smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1=C[C@H]2c3cccc4c3N(C[C@H]2C1)C[C@H]1CC=C[C@H]41	ZINC000004004545	132316103	/nfs/dbraw/zinc/31/61/03/132316103.db2.gz	IEFXFGCWVIALAY-TUVASFSCSA-N	0	0	249.357	3.840	1	10		BHCFRN
C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)C[C@H]1CC=C[C@H]41	ZINC000004004546	132316026	/nfs/dbraw/zinc/31/60/26/132316026.db2.gz	IEFXFGCWVIALAY-KBXIAJHMSA-N	0	0	249.357	3.840	1	10		BHCFRN
C1=C[C@H]2c3cccc4c3N(C[C@@H]2C1)C[C@H]1CC=C[C@H]41	ZINC000004004547	132316000	/nfs/dbraw/zinc/31/60/00/132316000.db2.gz	IEFXFGCWVIALAY-PYHGIMPFSA-N	0	0	249.357	3.840	1	10		BHCFRN
COc1ccc(N(CC(C)C)CC(C)C)cc1	ZINC000005284544	175137171	/nfs/dbraw/zinc/13/71/71/175137171.db2.gz	LEWUERBZYJDAME-UHFFFAOYSA-N	0	0	235.371	3.814	1	10		BHCFRN
Nc1ccc(Nc2coc3ccccc23)cc1	ZINC000005590137	181720413	/nfs/dbraw/zinc/72/04/13/181720413.db2.gz	BSABOCDPMAQHNK-UHFFFAOYSA-N	0	0	224.263	3.759	1	10		BHCFRN
Cc1cc2c3c(c(O)c(O)c(C(C)C)c3c1)CO2	ZINC000006070461	178293341	/nfs/dbraw/zinc/29/33/41/178293341.db2.gz	UACUHHDLYFQIDS-UHFFFAOYSA-N	0	0	244.290	3.575	1	10	in-vitro	BHCFRN
CC(C)CC(=O)N=NC1c2ccccc2NC1=O	ZINC000013121690	188105874	/nfs/dbraw/zinc/10/58/74/188105874.db2.gz	VEGYXMJZJZDVSD-FOCLMDBBSA-N	0	0	245.282	3.530	1	10		BHCFRN
CC(C)=C/C=C/[C@H](C)c1ccc(C=O)c(O)c1O	ZINC000014444341	188105723	/nfs/dbraw/zinc/10/57/23/188105723.db2.gz	HYIQPOJSOSXRKS-MALLOTDXSA-N	0	0	246.306	3.536	1	10		BHCFRN
Oc1cc2c(cc1O)[C@H](c1ccccc1)CCC2	ZINC000028896227	183263179	/nfs/dbraw/zinc/26/31/79/183263179.db2.gz	GGJZWFCGEBLWPC-ZDUSSCGKSA-N	0	0	240.302	3.566	1	10		BHCFRN
Oc1cc2c(cc1O)[C@@H](c1ccccc1)CCC2	ZINC000028896231	183263163	/nfs/dbraw/zinc/26/31/63/183263163.db2.gz	GGJZWFCGEBLWPC-CYBMUJFWSA-N	0	0	240.302	3.566	1	10		BHCFRN
Clc1ccc(/N=N/C=C/N2CCCC2)cc1	ZINC000040834602	180578220	/nfs/dbraw/zinc/57/82/20/180578220.db2.gz	PNDKEDFXJJMJSW-YFLNMOBYSA-N	0	0	235.718	3.991	1	10		BHCFRN
CN1C=C(/N=N/c2ccccc2Cl)CCC1	ZINC000040846065	172973872	/nfs/dbraw/zinc/97/38/72/172973872.db2.gz	IWUZFXUNYVIEIJ-CCEZHUSRSA-N	0	0	235.718	3.991	1	10		BHCFRN
