smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)OCCc1c2ccccc2[nH+]c2ccccc21	ZINC000005011421	170055030	/nfs/dbraw/zinc/05/50/30/170055030.db2.gz	KSKLOHKHPKCQGV-UHFFFAOYSA-N	1	2	294.354	3.677	40	5		CHBBLO
CN(C)C(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000107969299	567084948	/nfs/dbraw/zinc/08/49/48/567084948.db2.gz	LXMREHGJWTVUKP-UHFFFAOYSA-N	1	2	281.384	3.646	40	5		CHBBLO
C[NH+](C)CC(=O)c1ccc2c(ccc3ccccc32)c1	ZINC000001569668	567837896	/nfs/dbraw/zinc/83/78/96/567837896.db2.gz	MXHAGVMWRKWAPK-UHFFFAOYSA-N	1	2	263.340	3.737	40	5		CHBBLO
S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)NC1CC1	ZINC000409190286	567934673	/nfs/dbraw/zinc/93/46/73/567934673.db2.gz	RMKJWPWJGPLKSB-UHFFFAOYSA-N	1	2	293.395	3.837	40	5		CHBBLO
Cc1cc[nH+]c(Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000199716117	1129211620	/nfs/dbraw/zinc/21/16/20/1129211620.db2.gz	PLBALDKTHDJUIK-UHFFFAOYSA-N	1	2	263.684	3.695	40	5		CHBBLO
Cc1cc2[nH+]cn(Cc3ccccc3[N+](=O)[O-])c2cc1C	ZINC000059475025	567191684	/nfs/dbraw/zinc/19/16/84/567191684.db2.gz	VYXKJIDXQZXXIY-UHFFFAOYSA-N	1	2	281.315	3.610	40	5		CHBBLO