smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C2=C(O[C@H](c3ccc(Br)cc3)C2)c2ccccc2C1=O	ZINC000169328868	206252590	/nfs/dbraw/zinc/25/25/90/206252590.db2.gz	URCCTYFMSUEGHW-HNNXBMFYSA-N	0	2	355.187	4.087	1	30		FIEFLN
N#C[C@@H](c1nc2ccccc2s1)c1nc(Cl)ncc1Br	ZINC000005519624	204212968	/nfs/dbraw/zinc/21/29/68/204212968.db2.gz	IGQADIBKPMFHOW-SSDOTTSWSA-N	0	2	365.643	4.158	1	30		FIEFLN
N#CC(c1nc2ccccc2s1)c1nc(Cl)ncc1Br	ZINC000005519624	204212970	/nfs/dbraw/zinc/21/29/70/204212970.db2.gz	IGQADIBKPMFHOW-SSDOTTSWSA-N	0	2	365.643	4.158	1	30		FIEFLN
COc1c2ccoc2cc(O)c1C(=O)C1=Cn2c(nc3ccccc32)CN=C1	ZINC000040878620	205084342	/nfs/dbraw/zinc/08/43/42/205084342.db2.gz	NRRQBOVJBZXBKH-UHFFFAOYSA-N	0	2	373.368	4.029	1	30		FIEFLN
N#Cc1ccc(Nc2nc(=O)[nH]c(Cc3c(Cl)cccc3Cl)n2)cc1	ZINC000005932836	204231191	/nfs/dbraw/zinc/23/11/91/204231191.db2.gz	XPTRGYGGPQDECG-UHFFFAOYSA-N	0	2	372.215	4.090	1	30		FIEFLN
COc1cc(/C(=N/O)c2csc(-c3ccccc3)n2)cc(OC)c1OC	ZINC000101979723	209232591	/nfs/dbraw/zinc/23/25/91/209232591.db2.gz	SZRQTLVXRKLXJZ-FXBPSFAMSA-N	0	2	370.430	4.063	1	30		FIEFLN
Cc1ccc(S(=O)(=O)N=C(O)Nc2ccc(-c3ccccc3)cc2)cc1	ZINC000006948632	207179753	/nfs/dbraw/zinc/17/97/53/207179753.db2.gz	SHEARHMNYNGJJR-UHFFFAOYSA-N	0	2	366.442	4.377	1	30		FIEFLN
N#Cc1c(O)c2c(cc(Cl)n2-c2ccc(-c3ccsc3)cc2)[nH]c1=O	ZINC000096913628	209161847	/nfs/dbraw/zinc/16/18/47/209161847.db2.gz	SPFGDGBQOVJWBA-UHFFFAOYSA-N	0	2	367.817	4.278	1	30		FIEFLN
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=C1C(=O)CC(CO)C(=O)C1=O	ZINC000043606403	210187890	/nfs/dbraw/zinc/18/78/90/210187890.db2.gz	KNEPVLLGXUSFJS-SGXKBVARSA-N	0	2	358.478	4.058	3	30		FIEFLN
Cc1cc(Cl)cc2c(O)c(C(=S)N(C)c3ccccc3)c(=O)n(C)c12	ZINC000101258828	132233770	/nfs/dbraw/zinc/23/37/70/132233770.db2.gz	WFCMGYKVSZORMD-XDJHFCHBSA-N	0	2	372.877	4.085	1	30		FIEFLN
Cc1cc(Cl)cc2c1N(C)C(=O)C(=C(S)N(C)c1ccccc1)C2=O	ZINC000101258828	132233773	/nfs/dbraw/zinc/23/37/73/132233773.db2.gz	WFCMGYKVSZORMD-XDJHFCHBSA-N	0	2	372.877	4.085	1	30		FIEFLN
O=S(=O)(N=C(O)Nc1ccc(Cl)cc1)c1csc2ccccc21	ZINC000000606265	210252152	/nfs/dbraw/zinc/25/21/52/210252152.db2.gz	IVODCKQKNQQFHA-UHFFFAOYSA-N	0	2	366.851	4.270	1	30		FIEFLN
CC(C=CC(=O)C1C(=O)[C@@H]2CCCN2C1=O)=Cc1ccc2ccccc2c1	ZINC000100756490	222252289	/nfs/dbraw/zinc/25/22/89/222252289.db2.gz	YIQOVUIBXLQTNC-YZHWLVMESA-N	0	2	359.425	4.185	1	30		FIEFLN
COc1ccc(/C=C/C(=O)c2ccc3occc3c2O)c(OC)c1OC	ZINC000103277212	222330914	/nfs/dbraw/zinc/33/09/14/222330914.db2.gz	BVZBSAOBSUTTMX-QPJJXVBHSA-N	0	2	354.358	4.060	1	30		FIEFLN
COC1=CC(=O)C2=C(C[C@]3(O2)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]23C)C1=O	ZINC000096922384	222139895	/nfs/dbraw/zinc/13/98/95/222139895.db2.gz	VRSIWRODZNLGCQ-IGPXYBRXSA-N	0	2	358.478	4.344	1	30		FIEFLN
CCCCCCCCCCCCSC[C@@H](O)c1oc(O)c(OC)c1O	ZINC000100904990	222256329	/nfs/dbraw/zinc/25/63/29/222256329.db2.gz	UGXPATRMJVJXNQ-NVXWUHKLSA-N	0	2	374.543	4.343	1	30		FIEFLN
Cc1ccc(Nc2nc3c(s2)Cc2cc(/C=C/C(=O)NO)ccc2-3)cc1	ZINC000096923416	222139914	/nfs/dbraw/zinc/13/99/14/222139914.db2.gz	SUXHAXGVGYJGMS-WEVVVXLNSA-N	0	2	363.442	4.285	1	30		FIEFLN
CCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1	ZINC000066073903	221239519	/nfs/dbraw/zinc/23/95/19/221239519.db2.gz	ZISGLPZPXXKGCW-UHFFFAOYSA-N	0	2	353.513	4.242	1	30		FIEFLN
CCCCCCCCCCCCSC[C@@H](O)c1oc(O)c(OC)c1O	ZINC000100904997	222256387	/nfs/dbraw/zinc/25/63/87/222256387.db2.gz	UGXPATRMJVJXNQ-WBVHZDCISA-N	0	2	374.543	4.343	1	30		FIEFLN
O=C1C(C=Nc2cccc(C(F)(F)F)c2)C=NN1c1cccc(Cl)n1	ZINC000101700337	222282111	/nfs/dbraw/zinc/28/21/11/222282111.db2.gz	AVYMZRNDLWRWME-ODCIPOBUSA-N	0	2	366.730	4.396	1	30		FIEFLN
CC(=NCc1ccco1)C1C(=O)N(c2nc3ccccc3s2)N=C1C	ZINC000101507501	222276549	/nfs/dbraw/zinc/27/65/49/222276549.db2.gz	KVZKQRJHGIFKAM-YBFXNURJSA-N	0	2	352.419	4.098	1	30		FIEFLN