smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O	ZINC000036423264	202326552	/nfs/dbraw/zinc/32/65/52/202326552.db2.gz	HEHRHFZNTLUWNP-LLVKDONJSA-N	1	2	345.311	-0.740	1	0		EBAFLO
[O-][n+]1nc(NCCC[NH+]2CCOCC2)[n+]([O-])c2cc3c(cc21)OCC3	ZINC000101637924	204016602	/nfs/dbraw/zinc/01/66/02/204016602.db2.gz	BIZNWOUJFVYTEB-UHFFFAOYSA-N	1	2	347.375	-0.429	1	0		EBAFLO
CSc1c(C(N)=O)c2c(nc[nH+]c2N)n1COC(CO)CO	ZINC000005929317	201361702	/nfs/dbraw/zinc/36/17/02/201361702.db2.gz	JMVZSBHVPKVTLV-UHFFFAOYSA-N	1	2	327.366	-0.838	1	0		EBAFLO
Cn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3CCOCC3)ccc2c1=O	ZINC000028642550	202174457	/nfs/dbraw/zinc/17/44/57/202174457.db2.gz	PGTVSRPFBPXCHE-UHFFFAOYSA-N	1	2	332.360	-0.711	1	0		EBAFLO
[NH3+][C@H]1NC(=O)C(=C2CCNC(=O)c3[nH]cc(Br)c32)N1	ZINC000101693016	204019728	/nfs/dbraw/zinc/01/97/28/204019728.db2.gz	IMEGXEIERXOCFE-TZOMUSMUSA-N	1	2	326.154	-0.417	1	0		EBAFLO
CC[NH2+][C@H]1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000003800623	210075729	/nfs/dbraw/zinc/07/57/29/210075729.db2.gz	GJDXMGTZKOMXRY-ZETCQYMHSA-N	1	2	325.437	-0.320	1	0		EBAFLO
Nc1[nH+]cnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004822464	210287868	/nfs/dbraw/zinc/28/78/68/210287868.db2.gz	ZWTPRQXZXQEKFT-TXRROPDSSA-N	1	2	345.153	-0.613	1	0		EBAFLO
CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CC[NH+](C)CC2)C1	ZINC000005068113	210382079	/nfs/dbraw/zinc/38/20/79/210382079.db2.gz	NVCRZKDNBVONIF-GFCCVEGCSA-N	1	2	335.404	-0.186	3	0		EBAFLO
COC(=O)[C@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](OC)O[C@H](CO)C1	ZINC000072180480	216066550	/nfs/dbraw/zinc/06/65/50/216066550.db2.gz	VUPPZBNLVMSGCW-MPTYRVRUSA-N	1	2	339.388	-0.203	1	0		EBAFLO
COC(=O)[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](OC)O[C@H](CO)C1	ZINC000072180480	216066553	/nfs/dbraw/zinc/06/65/53/216066553.db2.gz	VUPPZBNLVMSGCW-MPTYRVRUSA-N	1	2	339.388	-0.203	1	0		EBAFLO
Cc1[nH+]c[nH]c1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077285840	302688081	/nfs/dbraw/zinc/68/80/81/302688081.db2.gz	ZWACJWKSWJPFKI-KGLIPLIRSA-N	1	2	338.433	-0.062	1	0		EBAFLO
[NH3+]CC(=O)OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O	ZINC000036423265	213098281	/nfs/dbraw/zinc/09/82/81/213098281.db2.gz	HEHRHFZNTLUWNP-NSHDSACASA-N	1	2	345.311	-0.740	1	0		EBAFLO
CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2N2CC[NH+](C)CC2)C1	ZINC000005068119	210381534	/nfs/dbraw/zinc/38/15/34/210381534.db2.gz	NVCRZKDNBVONIF-LBPRGKRZSA-N	1	2	335.404	-0.186	3	0		EBAFLO
[NH3+][C@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000095617805	571796628	/nfs/dbraw/zinc/79/66/28/571796628.db2.gz	FNGTUNXVLUYBPN-NEPJUHHUSA-N	1	2	332.360	-0.127	1	0	endogenous,in-man	EBAFLO
Cn1c(SCC[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000019289668	212011648	/nfs/dbraw/zinc/01/16/48/212011648.db2.gz	XMNXQDVUEXECOD-UHFFFAOYSA-N	1	2	339.421	-0.605	3	0		EBAFLO
[NH3+][C@@H]1NC(=O)C(=C2CCNC(=O)c3[nH]cc(Br)c32)N1	ZINC000101693019	219156988	/nfs/dbraw/zinc/15/69/88/219156988.db2.gz	IMEGXEIERXOCFE-ZPMKCOPCSA-N	1	2	326.154	-0.417	1	0		EBAFLO
COC(=O)[C@@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](OC)O[C@H](CO)C1	ZINC000072180481	216066619	/nfs/dbraw/zinc/06/66/19/216066619.db2.gz	VUPPZBNLVMSGCW-HWMZRRJGSA-N	1	2	339.388	-0.203	1	0		EBAFLO
COC(=O)[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](OC)O[C@H](CO)C1	ZINC000072180481	216066621	/nfs/dbraw/zinc/06/66/21/216066621.db2.gz	VUPPZBNLVMSGCW-HWMZRRJGSA-N	1	2	339.388	-0.203	1	0		EBAFLO
[NH3+][C@H](CCC(=O)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000095617806	571796717	/nfs/dbraw/zinc/79/67/17/571796717.db2.gz	FNGTUNXVLUYBPN-VXGBXAGGSA-N	1	2	332.360	-0.127	1	0	endogenous,in-man	EBAFLO
[O-][n+]1nc(NCCC[NH+]2CCOCC2)[n+]([O-])c2cc3c(cc21)CCO3	ZINC000101635092	219149761	/nfs/dbraw/zinc/14/97/61/219149761.db2.gz	OTYGBTMNMZVDKR-UHFFFAOYSA-N	1	2	347.375	-0.429	1	0		EBAFLO
COc1ccc2c(c1)[n+]([O-])c(NCCC[NH+]1CCOCC1)n[n+]2[O-]	ZINC000101100589	219116522	/nfs/dbraw/zinc/11/65/22/219116522.db2.gz	CNXBCFXTGWTIQO-UHFFFAOYSA-N	1	2	335.364	-0.356	1	0		EBAFLO
CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CC[NH+](C)CC2)CC1	ZINC000005068791	210381071	/nfs/dbraw/zinc/38/10/71/210381071.db2.gz	PYRRPHVZZYAGNV-UHFFFAOYSA-N	1	2	336.392	-0.687	1	0		EBAFLO
[NH3+][C@@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013514845	571703092	/nfs/dbraw/zinc/70/30/92/571703092.db2.gz	FNGTUNXVLUYBPN-RYUDHWBXSA-N	1	2	332.360	-0.127	1	0	endogenous,in-man	EBAFLO
[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617804	574417033	/nfs/dbraw/zinc/41/70/33/574417033.db2.gz	FNGTUNXVLUYBPN-NWDGAFQWSA-N	1	2	332.360	-0.127	1	0	endogenous,in-man	EBAFLO