smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[n-]c(N/N=C/c2ccccc2[O-])nc1=O	ZINC000009335031	384245222	/nfs/dbraw/zinc/24/52/22/384245222.db2.gz	WZKXIAKFAUWNDM-WUXMJOGZSA-N	-2	3	245.242	0.625	50	30		BCEAHL
CO[N-]C(=O)[C@H](C)ON=Cc1ccccc1[O-]	ZINC000254826244	388370960	/nfs/dbraw/zinc/37/09/60/388370960.db2.gz	GPYNOKFPDRMSSW-QMMMGPOBSA-N	-2	3	238.243	0.809	50	30		BCEAHL
N#Cc1c2c([n-]c(=O)c1C(=O)[O-])CCCC2	ZINC000078550016	181079271	/nfs/dbraw/zinc/07/92/71/181079271.db2.gz	WIVRGMMAFTXWTN-UHFFFAOYSA-N	-2	3	218.212	0.824	50	30		BCEAHL
O=c1cnnc(NN=Cc2ccc(O)cc2[O-])[n-]1	ZINC000004158865	183008260	/nfs/dbraw/zinc/00/82/60/183008260.db2.gz	NWISLIQNHHMMKI-NYYWCZLTSA-N	-2	3	247.214	0.022	50	30		BCEAHL
O=c1ccnc(NN=Cc2ccccc2[O-])[n-]1	ZINC000004955825	183004600	/nfs/dbraw/zinc/00/46/00/183004600.db2.gz	UENOINWBSMDXKU-NTUHNPAUSA-N	-2	3	230.227	0.922	50	30		BCEAHL
O=C([O-])c1cccc2c1[N-]/C(=N/[O-])C2=O	ZINC000024716960	343075932	/nfs/dbraw/zinc/07/59/32/343075932.db2.gz	ZKMKIGUBXZLREG-UHFFFAOYSA-N	-3	3	206.157	0.781	50	30		BCEAHL
CCc1c(C)[n-]c(=O)c(C(=O)[O-])c1C#N	ZINC000078550013	388682406	/nfs/dbraw/zinc/68/24/06/388682406.db2.gz	KESGYPIMWWYNKM-UHFFFAOYSA-N	-2	3	206.201	0.816	50	30		BCEAHL
O=C([O-])c1c([O-])coc1Nc1ccccc1	ZINC000000024762	491083767	/nfs/dbraw/zinc/08/37/67/491083767.db2.gz	TWMQSQKWJTXETM-UHFFFAOYSA-N	-2	3	219.196	0.994	50	30		BCEAHL
C=C(NCCC(=O)[O-])c1c([O-])cc(C)oc1=O	ZINC000101453028	191064145	/nfs/dbraw/zinc/06/41/45/191064145.db2.gz	MSEMMVKDVWKPMH-JTQLQIEISA-N	-2	3	239.227	0.210	50	30		BCEAHL
O=c1cn[n-]c(N/N=C/c2ccccc2[O-])n1	ZINC000003945045	183006307	/nfs/dbraw/zinc/00/63/07/183006307.db2.gz	JLNGJBLIIKJAGO-VZUCSPMQSA-N	-2	3	231.215	0.317	50	30		BCEAHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[O-]	ZINC000003888419	351425585	/nfs/dbraw/zinc/42/55/85/351425585.db2.gz	AQMFLDRLLHUMCS-UHFFFAOYSA-N	-2	3	220.228	0.881	50	30		BCEAHL
O=C([O-])c1ccc(C=NN2CC(=O)[N-]C2=O)cc1	ZINC000254756535	642739566	/nfs/dbraw/zinc/73/95/66/642739566.db2.gz	SLIGTDFDPAQYIL-UHFFFAOYSA-N	-2	3	247.210	0.271	50	30		BCEAHL
CCN1CCc2c(C#N)c(=O)[n-]c([O-])c2C1	ZINC000002260762	170023799	/nfs/dbraw/zinc/02/37/99/170023799.db2.gz	QAQSXBFRGNOQTR-UHFFFAOYSA-N	-2	3	219.244	0.330	50	30		BCEAHL
COc1cc(/C=N\[O-])ccc1OCC(=O)[O-]	ZINC000004832510	384931953	/nfs/dbraw/zinc/93/19/53/384931953.db2.gz	GUGOLAZVXAGPNR-WZUFQYTHSA-N	-2	3	225.200	0.967	50	30		BCEAHL
O=S(=O)([O-])OCC/N=C/c1ccccc1[O-]	ZINC000020436243	347447069	/nfs/dbraw/zinc/44/70/69/347447069.db2.gz	NMSKIWZUIXIELR-JXMROGBWSA-N	-2	3	245.256	0.631	50	30		BCEAHL
C=C(NCCC(=O)[O-])c1c([O-])cc(C)oc1=O	ZINC000101453031	191064153	/nfs/dbraw/zinc/06/41/53/191064153.db2.gz	MSEMMVKDVWKPMH-SNVBAGLBSA-N	-2	3	239.227	0.210	50	30		BCEAHL
CC(=O)C(Sc1n[nH]c(=O)[n-]c1=O)=C(C)[O-]	ZINC000033712233	350455928	/nfs/dbraw/zinc/45/59/28/350455928.db2.gz	NRHFSDJNIZQETQ-HWKANZROSA-N	-2	3	243.244	0.341	50	30		BCEAHL
CC(=O)C(=N[N-]c1nc(C#N)c(C#N)[n-]1)C(C)=O	ZINC000001414495	386452931	/nfs/dbraw/zinc/45/29/31/386452931.db2.gz	IPAVYHPLHUIIHX-UHFFFAOYSA-N	-2	3	244.214	0.099	50	30		BCEAHL
CCOC(=O)c1[n-]cnc1[N-]N=C(C#N)C#N	ZINC000005799564	170307824	/nfs/dbraw/zinc/30/78/24/170307824.db2.gz	OJXFDTFJXHQUKS-UHFFFAOYSA-N	-2	3	232.203	0.401	50	30		BCEAHL
CO[N-]C(=O)[C@@H](C)ON=Cc1ccccc1[O-]	ZINC000254826243	388370699	/nfs/dbraw/zinc/37/06/99/388370699.db2.gz	GPYNOKFPDRMSSW-MRVPVSSYSA-N	-2	3	238.243	0.809	50	30		BCEAHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Cl)cc1	ZINC000022779853	384777625	/nfs/dbraw/zinc/77/76/25/384777625.db2.gz	IQIGLQWFVDTQLA-VZUCSPMQSA-N	-2	3	238.634	0.400	50	30		BCEAHL