smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(Nc1ccccc1Cl)c1ccccc1N	ZINC000005582954	181182578	/nfs/dbraw/zinc/18/25/78/181182578.db2.gz	RKFUZQOEPWRSIA-UHFFFAOYSA-N	0	1	245.713	2.959	1	30		BFEFMN
Cc1ccc(/C=C/C(=O)c2ccc(N)cc2O)o1	ZINC000096914989	178354799	/nfs/dbraw/zinc/35/47/99/178354799.db2.gz	UKYOOYLCOXSMOV-FNORWQNLSA-N	0	1	243.262	2.772	1	30		BFEFMN
C#CC[C@H]1C[N@H+](C)CCc2cc(Cl)c([O-])cc21	ZINC000027317406	187207449	/nfs/dbraw/zinc/20/74/49/187207449.db2.gz	MJBXDMCRKLENIA-NSHDSACASA-N	0	1	249.741	2.640	1	30		BFEFMN
C#CC[C@H]1C[N@@H+](C)CCc2cc(Cl)c([O-])cc21	ZINC000027317406	187207450	/nfs/dbraw/zinc/20/74/50/187207450.db2.gz	MJBXDMCRKLENIA-NSHDSACASA-N	0	1	249.741	2.640	1	30		BFEFMN
C(=Nc1nnc[nH]1)c1cccc2ccccc12	ZINC000100419851	191063190	/nfs/dbraw/zinc/06/31/90/191063190.db2.gz	DVXLIIPIMNNLEB-ZSOIEALJSA-N	0	1	222.251	2.709	1	30		BFEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(C)[C@H](N)C=O	ZINC000085544966	560070571	/nfs/dbraw/zinc/07/05/71/560070571.db2.gz	NALLLWRWJRRZFA-NSRNNXRCSA-N	0	1	247.382	2.777	1	30	biogenic,in-vitro	BFEFMN
C=C(C)[C@H]1O[C@@H]1c1c(O)ccc2ccc(=O)oc21	ZINC000026283338	187206806	/nfs/dbraw/zinc/20/68/06/187206806.db2.gz	RZYJPQNHTUCBBQ-TZMCWYRMSA-N	0	1	244.246	2.515	1	30		BFEFMN
C=C[C@H](C)[C@H](C(=O)c1ccccc1)N(C)C	ZINC000000205935	188225170	/nfs/dbraw/zinc/22/51/70/188225170.db2.gz	GSXQOQKFUFVXLV-WCQYABFASA-N	0	1	217.312	2.622	3	30		BFEFMN
N#Cc1c(=N)sc(S)c2c1CCCCC2	ZINC000101726465	181079256	/nfs/dbraw/zinc/07/92/56/181079256.db2.gz	AXOKKTWVEPEJJB-UHFFFAOYSA-N	0	1	236.365	2.657	1	30		BFEFMN
ONC=Nc1ccc(Cc2ccccc2)cc1	ZINC000049833014	183172027	/nfs/dbraw/zinc/17/20/27/183172027.db2.gz	DLGSCKSKWYCGOZ-UHFFFAOYSA-N	0	1	226.279	2.916	1	30		BFEFMN
C=CCN1C[C@H]2c3c(cccc3OC)CC[C@H]21	ZINC000013826921	166362025	/nfs/dbraw/zinc/36/20/25/166362025.db2.gz	FLYJXYQYBLPWIJ-CHWSQXEVSA-N	0	1	229.323	2.595	1	30		BFEFMN
COc1ccc(C=CC(=O)C=C(C)O)c(OC)c1	ZINC000101046789	175047176	/nfs/dbraw/zinc/04/71/76/175047176.db2.gz	JMADGRJKUVDQEB-HOGPSILUSA-N	0	1	248.278	2.748	1	30		BFEFMN
COc1ccc(C=CC(=O)CC(C)=O)c(OC)c1	ZINC000101046789	175047178	/nfs/dbraw/zinc/04/71/78/175047178.db2.gz	JMADGRJKUVDQEB-HOGPSILUSA-N	0	1	248.278	2.748	1	30		BFEFMN
C=CCN1CCC(C#N)(c2ccccc2)CC1	ZINC000040954470	166353347	/nfs/dbraw/zinc/35/33/47/166353347.db2.gz	UOAOOCKNAFDOJC-UHFFFAOYSA-N	0	1	226.323	2.730	1	30		BFEFMN
N#Cc1ccc2nc(N=Cc3ccco3)[nH]c2c1	ZINC000071294671	181133267	/nfs/dbraw/zinc/13/32/67/181133267.db2.gz	JROCKKHJDZLDHZ-OVCLIPMQSA-N	0	1	236.234	2.778	1	30		BFEFMN
C#CC[C@@H]1C[N@H+](C)CCc2cc(Cl)c([O-])cc21	ZINC000027317409	166204856	/nfs/dbraw/zinc/20/48/56/166204856.db2.gz	MJBXDMCRKLENIA-LLVKDONJSA-N	0	1	249.741	2.640	1	30		BFEFMN
C#CC[C@@H]1C[N@@H+](C)CCc2cc(Cl)c([O-])cc21	ZINC000027317409	166204858	/nfs/dbraw/zinc/20/48/58/166204858.db2.gz	MJBXDMCRKLENIA-LLVKDONJSA-N	0	1	249.741	2.640	1	30		BFEFMN
COc1ccc(-c2n[nH]c(SC)c2C#N)cc1	ZINC000000095657	175028992	/nfs/dbraw/zinc/02/89/92/175028992.db2.gz	NNGOZRFRERVJSV-UHFFFAOYSA-N	0	1	245.307	2.679	1	30		BFEFMN
COc1ccc(C=CC(=O)CC(C)=O)cc1OC	ZINC000101045213	175047113	/nfs/dbraw/zinc/04/71/13/175047113.db2.gz	MGZOSXSTGQXJPL-HOGPSILUSA-N	0	1	248.278	2.748	1	30		BFEFMN
COc1ccc(C=CC(=O)C=C(C)O)cc1OC	ZINC000101045213	175047114	/nfs/dbraw/zinc/04/71/14/175047114.db2.gz	MGZOSXSTGQXJPL-HOGPSILUSA-N	0	1	248.278	2.748	1	30		BFEFMN