smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CCC[C@H]2[C@](C)(CC/C(C)=C/C[C@H]3OC(=O)C=C3CO)[C@@H](C)CC[C@]12C	ZINC000033838255	212111388	/nfs/dbraw/zinc/11/13/88/212111388.db2.gz	QQKDQHJTKIBERS-OGXBFCNVSA-N	0	2	386.576	5.746	1	30		GKEFLN
C=C1CCC[C@H]2[C@](C)(CC/C(C)=C/CC3OC(=O)C=C3CO)[C@@H](C)CC[C@]12C	ZINC000033838255	212111394	/nfs/dbraw/zinc/11/13/94/212111394.db2.gz	QQKDQHJTKIBERS-OGXBFCNVSA-N	0	2	386.576	5.746	1	30		GKEFLN
C=C1CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1CC1OC(=O)C=C1CO	ZINC000040918608	212041003	/nfs/dbraw/zinc/04/10/03/212041003.db2.gz	IDZSBARYKPRHAX-HVCBDKPISA-N	0	2	386.576	5.436	1	30		GKEFLN
Cc1ccc(SC2=C(Cl)C(=O)c3[nH]c(-c4ccccc4)nc3C2=O)cc1	ZINC000029048583	207354126	/nfs/dbraw/zinc/35/41/26/207354126.db2.gz	BTARIKYTCLNIIV-UHFFFAOYSA-N	0	2	380.856	5.007	1	30		GKEFLN
Cc1ccc(SC2=C(Cl)C(=O)c3nc(-c4ccccc4)[nH]c3C2=O)cc1	ZINC000029048583	207354130	/nfs/dbraw/zinc/35/41/30/207354130.db2.gz	BTARIKYTCLNIIV-UHFFFAOYSA-N	0	2	380.856	5.007	1	30		GKEFLN
CCCc1ccc(-c2ccc(NC3=C(O)C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000084712115	205398448	/nfs/dbraw/zinc/39/84/48/205398448.db2.gz	DOAFQHCAPXWBPD-UHFFFAOYSA-N	0	2	383.447	5.567	1	30		GKEFLN
CCOC(=O)[C@@H](C#N)[C@@H](c1ccc2ccccc2c1)c1cccc2ccccc21	ZINC000028865625	221685945	/nfs/dbraw/zinc/68/59/45/221685945.db2.gz	KIQFYXQRTULPSW-DQEYMECFSA-N	0	2	379.459	5.828	1	30		GKEFLN
O/N=C(\CSc1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl	ZINC000095575684	222356444	/nfs/dbraw/zinc/35/64/44/222356444.db2.gz	WHXDOOFFZBZSNK-VXLYETTFSA-N	0	2	386.247	6.044	1	30		GKEFLN
C=C[C@](C)(CCC=C(C)C)c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000028477814	209180996	/nfs/dbraw/zinc/18/09/96/209180996.db2.gz	QLDAISHJKMTMHF-RUZDIDTESA-N	0	2	390.479	6.061	1	30		GKEFLN
C=CC(C)(C)c1c2oc3c(O)cccc3c(O)c-2c(O)c(CCC=C(C)C)c1=O	ZINC000095485970	291143721	/nfs/dbraw/zinc/14/37/21/291143721.db2.gz	XIGCLAQMCJCYAV-UHFFFAOYSA-N	0	2	394.467	5.425	1	30	biogenic,in-vitro	GKEFLN
Cc1cc(Cl)ccc1NC(=S)NN=Cc1cc(Cl)cc(Cl)c1O	ZINC000013475373	221269122	/nfs/dbraw/zinc/26/91/22/221269122.db2.gz	BNLMASCXKOMCKU-FBCYGCLPSA-N	0	2	388.707	5.202	1	30		GKEFLN
C=C(C)[C@H]1C[C@H](c2c(O)c3c(O)c4cccc(O)c4oc-3cc2=O)C(C)(C)C1	ZINC000014638121	212098246	/nfs/dbraw/zinc/09/82/46/212098246.db2.gz	AUUIZUXRGRVPCU-GXTWGEPZSA-N	0	2	380.440	5.159	1	30	in-vitro	GKEFLN
CCCCCCCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448243	222071341	/nfs/dbraw/zinc/07/13/41/222071341.db2.gz	OPWMDMCKTJPDAT-UHFFFAOYSA-N	0	2	398.455	5.316	1	30		GKEFLN
C=C[C@@](C)(CCC=C(C)C)c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000028477817	209180035	/nfs/dbraw/zinc/18/00/35/209180035.db2.gz	QLDAISHJKMTMHF-VWLOTQADSA-N	0	2	390.479	6.061	1	30		GKEFLN
C=C1CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1CC1OC(=O)C=C1CO	ZINC000040918607	206194036	/nfs/dbraw/zinc/19/40/36/206194036.db2.gz	IDZSBARYKPRHAX-BXWWMEFGSA-N	0	2	386.576	5.436	1	30		GKEFLN