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=O)=C([O-])c1ccc(F)cc1	224989660	571674377	/nfs/dbraw/zinc/67/43/77/571674377.db2.gz	OEWZUWIONIMMAS-VOTSOKGWSA-N	-1	1	180.178	2.470	20	30		AEEDMM
CC(=C[O-])C(=O)c1ccc(F)cc1	224989660	571674382	/nfs/dbraw/zinc/67/43/82/571674382.db2.gz	OEWZUWIONIMMAS-VOTSOKGWSA-N	-1	1	180.178	2.470	20	30		AEEDMM
C=CC[C@@H](CC)[N-]C(=O)C(F)(F)F	306388160	572615911	/nfs/dbraw/zinc/61/59/11/572615911.db2.gz	UXUMRBFNSUDCOB-ZCFIWIBFSA-N	-1	1	195.184	2.020	20	30		AEEDMM
C=CC[C@H](CC)[N-]C(=O)C(F)(F)F	306388157	572618169	/nfs/dbraw/zinc/61/81/69/572618169.db2.gz	UXUMRBFNSUDCOB-LURJTMIESA-N	-1	1	195.184	2.020	20	30		AEEDMM
CCON=C(C)c1ccc(F)cc1[O-]	727777240	582532585	/nfs/dbraw/zinc/53/25/85/582532585.db2.gz	MEKXYAXKINKBEQ-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
CCON=C(C)c1ccc([O-])c(F)c1	728426109	582538167	/nfs/dbraw/zinc/53/81/67/582538167.db2.gz	VAMIWSZZWZKFRH-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
CCCON=Cc1ccc([O-])c(F)c1	842554423	582687744	/nfs/dbraw/zinc/68/77/44/582687744.db2.gz	PVVMNJFLQFZBKY-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
CCC(=NOC)c1ccc([O-])c(F)c1	764684260	582824135	/nfs/dbraw/zinc/82/41/35/582824135.db2.gz	OQHQBNUDNATKHA-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
C=CC(C)(C)C(=O)[N-]OC[C@H](C)CC	832732483	583079588	/nfs/dbraw/zinc/07/95/88/583079588.db2.gz	IHGFSQDEEJCVHZ-SECBINFHSA-N	-1	1	199.294	2.293	20	30		AEEDMM
C=CC(C)(C)C(=O)[N-]OC[C@@H](C)CC	832732484	583079949	/nfs/dbraw/zinc/07/99/49/583079949.db2.gz	IHGFSQDEEJCVHZ-VIFPVBQESA-N	-1	1	199.294	2.293	20	30		AEEDMM
C=CC(C)(C)C(=O)[N-]OCCC1CC1	832845196	583080650	/nfs/dbraw/zinc/08/06/50/583080650.db2.gz	HRXNHLSZEKTCCW-UHFFFAOYSA-N	-1	1	197.278	2.047	20	30		AEEDMM
CC(C)ON=Cc1cccc(F)c1[O-]	835000817	583090602	/nfs/dbraw/zinc/09/06/02/583090602.db2.gz	ROXPHPRSELVKCR-UHFFFAOYSA-N	-1	1	197.209	2.290	20	30		AEEDMM
CC(C)ON=Cc1ccc([O-])c(F)c1	835003407	583091555	/nfs/dbraw/zinc/09/15/55/583091555.db2.gz	SSTZYJVUKZYUNL-UHFFFAOYSA-N	-1	1	197.209	2.290	20	30		AEEDMM
CCCON=Cc1cccc(F)c1[O-]	842553912	583127076	/nfs/dbraw/zinc/12/70/76/583127076.db2.gz	MOPJUSBRITYPCJ-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
C=CC(C)(C)C(=O)[N-]OCC1CCC1	856351541	583257012	/nfs/dbraw/zinc/25/70/12/583257012.db2.gz	IAPOQDSPZKLEDW-UHFFFAOYSA-N	-1	1	197.278	2.047	20	30		AEEDMM
CCON=C(C)c1c([O-])cccc1F	884410173	583476658	/nfs/dbraw/zinc/47/66/58/583476658.db2.gz	BQJSBXXVIRTABD-UHFFFAOYSA-N	-1	1	197.209	2.292	20	30		AEEDMM
N#Cc1cc(-c2ccccn2)ccc1[O-]	135520875	343964977	/nfs/dbraw/zinc/96/49/77/343964977.db2.gz	RRFGEROVYJFZDN-UHFFFAOYSA-N	-1	1	196.209	2.326	20	30		AEEDMM
CCON=Cc1ccc([O-])c(Cl)c1	308289609	346282993	/nfs/dbraw/zinc/28/29/93/346282993.db2.gz	CVVVKNSTRYDION-UHFFFAOYSA-N	-1	1	199.637	2.416	20	30		AEEDMM
C=C(C)CSc1ncc(C)c(=O)[n-]1	657261296	409463666	/nfs/dbraw/zinc/46/36/66/409463666.db2.gz	DYMVCDATTMGAIQ-UHFFFAOYSA-N	-1	1	196.275	2.159	20	30		AEEDMM
C=CCCSc1ncc(C)c(=O)[n-]1	657261768	409464280	/nfs/dbraw/zinc/46/42/80/409464280.db2.gz	QXGURYJUFBRCKI-UHFFFAOYSA-N	-1	1	196.275	2.159	20	30		AEEDMM
CON=C(C)c1ccc([O-])c(Cl)c1	308383447	629861460	/nfs/dbraw/zinc/86/14/60/629861460.db2.gz	VRVAISINLUKPNW-UHFFFAOYSA-N	-1	1	199.637	2.416	20	30		AEEDMM
[O-]/N=C/c1cccc(OC2CC2)c1F	307342079	527589530	/nfs/dbraw/zinc/58/95/30/527589530.db2.gz	KBYDIMMEHZNASO-WUXMJOGZSA-N	-1	1	195.193	2.175	20	30		AEEDMM