smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(-c2nc([C@@H]3CC(c4ccc(O)cc4)=NN3c3ccccc3)no2)cc1	ZINC000096911227	211350814	/nfs/dbraw/zinc/35/08/14/211350814.db2.gz	XQLTWKMRFZVPEK-NRFANRHFSA-N	-1	3	398.422	4.504	1	10		GJCFHM
Cc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363241	205136831	/nfs/dbraw/zinc/13/68/31/205136831.db2.gz	MGVYUAIJJICLBX-RDPSFJRHSA-N	-1	3	386.451	4.652	1	10		GJCFHM
[O-]c1ccccc1C1=NN[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1	ZINC000073240255	222268538	/nfs/dbraw/zinc/26/85/38/222268538.db2.gz	VEKIRIFJJMAJNK-JOCHJYFZSA-N	-1	3	398.441	4.823	1	10		GJCFHM
O=C(Cc1ccccc1)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000890449	209276472	/nfs/dbraw/zinc/27/64/72/209276472.db2.gz	GEMUFCURVXNVJY-FQEVSTJZSA-N	-1	3	392.842	4.635	1	10		GJCFHM
COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363351	205136554	/nfs/dbraw/zinc/13/65/54/205136554.db2.gz	WZSLVMPTHWXTHR-XUZZJYLKSA-N	-1	3	388.467	4.632	1	10		GJCFHM
[O-]c1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccc(O)cc2)C1	ZINC000040380789	205062375	/nfs/dbraw/zinc/06/23/75/205062375.db2.gz	CGZGEJSUZRVTIR-HXUWFJFHSA-N	-1	3	389.480	4.646	1	10		GJCFHM
COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363349	205136777	/nfs/dbraw/zinc/13/67/77/205136777.db2.gz	WZSLVMPTHWXTHR-ZJSXRUAMSA-N	-1	3	388.467	4.632	1	10		GJCFHM
[O-]c1c(O)cc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1O	ZINC000058590657	222053807	/nfs/dbraw/zinc/05/38/07/222053807.db2.gz	ZSGBXHXEPOOROG-UHFFFAOYSA-N	-1	3	379.803	4.811	1	10		GJCFHM
CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cc(Cl)ccc1[O-]	ZINC000095560856	208232410	/nfs/dbraw/zinc/23/24/10/208232410.db2.gz	FPXRZKOMSSOAJL-INIZCTEOSA-N	-1	3	393.668	4.506	1	10		GJCFHM
Cc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363237	222009385	/nfs/dbraw/zinc/00/93/85/222009385.db2.gz	MGVYUAIJJICLBX-YKSBVNFPSA-N	-1	3	386.451	4.652	1	10		GJCFHM
COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362960	222009996	/nfs/dbraw/zinc/00/99/96/222009996.db2.gz	NWXCKWDMRABXRQ-XUZZJYLKSA-N	-1	3	388.467	4.632	1	10		GJCFHM
O=C1c2c(cc(-c3ccccc3)c(O)c2[O-])CN1Cc1ccc(F)c(Cl)c1	ZINC000095560944	222354867	/nfs/dbraw/zinc/35/48/67/222354867.db2.gz	IFZZAGRIRFOHGK-UHFFFAOYSA-N	-1	3	383.806	4.713	1	10		GJCFHM
CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Br)ccc1[O-]	ZINC000095559198	222355004	/nfs/dbraw/zinc/35/50/04/222355004.db2.gz	PJEDOIISLYAPKS-INIZCTEOSA-N	-1	3	393.668	4.506	1	10		GJCFHM
O=C(Cc1ccccc1)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000890447	206331982	/nfs/dbraw/zinc/33/19/82/206331982.db2.gz	GEMUFCURVXNVJY-HXUWFJFHSA-N	-1	3	392.842	4.635	1	10		GJCFHM
Cc1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363239	222009470	/nfs/dbraw/zinc/00/94/70/222009470.db2.gz	MGVYUAIJJICLBX-GBXCKJPGSA-N	-1	3	386.451	4.652	1	10		GJCFHM
CCC(CC)CN1C(=O)S/C(=C\c2cc(O)c([O-])c(C(F)(F)F)c2)C1=O	ZINC000084728354	222322156	/nfs/dbraw/zinc/32/21/56/222322156.db2.gz	QZGJAIIJPSYTJI-QPEQYQDCSA-N	-1	3	389.395	4.589	1	10		GJCFHM
CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cc(Cl)ccc1[O-]	ZINC000095560857	208232540	/nfs/dbraw/zinc/23/25/40/208232540.db2.gz	FPXRZKOMSSOAJL-MRXNPFEDSA-N	-1	3	393.668	4.506	1	10		GJCFHM
Cc1c(O)c(CCC(C)C)c2c3c1OC(C)(C)N=C3c1cccc([O-])c1C2=O	ZINC000095577266	222357277	/nfs/dbraw/zinc/35/72/77/222357277.db2.gz	WMURTDFNFBXFFU-UHFFFAOYSA-N	-1	3	379.456	4.505	1	10		GJCFHM
CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Br)ccc1[O-]	ZINC000095559199	208232804	/nfs/dbraw/zinc/23/28/04/208232804.db2.gz	PJEDOIISLYAPKS-MRXNPFEDSA-N	-1	3	393.668	4.506	1	10		GJCFHM
O=C(N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-])c1ccccc1	ZINC000072111189	222207456	/nfs/dbraw/zinc/20/74/56/222207456.db2.gz	NCZBHATWWRNOGP-GOSISDBHSA-N	-1	3	378.815	4.706	1	10		GJCFHM