smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c3c(cc(NCCNCCO)c21)N(CCO)CCN3	ZINC000005370857	132305421	/nfs/dbraw/zinc/30/54/21/132305421.db2.gz	NRNLGFHOVQJINB-UHFFFAOYSA-N	0	3	410.474	0.680	40	10		HCCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419911	569025829	/nfs/dbraw/zinc/02/58/29/569025829.db2.gz	AOBCAHZECONZOV-PMACEKPBSA-N	0	3	404.536	0.601	40	10		HCCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419912	569025943	/nfs/dbraw/zinc/02/59/43/569025943.db2.gz	AOBCAHZECONZOV-UXHICEINSA-N	0	3	404.536	0.601	40	10		HCCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419913	569025945	/nfs/dbraw/zinc/02/59/45/569025945.db2.gz	AOBCAHZECONZOV-VQTJNVASSA-N	0	3	404.536	0.601	40	10		HCCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419914	569025914	/nfs/dbraw/zinc/02/59/14/569025914.db2.gz	AOBCAHZECONZOV-WOJBJXKFSA-N	0	3	404.536	0.601	40	10		HCCBHN
COCCN1C(=O)CO[C@H]2CN(CC3(O)CCN(c4ccc(OC)cc4)CC3)C[C@@H]21	ZINC000585282486	559119995	/nfs/dbraw/zinc/11/99/95/559119995.db2.gz	DYPPIBFIBQLPCQ-PMACEKPBSA-N	0	3	419.522	0.585	40	10		HCCBHN
CNC(=O)[C@@H]1CN(CC2(O)CCN(c3ccc(OC)cc3)CC2)CCN(C(C)=O)C1	ZINC000585282861	559120397	/nfs/dbraw/zinc/12/03/97/559120397.db2.gz	IRUJHFBDLGCBNR-GOSISDBHSA-N	0	3	418.538	0.553	40	10		HCCBHN
CNC(=O)[C@H]1CN(CC2(O)CCN(c3ccc(OC)cc3)CC2)CCN(C(C)=O)C1	ZINC000585282870	559120347	/nfs/dbraw/zinc/12/03/47/559120347.db2.gz	IRUJHFBDLGCBNR-SFHVURJKSA-N	0	3	418.538	0.553	40	10		HCCBHN