CN1CCC/C1=C\N=N\c1ccc(Cl)cc1	ZINC000040917989	173002229	/nfs/dbraw/zinc/00/22/29/173002229.db2.gz	WSQMLQPKUNXFOL-HFCGUZMISA-N	0	0	235.718	3.991	1	10		BHCFRN
Cc1ccc(/N=N/C=C2\CCCN2C)cc1	ZINC000040918394	178360292	/nfs/dbraw/zinc/36/02/92/178360292.db2.gz	ZMPDRXJGDMAOBH-HFEXRDJISA-N	0	0	215.300	3.646	1	10		BHCFRN
C(=C/N1CCCCC1)\N=N\c1ccccc1	ZINC000040949788	166226077	/nfs/dbraw/zinc/22/60/77/166226077.db2.gz	QCTAPCFYNIBCTP-HFCGUZMISA-N	0	0	215.300	3.727	1	10		BHCFRN
FC(F)(F)c1cccc(/N=N/N2CCCC2)c1	ZINC000045285177	180894842	/nfs/dbraw/zinc/89/48/42/180894842.db2.gz	KAVAPZNDZDAMSP-FOCLMDBBSA-N	0	0	243.232	3.800	1	10		BHCFRN
Oc1ccc2cc(-c3ccccc3)ccc2c1O	ZINC000053313097	183284985	/nfs/dbraw/zinc/28/49/85/183284985.db2.gz	JNTBBQCCUUPQRG-UHFFFAOYSA-N	0	0	236.270	3.918	1	10		BHCFRN
Oc1ccc(CCc2ccc(Cl)cc2)cc1O	ZINC000064436365	183269562	/nfs/dbraw/zinc/26/95/62/183269562.db2.gz	SJYIDEAYMRNXEP-UHFFFAOYSA-N	0	0	248.709	3.536	1	10		BHCFRN
Oc1ccc(CCc2cccc(Cl)c2)cc1O	ZINC000064454466	183268963	/nfs/dbraw/zinc/26/89/63/183268963.db2.gz	UXRIXFDGGMTBAQ-UHFFFAOYSA-N	0	0	248.709	3.536	1	10		BHCFRN
Cc1ccc(/N=N/C2=CN(C)CCC2)cc1	ZINC000084893282	178359669	/nfs/dbraw/zinc/35/96/69/178359669.db2.gz	MYDRABDTGIDAOE-CCEZHUSRSA-N	0	0	215.300	3.646	1	10		BHCFRN
CN(/N=N\c1ccccc1)c1ccccc1	ZINC000100985256	172292213	/nfs/dbraw/zinc/29/22/13/172292213.db2.gz	IAFUNKUIRCNAQX-PFONDFGASA-N	0	0	211.268	3.822	1	10		BHCFRN
COc1ccccc1/N=N\c1c(C)noc1C	ZINC000102397845	175315842	/nfs/dbraw/zinc/31/58/42/175315842.db2.gz	LGQVBDFWRLUZET-YPKPFQOOSA-N	0	0	231.255	3.715	1	10		BHCFRN
CC(C)CC(=O)N=NC1c2ccccc2NC1=O	ZINC000102534717	188505019	/nfs/dbraw/zinc/50/50/19/188505019.db2.gz	VEGYXMJZJZDVSD-NXVVXOECSA-N	0	0	245.282	3.530	1	10		BHCFRN
O=C1C=CC(=NNc2ccccc2[N+](=O)[O-])C=C1	ZINC000102888778	182949685	/nfs/dbraw/zinc/94/96/85/182949685.db2.gz	IBDIGFWTFKXXAG-YPKPFQOOSA-N	0	0	243.222	3.716	1	10		BHCFRN
CC(C)=CCCC1=CCc2ccc(O)c(O)c2C1	ZINC000103237222	188150607	/nfs/dbraw/zinc/15/06/07/188150607.db2.gz	DDJWMDWLSCIKAS-UHFFFAOYSA-N	0	0	244.334	3.869	1	10		BHCFRN
CN(C)c1ccc(/C=C2\C=CC=CC2)cc1	ZINC000205424618	368404201	/nfs/dbraw/zinc/40/42/01/368404201.db2.gz	UQXQSPISQLMNGV-OUKQBFOZSA-N	0	0	211.308	3.652	2	10		BHCFRN