smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC1=CC(=O)C=CC1=NNc1ccc(F)cc1	ZINC000005799360	342770050	/nfs/dbraw/zinc/77/00/50/342770050.db2.gz	FNUHQTNYEUOYIP-FOCLMDBBSA-N	0	1	231.230	3.529	10	10		BHCEMN
CCC(C)(C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019879789	168298793	/nfs/dbraw/zinc/29/87/93/168298793.db2.gz	UXLHUFHZATUYES-UHFFFAOYSA-N	0	1	243.350	3.824	10	10		BHCEMN
CC(C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-]	ZINC000019880537	167132446	/nfs/dbraw/zinc/13/24/46/167132446.db2.gz	GEPLFNPWHVMKCX-NSHDSACASA-N	0	1	229.323	3.604	10	10		BHCEMN
CC(C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-]	ZINC000019880539	167138503	/nfs/dbraw/zinc/13/85/03/167138503.db2.gz	GEPLFNPWHVMKCX-LLVKDONJSA-N	0	1	229.323	3.604	10	10		BHCEMN
CCC(CC)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019883819	168388322	/nfs/dbraw/zinc/38/83/22/168388322.db2.gz	MHBWRBCSPJUVGY-UHFFFAOYSA-N	0	1	243.350	3.824	10	10		BHCEMN
CCC[C@@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019902663	169370755	/nfs/dbraw/zinc/37/07/55/169370755.db2.gz	MKEQYEGXTKHKNK-GFCCVEGCSA-N	0	1	243.350	3.824	10	10		BHCEMN
CC(C)[C@@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020523310	167381560	/nfs/dbraw/zinc/38/15/60/167381560.db2.gz	YTQNSJRJBLMRAI-GFCCVEGCSA-N	0	1	243.350	3.680	10	10		BHCEMN
CC(C)[C@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020523311	187763017	/nfs/dbraw/zinc/76/30/17/187763017.db2.gz	YTQNSJRJBLMRAI-LBPRGKRZSA-N	0	1	243.350	3.680	10	10		BHCEMN
[NH3+][C@@H](c1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000032098988	372148424	/nfs/dbraw/zinc/14/84/24/372148424.db2.gz	CEXLMLKOBPBUEA-INIZCTEOSA-N	0	1	249.313	3.594	10	10		BHCEMN
[NH3+][C@H](c1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000032098989	372148439	/nfs/dbraw/zinc/14/84/39/372148439.db2.gz	CEXLMLKOBPBUEA-MRXNPFEDSA-N	0	1	249.313	3.594	10	10		BHCEMN
C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2ccccc2c1[O-]	ZINC000052270876	384725508	/nfs/dbraw/zinc/72/55/08/384725508.db2.gz	WJONNRRMYVYHDY-ZETOZRRWSA-N	0	1	241.334	3.604	10	10		BHCEMN
C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2ccccc2c1[O-]	ZINC000052270879	384724807	/nfs/dbraw/zinc/72/48/07/384724807.db2.gz	WJONNRRMYVYHDY-PGUXBMHVSA-N	0	1	241.334	3.604	10	10		BHCEMN
C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2ccccc2c1[O-]	ZINC000052270882	176907044	/nfs/dbraw/zinc/90/70/44/176907044.db2.gz	WJONNRRMYVYHDY-JRPNMDOOSA-N	0	1	241.334	3.604	10	10		BHCEMN
C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2ccccc2c1[O-]	ZINC000052270885	384725089	/nfs/dbraw/zinc/72/50/89/384725089.db2.gz	WJONNRRMYVYHDY-ZIBATOQPSA-N	0	1	241.334	3.604	10	10		BHCEMN
CCC[C@@H](C)CN(CCC)c1ccc(N)cc1	ZINC000063115884	169357423	/nfs/dbraw/zinc/35/74/23/169357423.db2.gz	FCGSFCZTDXLSHH-CYBMUJFWSA-N	0	1	234.387	3.921	10	10		BHCEMN
CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)C	ZINC000094617871	644721548	/nfs/dbraw/zinc/72/15/48/644721548.db2.gz	ORJOIKAUTVIWAC-GWCFXTLKSA-N	0	1	239.334	3.617	10	10		BHCEMN
CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)C	ZINC000094617872	644721196	/nfs/dbraw/zinc/72/11/96/644721196.db2.gz	ORJOIKAUTVIWAC-GXFFZTMASA-N	0	1	239.334	3.617	10	10		BHCEMN
CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(C)C	ZINC000094617873	644720328	/nfs/dbraw/zinc/72/03/28/644720328.db2.gz	ORJOIKAUTVIWAC-MFKMUULPSA-N	0	1	239.334	3.617	10	10		BHCEMN
CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(C)C	ZINC000094617874	644720091	/nfs/dbraw/zinc/72/00/91/644720091.db2.gz	ORJOIKAUTVIWAC-ZWNOBZJWSA-N	0	1	239.334	3.617	10	10		BHCEMN
NC1=CC(=O)C=CC1=NNc1ccc(F)cc1	ZINC000100385225	384638556	/nfs/dbraw/zinc/63/85/56/384638556.db2.gz	FNUHQTNYEUOYIP-NXVVXOECSA-N	0	1	231.230	3.529	10	10		BHCEMN
CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-]	ZINC000134909533	591958876	/nfs/dbraw/zinc/95/88/76/591958876.db2.gz	YZQHDKMJBCPXEB-ZJUUUORDSA-N	0	1	241.762	3.741	10	10		BHCEMN
CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-]	ZINC000134909556	591958730	/nfs/dbraw/zinc/95/87/30/591958730.db2.gz	YZQHDKMJBCPXEB-UWVGGRQHSA-N	0	1	241.762	3.741	10	10		BHCEMN
CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-]	ZINC000134909571	591959274	/nfs/dbraw/zinc/95/92/74/591959274.db2.gz	YZQHDKMJBCPXEB-NXEZZACHSA-N	0	1	241.762	3.741	10	10		BHCEMN
CC(C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-]	ZINC000134909591	584955270	/nfs/dbraw/zinc/95/52/70/584955270.db2.gz	YZQHDKMJBCPXEB-VHSXEESVSA-N	0	1	241.762	3.741	10	10		BHCEMN
NC1=CC(=O)C=CC1=NNc1ccc(F)cc1	ZINC000257351504	345773516	/nfs/dbraw/zinc/77/35/16/345773516.db2.gz	FNUHQTNYEUOYIP-UHFFFAOYSA-N	0	1	231.230	3.529	10	10		BHCEMN
CCCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1[O-]	ZINC000310341089	632722830	/nfs/dbraw/zinc/72/28/30/632722830.db2.gz	DVOUTLXZKMSUHX-LLVKDONJSA-N	0	1	239.334	3.542	10	10		BHCEMN
CCCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1[O-]	ZINC000310341090	632722734	/nfs/dbraw/zinc/72/27/34/632722734.db2.gz	DVOUTLXZKMSUHX-NSHDSACASA-N	0	1	239.334	3.542	10	10		BHCEMN
CCCCN(c1ccncc1)c1ccc(N)cc1	ZINC000584614900	358279230	/nfs/dbraw/zinc/27/92/30/358279230.db2.gz	PWSCQHLXVLXFNR-UHFFFAOYSA-N	0	1	241.338	3.602	10	10		BHCEMN