smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c(COc2ccc(C#N)cc2)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c21	ZINC000045796099	521406453	/nfs/dbraw/zinc/40/64/53/521406453.db2.gz	ZKBHIFHEYMSSOW-UHFFFAOYSA-N	1	2	486.366	4.335	10	30		JIEELO
Cc1ccc(S(=O)(=O)OC[C@@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1	ZINC000022057057	525622836	/nfs/dbraw/zinc/62/28/36/525622836.db2.gz	WAXNIYHZFWRPGS-LAUBAEHRSA-N	1	2	483.373	4.172	10	30	in-vitro	JIEELO
Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1	ZINC000006088320	525623151	/nfs/dbraw/zinc/62/31/51/525623151.db2.gz	WAXNIYHZFWRPGS-DYESRHJHSA-N	1	2	483.373	4.172	10	30	in-vitro	JIEELO
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102562613	130210125	/nfs/dbraw/zinc/21/01/25/130210125.db2.gz	ZDHUGFUZDDLUKS-HZIIRYGVSA-N	1	2	457.530	4.027	10	30		JIEELO
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102562613	130210128	/nfs/dbraw/zinc/21/01/28/130210128.db2.gz	ZDHUGFUZDDLUKS-HZIIRYGVSA-N	1	2	457.530	4.027	10	30		JIEELO
COc1cccc([C@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)OCc2ccc(C#N)cc2)c1	ZINC000023335413	556044968	/nfs/dbraw/zinc/04/49/68/556044968.db2.gz	HILTWLNTDBRINT-LJAQVGFWSA-N	1	2	499.611	4.186	10	30		JIEELO
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@@H](Cc1ccccc1)CN2Cc1c[nH+]c[nH]1	ZINC000000602601	553711440	/nfs/dbraw/zinc/71/14/40/553711440.db2.gz	OLCWFLWEHWLBTO-QHCPKHFHSA-N	1	2	489.626	4.165	10	30		JIEELO
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@@H](Cc1ccccc1)CN2Cc1c[nH]c[nH+]1	ZINC000000602601	553711444	/nfs/dbraw/zinc/71/14/44/553711444.db2.gz	OLCWFLWEHWLBTO-QHCPKHFHSA-N	1	2	489.626	4.165	10	30		JIEELO
COc1cccc([C@@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)OCc2ccc(C#N)cc2)c1	ZINC000023335412	556044871	/nfs/dbraw/zinc/04/48/71/556044871.db2.gz	HILTWLNTDBRINT-GDLZYMKVSA-N	1	2	499.611	4.186	10	30		JIEELO
COc1cccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)c1OC	ZINC000041585610	525769083	/nfs/dbraw/zinc/76/90/83/525769083.db2.gz	YIIUDOKFCDOGIS-XYGWBWBKSA-N	1	2	490.531	4.487	10	30		JIEELO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccs2)cc1	ZINC000102516055	130169027	/nfs/dbraw/zinc/16/90/27/130169027.db2.gz	JHEVGBDUKIEWTF-AGGMBTAESA-N	1	2	451.548	4.245	10	30		JIEELO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccs2)cc1	ZINC000102516064	130168993	/nfs/dbraw/zinc/16/89/93/130168993.db2.gz	JHEVGBDUKIEWTF-SADKCHQCSA-N	1	2	451.548	4.245	10	30		JIEELO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1C#N	ZINC000009465643	555240358	/nfs/dbraw/zinc/24/03/58/555240358.db2.gz	QDBQSEODDNUHDT-UHFFFAOYSA-N	1	2	475.637	4.078	10	30		JIEELO