smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(Cl)cc(C=O)c1[O-]	216778353	166207179	/nfs/dbraw/zinc/20/71/79/166207179.db2.gz	QSAHTSPSVHISTE-UHFFFAOYSA-N	-1	1	196.633	2.587	40	30		AFEBMM
C=CCc1cccc(Cl)c1[O-]	1576885	166208447	/nfs/dbraw/zinc/20/84/47/166208447.db2.gz	UPEBXJHGPMUFKU-UHFFFAOYSA-N	-1	1	168.623	2.774	40	30		AFEBMM
[O-]/N=C1/Cc2cccc3cccc1c23	18011449	169314569	/nfs/dbraw/zinc/31/45/69/169314569.db2.gz	YBYBQPOXHIHVOX-QBFSEMIESA-N	-1	1	183.210	2.574	40	30		AFEBMM
[O-]/N=C1\Cc2cccc3cccc1c23	100949261	169315365	/nfs/dbraw/zinc/31/53/65/169315365.db2.gz	YBYBQPOXHIHVOX-ACCUITESSA-N	-1	1	183.210	2.574	40	30		AFEBMM
[O-]/N=C\c1ccc(Cl)c(Cl)c1	4701156	169315464	/nfs/dbraw/zinc/31/54/64/169315464.db2.gz	ROBIUDOANJUDHD-WMZJFQQLSA-N	-1	1	190.029	2.802	40	30	in-vitro	AFEBMM
N#CC=C([O-])c1cccc(Cl)c1F	88121924	171133247	/nfs/dbraw/zinc/13/32/47/171133247.db2.gz	KATWYNUQOFLYGD-UHFFFAOYSA-N	-1	1	197.596	2.575	40	30		AFEBMM
Cc1cc2ccccc2c([O-])c1C#N	1596360	342950504	/nfs/dbraw/zinc/95/05/04/342950504.db2.gz	MNBIYILUYGJHFP-UHFFFAOYSA-N	-1	1	183.210	2.726	40	30		AFEBMM
Cc1ccc(O)c(/C(=N/[O-])C(C)C)c1	5541873	343004711	/nfs/dbraw/zinc/00/47/11/343004711.db2.gz	FOWQJTQVVSLNDK-VAWYXSNFSA-N	-1	1	193.246	2.535	40	30		AFEBMM
CCc1ccc(/C(Cl)=N/[O-])cc1	39381379	343211443	/nfs/dbraw/zinc/21/14/43/343211443.db2.gz	ADKBFTUDAFXGFQ-LUAWRHEFSA-N	-1	1	183.638	2.624	40	30		AFEBMM
CC(C)COc1ccccc1/C=N/[O-]	48513596	351547585	/nfs/dbraw/zinc/54/75/85/351547585.db2.gz	ZQMSJOBUEHNGFA-KPKJPENVSA-N	-1	1	193.246	2.530	40	30		AFEBMM
CCOc1ccc(Cl)cc1/C=N\[O-]	100250110	351693536	/nfs/dbraw/zinc/69/35/36/351693536.db2.gz	SZQSNXQHMPOTLI-WDZFZDKYSA-N	-1	1	199.637	2.547	40	30		AFEBMM
[O-]N=Cc1cccc(Cl)c1Cl	254624959	351847078	/nfs/dbraw/zinc/84/70/78/351847078.db2.gz	UDEADLUKAYYZNF-UHFFFAOYSA-N	-1	1	190.029	2.802	40	30		AFEBMM