smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(CN(C)CCn2cc(C(=O)N3CCCCC3)nn2)c1O	ZINC000011910301	204360533	/nfs/dbraw/zinc/36/05/33/204360533.db2.gz	PNUAUFNNXKUEGR-UHFFFAOYSA-N	0	3	387.484	2.141	10	10		GECEHN
COc1cccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1O	ZINC000012042657	204368756	/nfs/dbraw/zinc/36/87/56/204368756.db2.gz	PWSCMDLEAHQNTC-UHFFFAOYSA-N	0	3	387.484	2.215	10	10		GECEHN
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1C[C@@H](C)O	ZINC000120692201	643622865	/nfs/dbraw/zinc/62/28/65/643622865.db2.gz	NWTZAYFUWYUFLY-DOMZBBRYSA-N	0	3	387.318	2.440	10	10		GECEHN
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1C[C@H](C)O	ZINC000245751277	645467624	/nfs/dbraw/zinc/46/76/24/645467624.db2.gz	NWTZAYFUWYUFLY-SWLSCSKDSA-N	0	3	387.318	2.440	10	10		GECEHN
COc1cccc(C[NH2+]CCn2cc(C(=O)Nc3ccccc3C)nn2)c1[O-]	ZINC000011782232	204352762	/nfs/dbraw/zinc/35/27/62/204352762.db2.gz	ZIRJZEXEADWETN-UHFFFAOYSA-N	0	3	381.436	2.343	10	10		GECEHN
CN1CCN(c2ccc(CNC(=O)c3[nH]ncc3-c3cccc(O)c3)cc2)CC1	ZINC000114914271	536421341	/nfs/dbraw/zinc/42/13/41/536421341.db2.gz	KOSOLQBEGHIVGZ-UHFFFAOYSA-N	0	3	391.475	2.464	10	10		GECEHN
COc1cc(Br)cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000180225707	532262205	/nfs/dbraw/zinc/26/22/05/532262205.db2.gz	JZVIHHBOVWSCNI-DOMZBBRYSA-N	0	3	385.302	2.316	10	10		GECEHN
COc1cc(Br)cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732020	532523982	/nfs/dbraw/zinc/52/39/82/532523982.db2.gz	JZVIHHBOVWSCNI-IUODEOHRSA-N	0	3	385.302	2.316	10	10		GECEHN
C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C(N)=O)O1	ZINC000120246115	643596723	/nfs/dbraw/zinc/59/67/23/643596723.db2.gz	OXHMOXDGXQCQRX-QLJPJBMISA-N	0	3	379.254	2.383	10	10		GECEHN
C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C(N)=O)O1	ZINC000120246115	643596730	/nfs/dbraw/zinc/59/67/30/643596730.db2.gz	OXHMOXDGXQCQRX-QLJPJBMISA-N	0	3	379.254	2.383	10	10		GECEHN
C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C(N)=O)O1	ZINC000120246115	643596731	/nfs/dbraw/zinc/59/67/31/643596731.db2.gz	OXHMOXDGXQCQRX-QLJPJBMISA-N	0	3	379.254	2.383	10	10		GECEHN
COc1cc(Br)cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000180225726	532261754	/nfs/dbraw/zinc/26/17/54/532261754.db2.gz	JZVIHHBOVWSCNI-WFASDCNBSA-N	0	3	385.302	2.316	10	10		GECEHN
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1C[C@H](C)O	ZINC000245751279	645467610	/nfs/dbraw/zinc/46/76/10/645467610.db2.gz	NWTZAYFUWYUFLY-WFASDCNBSA-N	0	3	387.318	2.440	10	10		GECEHN
C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@@H](C(N)=O)O1	ZINC000120246290	643596638	/nfs/dbraw/zinc/59/66/38/643596638.db2.gz	OXHMOXDGXQCQRX-HWPZZCPQSA-N	0	3	379.254	2.383	10	10		GECEHN
C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C(N)=O)O1	ZINC000120246290	643596641	/nfs/dbraw/zinc/59/66/41/643596641.db2.gz	OXHMOXDGXQCQRX-HWPZZCPQSA-N	0	3	379.254	2.383	10	10		GECEHN
C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C(N)=O)O1	ZINC000120246290	643596647	/nfs/dbraw/zinc/59/66/47/643596647.db2.gz	OXHMOXDGXQCQRX-HWPZZCPQSA-N	0	3	379.254	2.383	10	10		GECEHN
COc1cc(Br)cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732022	532523102	/nfs/dbraw/zinc/52/31/02/532523102.db2.gz	JZVIHHBOVWSCNI-SWLSCSKDSA-N	0	3	385.302	2.316	10	10		GECEHN
COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c([O-])c1	ZINC000012040177	221145101	/nfs/dbraw/zinc/14/51/01/221145101.db2.gz	VAKWYBNYXCGFAS-INIZCTEOSA-N	0	3	387.484	2.215	10	10		GECEHN
COc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c([O-])c1	ZINC000012040177	221145104	/nfs/dbraw/zinc/14/51/04/221145104.db2.gz	VAKWYBNYXCGFAS-INIZCTEOSA-N	0	3	387.484	2.215	10	10		GECEHN
COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c([O-])c1	ZINC000012040172	221144968	/nfs/dbraw/zinc/14/49/68/221144968.db2.gz	VAKWYBNYXCGFAS-MRXNPFEDSA-N	0	3	387.484	2.215	10	10		GECEHN
COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c([O-])c1	ZINC000012040172	221144969	/nfs/dbraw/zinc/14/49/69/221144969.db2.gz	VAKWYBNYXCGFAS-MRXNPFEDSA-N	0	3	387.484	2.215	10	10		GECEHN
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1C[C@@H](C)O	ZINC000120692051	643622804	/nfs/dbraw/zinc/62/28/04/643622804.db2.gz	NWTZAYFUWYUFLY-IUODEOHRSA-N	0	3	387.318	2.440	10	10		GECEHN