smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NCc1cc(Cl)ccc1[O-])c1ccccc1Br	ZINC000036945615	213127009	/nfs/dbraw/zinc/12/70/09/213127009.db2.gz	LFPIYJSIMDDRGD-SNVBAGLBSA-N	-1	3	340.648	4.659	10	10		EJCEHM
Cc1ccnc(N[C@H](c2ccsc2)c2ccc3cccnc3c2[O-])c1	ZINC000000713119	563362769	/nfs/dbraw/zinc/36/27/69/563362769.db2.gz	MLVKEOSVLIGARN-GOSISDBHSA-N	-1	3	347.443	4.907	10	10		EJCEHM
[O-]c1c([C@@H](Nc2cccnc2)c2cccs2)ccc2cccnc21	ZINC000002881097	563460714	/nfs/dbraw/zinc/46/07/14/563460714.db2.gz	YXIFQESPJHWOSI-GOSISDBHSA-N	-1	3	333.416	4.598	10	10		EJCEHM
Cc1ccc([C@@H]2N=C(c3ccccc3)C[C@H](c3ccccc3[O-])N2)s1	ZINC000080324862	217297971	/nfs/dbraw/zinc/29/79/71/217297971.db2.gz	UXUFOVMHGYXRJE-WIYYLYMNSA-N	-1	3	348.471	4.985	10	10		EJCEHM
[O-]c1ccc2ccccc2c1CNc1cccc(Br)c1	ZINC000019941721	212088261	/nfs/dbraw/zinc/08/82/61/212088261.db2.gz	MYIIIBVITWWDGZ-UHFFFAOYSA-N	-1	3	328.209	4.920	10	10		EJCEHM
[O-]c1ccc(Cl)cc1CNc1ccc(Br)cc1F	ZINC000019908030	212081423	/nfs/dbraw/zinc/08/14/23/212081423.db2.gz	AXHNQPWEHXDOLS-UHFFFAOYSA-N	-1	3	330.584	4.559	10	10		EJCEHM
Cc1ccnc(N[C@@H](c2ccsc2)c2ccc3cccnc3c2[O-])c1	ZINC000000713111	563362745	/nfs/dbraw/zinc/36/27/45/563362745.db2.gz	MLVKEOSVLIGARN-SFHVURJKSA-N	-1	3	347.443	4.907	10	10		EJCEHM
CC(C)=CC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000040868758	202466939	/nfs/dbraw/zinc/46/69/39/202466939.db2.gz	QUBCXXKUSHABHU-QFIPXVFZSA-N	-1	3	331.415	4.717	10	10		EJCEHM
Cc1ccc([C@H]2N=C(c3ccccc3)C[C@H](c3ccccc3[O-])N2)s1	ZINC000080324859	217298127	/nfs/dbraw/zinc/29/81/27/217298127.db2.gz	UXUFOVMHGYXRJE-NQIIRXRSSA-N	-1	3	348.471	4.985	10	10		EJCEHM
[O-]c1c([C@H](Nc2cccnc2)c2cccs2)ccc2cccnc21	ZINC000002881096	563460742	/nfs/dbraw/zinc/46/07/42/563460742.db2.gz	YXIFQESPJHWOSI-SFHVURJKSA-N	-1	3	333.416	4.598	10	10		EJCEHM
[O-]c1ccc(Cl)cc1CNc1cc(Br)ccc1F	ZINC000036751123	213115670	/nfs/dbraw/zinc/11/56/70/213115670.db2.gz	JQEVQBXNUSKHIT-UHFFFAOYSA-N	-1	3	330.584	4.559	10	10		EJCEHM
CC[C@@H](Nc1ccc(F)c(F)c1)c1cc(Br)ccc1[O-]	ZINC000019918271	212084061	/nfs/dbraw/zinc/08/40/61/212084061.db2.gz	BPMKMIUWUPRHJW-CQSZACIVSA-N	-1	3	342.183	4.996	10	10		EJCEHM
Cc1ccc([C@@H]2N=C(c3ccccc3)C[C@@H](c3ccccc3[O-])N2)s1	ZINC000080324851	217298046	/nfs/dbraw/zinc/29/80/46/217298046.db2.gz	UXUFOVMHGYXRJE-GHTZIAJQSA-N	-1	3	348.471	4.985	10	10		EJCEHM
CC[C@H](Nc1ccc(F)c(F)c1)c1cc(Br)ccc1[O-]	ZINC000019918273	212083430	/nfs/dbraw/zinc/08/34/30/212083430.db2.gz	BPMKMIUWUPRHJW-AWEZNQCLSA-N	-1	3	342.183	4.996	10	10		EJCEHM
[O-]c1ccc2ccccc2c1CNc1ccccc1Br	ZINC000019922592	212084475	/nfs/dbraw/zinc/08/44/75/212084475.db2.gz	GOSPBDONEGQEAX-UHFFFAOYSA-N	-1	3	328.209	4.920	10	10		EJCEHM
[O-]c1c([C@H](Nc2cccnc2)c2ccsc2)ccc2cccnc21	ZINC000001066220	563372527	/nfs/dbraw/zinc/37/25/27/563372527.db2.gz	KSWFNFIKRRTNCX-QGZVFWFLSA-N	-1	3	333.416	4.598	10	10		EJCEHM
[O-]c1c([C@@H](Nc2cccnc2)c2ccsc2)ccc2cccnc21	ZINC000001066225	563372613	/nfs/dbraw/zinc/37/26/13/563372613.db2.gz	KSWFNFIKRRTNCX-KRWDZBQOSA-N	-1	3	333.416	4.598	10	10		EJCEHM
Cc1ccc([C@H]2N=C(c3ccccc3)C[C@@H](c3ccccc3[O-])N2)s1	ZINC000080324847	217298366	/nfs/dbraw/zinc/29/83/66/217298366.db2.gz	UXUFOVMHGYXRJE-RXVVDRJESA-N	-1	3	348.471	4.985	10	10		EJCEHM
C[C@H](NCc1cc(Cl)ccc1[O-])c1ccccc1Br	ZINC000036945614	213127875	/nfs/dbraw/zinc/12/78/75/213127875.db2.gz	LFPIYJSIMDDRGD-JTQLQIEISA-N	-1	3	340.648	4.659	10	10		EJCEHM
Cc1ccc2ccc([C@H](Nc3ccccc3)c3cccnc3)c([O-])c2n1	ZINC000045930501	201104723	/nfs/dbraw/zinc/10/47/23/201104723.db2.gz	XJVBVOPGDOLESL-HXUWFJFHSA-N	-1	3	341.414	4.845	10	10		EJCEHM