smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC([O-])=C1C(=O)C(=O)N(c2cccc(Cl)c2)[C@H]1C1CCCCC1	ZINC000034053561	202272410	/nfs/dbraw/zinc/27/24/10/202272410.db2.gz	AYEWGKWGWGVEHB-INIZCTEOSA-N	-1	3	333.815	4.037	10	30		EIEEHM
Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc([O-])cc1	ZINC000101764117	204021506	/nfs/dbraw/zinc/02/15/06/204021506.db2.gz	BWMZYJIGHXDPMT-ZZUBKFDBSA-N	-1	3	334.419	4.454	10	30		EIEEHM
C/C(=N\[O-])c1ccc(OCc2ccc(Br)s2)cc1	ZINC000019809170	202022299	/nfs/dbraw/zinc/02/22/99/202022299.db2.gz	RHMZECPFJPFLRR-OQLLNIDSSA-N	-1	3	326.215	4.288	10	30		EIEEHM
C=CCn1nc(-c2ccc(O)cc2[O-])c2cccc(C(F)(F)F)c21	ZINC000006716152	201363553	/nfs/dbraw/zinc/36/35/53/201363553.db2.gz	ZDUDMCQPFKPISO-UHFFFAOYSA-N	-1	3	334.297	4.319	10	30	in-vivo	EIEEHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1C1CCCCC1	ZINC000034029766	202271370	/nfs/dbraw/zinc/27/13/70/202271370.db2.gz	KPFBJLCGAVPQRV-KRWDZBQOSA-N	-1	3	347.842	4.345	10	30		EIEEHM
N#Cc1ccsc1[N-]C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000037975114	213178718	/nfs/dbraw/zinc/17/87/18/213178718.db2.gz	CVFRVKYBROOQKS-UHFFFAOYSA-N	-1	3	342.163	4.087	10	30		EIEEHM
COc1cc(C=N[N-]c2nc3ccccc3o2)ccc1OC(C)C	ZINC000005522649	521996134	/nfs/dbraw/zinc/99/61/34/521996134.db2.gz	WUJKNXROUREZLW-YBFXNURJSA-N	-1	3	325.368	4.070	10	30		EIEEHM
Cc1c(/N=C\c2cc(Br)ccc2[O-])cccc1[N+](=O)[O-]	ZINC000100104712	219091630	/nfs/dbraw/zinc/09/16/30/219091630.db2.gz	VRZLOCZDOZDWJY-PXNMLYILSA-N	-1	3	335.157	4.122	10	30		EIEEHM
C=CCNc1ncnc([N-]c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	ZINC000040598792	213356714	/nfs/dbraw/zinc/35/67/14/213356714.db2.gz	SKIJYTLKQRPXNI-UHFFFAOYSA-N	-1	3	340.170	4.033	10	30		EIEEHM
C/C(=N\[O-])c1cccc(OCc2ccc(Br)s2)c1	ZINC000019809354	212070967	/nfs/dbraw/zinc/07/09/67/212070967.db2.gz	CLBQVWRNOZKYFF-OQLLNIDSSA-N	-1	3	326.215	4.288	10	30		EIEEHM
COc1ccc(/C=N/[O-])cc1OCc1ccc(Cl)c(Cl)c1	ZINC000011828799	523449848	/nfs/dbraw/zinc/44/98/48/523449848.db2.gz	POLNYODUYOOBCY-QGMBQPNBSA-N	-1	3	326.179	4.389	10	30		EIEEHM
N#Cc1c(Cl)c(C#N)c(Nc2ccccc2[O-])c(C#N)c1Cl	ZINC000003607232	210065303	/nfs/dbraw/zinc/06/53/03/210065303.db2.gz	KFCLBFAIFGVARZ-UHFFFAOYSA-N	-1	3	329.146	4.058	10	30		EIEEHM
CCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N\c1cccc([O-])c1	ZINC000016904325	211940249	/nfs/dbraw/zinc/94/02/49/211940249.db2.gz	VBBJGYJKEZIUMI-XXUJCTABSA-N	-1	3	342.395	4.155	10	30		EIEEHM
Cc1ccc(/C(N)=N/[O-])c(Sc2ccccc2Br)c1	ZINC000051581789	214098258	/nfs/dbraw/zinc/09/82/58/214098258.db2.gz	UKHGNTBBVGBIAG-UHFFFAOYSA-N	-1	3	337.242	4.003	10	30		EIEEHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1C1CCCCC1	ZINC000003952080	210093680	/nfs/dbraw/zinc/09/36/80/210093680.db2.gz	AUWLMSMNUGBJKE-MRXNPFEDSA-N	-1	3	333.815	4.037	10	30		EIEEHM
C=CCNc1ncnc([N-]c2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040598709	213356301	/nfs/dbraw/zinc/35/63/01/213356301.db2.gz	SFNRVPSUBMRJNR-UHFFFAOYSA-N	-1	3	340.170	4.033	10	30		EIEEHM
C=CCNc1ncnc([N-]c2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040598706	213356031	/nfs/dbraw/zinc/35/60/31/213356031.db2.gz	JPEBLHKEHMDWFW-UHFFFAOYSA-N	-1	3	340.170	4.033	10	30		EIEEHM
Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc([O-])cc1	ZINC000101764120	219162860	/nfs/dbraw/zinc/16/28/60/219162860.db2.gz	BWMZYJIGHXDPMT-LKOLJXARSA-N	-1	3	334.419	4.454	10	30		EIEEHM
COc1ccc(Br)cc1C=N[N-]c1nc2ccccc2o1	ZINC000005661767	563544065	/nfs/dbraw/zinc/54/40/65/563544065.db2.gz	DNMBYKDFNCJEHM-RQZCQDPDSA-N	-1	3	346.184	4.045	10	30		EIEEHM