smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cccc(S)c1	32176002	325598435	/nfs/dbraw/zinc/59/84/35/325598435.db2.gz	AELUMDDQRLJQRX-UHFFFAOYSA-N	0	1	152.262	3.099	40	0		AGABMN
CCCCCSCN(CC)CC	1568275	342947900	/nfs/dbraw/zinc/94/79/00/342947900.db2.gz	UCXMZUZWQRGARC-UHFFFAOYSA-N	0	1	189.368	3.209	40	0		AGABMN
CCc1cc(Cl)c(O)c(Cl)c1	1600061	342950783	/nfs/dbraw/zinc/95/07/83/342950783.db2.gz	YOZUFBIHVJFQBS-UHFFFAOYSA-N	0	1	191.057	3.261	40	0		AGABMN
CCCCCCN1[C@@H](C(C)C)[C@H]1C	1683032	342958028	/nfs/dbraw/zinc/95/80/28/342958028.db2.gz	LIIFEIKAUYZGJL-OJRHAOMCSA-N	0	1	183.339	3.295	40	0		AGABMN
CCCCCCN1[C@@H](C)[C@@H]1C(C)C	5104121	342998563	/nfs/dbraw/zinc/99/85/63/342998563.db2.gz	LIIFEIKAUYZGJL-VYAYZGMFSA-N	0	1	183.339	3.295	40	0		AGABMN
Cc1ccc2nc(CC(C)C)[nH]c2c1	5818385	343008633	/nfs/dbraw/zinc/00/86/33/343008633.db2.gz	BVJZVXJSRWEZED-UHFFFAOYSA-N	0	1	188.274	3.070	40	0		AGABMN
CCCCc1nc2ccc(C)cc2[nH]1	13212647	343033649	/nfs/dbraw/zinc/03/36/49/343033649.db2.gz	PKWBIPJGJPPPOB-UHFFFAOYSA-N	0	1	188.274	3.214	40	0		AGABMN
CC(C)Cc1ccc(S)cc1	20431094	343073276	/nfs/dbraw/zinc/07/32/76/343073276.db2.gz	DKGGRHVKKQWAPT-UHFFFAOYSA-N	0	1	166.289	3.174	40	0		AGABMN
Cc1ccc2ccccc2c1S	60220959	343352039	/nfs/dbraw/zinc/35/20/39/343352039.db2.gz	SPHFCVIKFFAFLR-UHFFFAOYSA-N	0	1	174.268	3.437	40	0		AGABMN
CC1CC(c2cc(C(C)(C)C)[nH]n2)C1	242522203	344825089	/nfs/dbraw/zinc/82/50/89/344825089.db2.gz	ILYRPSSMEYYFBZ-UHFFFAOYSA-N	0	1	192.306	3.221	40	0		AGABMN
c1ccc(-c2cc3c[nH]ccc-3n2)cc1	34497627	351441413	/nfs/dbraw/zinc/44/14/13/351441413.db2.gz	COOUBAOIGZXDFV-UHFFFAOYSA-N	0	1	194.237	3.230	40	0		AGABMN
c1ccc(-c2ccc3nc[nH]c3c2)cc1	80350517	351631345	/nfs/dbraw/zinc/63/13/45/351631345.db2.gz	FRENWXHQIOTWRD-UHFFFAOYSA-N	0	1	194.237	3.230	40	0		AGABMN
c1ccc(-c2cc(C3CCC3)n[nH]2)cc1	242390327	351827102	/nfs/dbraw/zinc/82/71/02/351827102.db2.gz	AKYAZOCUBQDJBY-UHFFFAOYSA-N	0	1	198.269	3.344	40	0		AGABMN
Oc1cc(Cl)cc(F)c1C(F)F	575629534	352868789	/nfs/dbraw/zinc/86/87/89/352868789.db2.gz	ZUEMHBZXMVNNRE-UHFFFAOYSA-N	0	1	196.555	3.122	40	0		AGABMN
Oc1ccc(Cl)c(F)c1C(F)F	575629396	352868991	/nfs/dbraw/zinc/86/89/91/352868991.db2.gz	VNGSVVLNYCVESP-UHFFFAOYSA-N	0	1	196.555	3.122	40	0		AGABMN
Cc1cccc2nc(CC(C)C)[nH]c12	70234929	375332723	/nfs/dbraw/zinc/33/27/23/375332723.db2.gz	VSQXQIRKVMGZTK-UHFFFAOYSA-N	0	1	188.274	3.070	40	0		AGABMN