smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccc(N)cc1)Cc1ccc(Cl)cc1Cl	ZINC000035360426	172151834	/nfs/dbraw/zinc/15/18/34/172151834.db2.gz	DTUOFEVJKMJIHW-UHFFFAOYSA-N	1	1	295.213	4.208	10	10		CICEMO
C[N@@H+](Cc1ccc(N)cc1)Cc1ccc(Cl)cc1Cl	ZINC000035360426	172151835	/nfs/dbraw/zinc/15/18/35/172151835.db2.gz	DTUOFEVJKMJIHW-UHFFFAOYSA-N	1	1	295.213	4.208	10	10		CICEMO
CSc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000164968824	331305399	/nfs/dbraw/zinc/30/53/99/331305399.db2.gz	CZYJHPVUGXKPJS-NSHDSACASA-N	1	1	291.391	4.104	10	10		CICEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccs1	ZINC000062745248	525608617	/nfs/dbraw/zinc/60/86/17/525608617.db2.gz	YBHJHSHAJNUUDD-VHSXEESVSA-N	1	1	265.353	4.005	10	10		CICEMO
CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747009	523063083	/nfs/dbraw/zinc/06/30/83/523063083.db2.gz	DMOLHBSBBCTYOT-SLEUVZQESA-N	1	1	265.372	4.151	10	10		CICEMO
C[C@@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1O	ZINC000062744809	525400032	/nfs/dbraw/zinc/40/00/32/525400032.db2.gz	LWBNUHATLVKXQY-GFCCVEGCSA-N	1	1	265.372	4.295	10	10		CICEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1	ZINC000062746271	525608166	/nfs/dbraw/zinc/60/81/66/525608166.db2.gz	JNJOBVHUUKICEJ-ZJUUUORDSA-N	1	1	295.304	4.221	10	10		CICEMO
C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H](C)C1	ZINC000005735717	170135288	/nfs/dbraw/zinc/13/52/88/170135288.db2.gz	UUUCDNVNAZOHPC-ZIAGYGMSSA-N	1	1	269.388	4.166	10	10		CICEMO
CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747008	523223761	/nfs/dbraw/zinc/22/37/61/523223761.db2.gz	DMOLHBSBBCTYOT-YWPYICTPSA-N	1	1	265.372	4.151	10	10		CICEMO
CC(C)[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1	ZINC000164961174	331305531	/nfs/dbraw/zinc/30/55/31/331305531.db2.gz	FAWHSCPXUTUTGJ-INIZCTEOSA-N	1	1	273.351	4.018	10	10		CICEMO
CSc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000164968969	331305543	/nfs/dbraw/zinc/30/55/43/331305543.db2.gz	CZYJHPVUGXKPJS-LLVKDONJSA-N	1	1	291.391	4.104	10	10		CICEMO
CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747007	523044978	/nfs/dbraw/zinc/04/49/78/523044978.db2.gz	DMOLHBSBBCTYOT-HUBLWGQQSA-N	1	1	265.372	4.151	10	10		CICEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cc1O	ZINC000062746272	525606364	/nfs/dbraw/zinc/60/63/64/525606364.db2.gz	JNJOBVHUUKICEJ-VHSXEESVSA-N	1	1	295.304	4.221	10	10		CICEMO
C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccs1	ZINC000062745249	525660448	/nfs/dbraw/zinc/66/04/48/525660448.db2.gz	YBHJHSHAJNUUDD-NXEZZACHSA-N	1	1	265.353	4.005	10	10		CICEMO
C[C@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1O	ZINC000062744808	525292777	/nfs/dbraw/zinc/29/27/77/525292777.db2.gz	LWBNUHATLVKXQY-LBPRGKRZSA-N	1	1	265.372	4.295	10	10		CICEMO
Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062745029	525416424	/nfs/dbraw/zinc/41/64/24/525416424.db2.gz	IGRGSZCSTHZRDD-STQMWFEESA-N	1	1	273.351	4.252	10	10		CICEMO
C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)cc1O	ZINC000062745247	525616551	/nfs/dbraw/zinc/61/65/51/525616551.db2.gz	YBHJHSHAJNUUDD-ZJUUUORDSA-N	1	1	265.353	4.005	10	10		CICEMO
C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1	ZINC000062746273	525660660	/nfs/dbraw/zinc/66/06/60/525660660.db2.gz	JNJOBVHUUKICEJ-NXEZZACHSA-N	1	1	295.304	4.221	10	10		CICEMO
CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21	ZINC000005835103	170145531	/nfs/dbraw/zinc/14/55/31/170145531.db2.gz	KOSPQEBOSIYFKE-UHFFFAOYSA-N	1	1	281.315	4.118	10	10		CICEMO
Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O	ZINC000062745031	525417631	/nfs/dbraw/zinc/41/76/31/525417631.db2.gz	IGRGSZCSTHZRDD-QWHCGFSZSA-N	1	1	273.351	4.252	10	10		CICEMO
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1	ZINC000062746270	525530373	/nfs/dbraw/zinc/53/03/73/525530373.db2.gz	JNJOBVHUUKICEJ-UWVGGRQHSA-N	1	1	295.304	4.221	10	10		CICEMO
CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747006	523200768	/nfs/dbraw/zinc/20/07/68/523200768.db2.gz	DMOLHBSBBCTYOT-ZOWXZIJZSA-N	1	1	265.372	4.151	10	10		CICEMO
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccs1	ZINC000062745246	525531697	/nfs/dbraw/zinc/53/16/97/525531697.db2.gz	YBHJHSHAJNUUDD-UWVGGRQHSA-N	1	1	265.353	4.005	10	10		CICEMO
CC(C)[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1	ZINC000164961286	331305529	/nfs/dbraw/zinc/30/55/29/331305529.db2.gz	FAWHSCPXUTUTGJ-MRXNPFEDSA-N	1	1	273.351	4.018	10	10		CICEMO