834	170072324	/nfs/dbraw/zinc/07/23/24/170072324.db2.gz	LMKVVMVYEHURBO-UHFFFAOYSA-N	1	2	262.312	4.192	10	5		CIBELO
[NH2+]=C(Nc1ccc2ccc3cccnc3c2n1)c1ccccc1	ZINC000005933998	170157567	/nfs/dbraw/zinc/15/75/67/170157567.db2.gz	JMEYMBAUUVMVOU-UHFFFAOYSA-N	1	2	298.349	4.220	10	5		CIBELO