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(/C=N\c2ccccc2[O-])cc1I	ZINC000408963712	457589762	/nfs/dbraw/zinc/58/97/62/457589762.db2.gz	OQIKOLJCVJQIQG-NVNXTCNLSA-N	-2	3	339.132	3.453	40	30		EGEBHL
COc1ccccc1C1C=C([O-])C(c2nc3ccccc3[nH]2)C([O-])=C1	ZINC000009287735	211061713	/nfs/dbraw/zinc/06/17/13/211061713.db2.gz	CNVGHDHCHNCYIK-UHFFFAOYSA-N	-2	3	334.375	3.460	40	30		EGEBHL
N#C[C@@H]([N-]C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F	ZINC000097374753	454434167	/nfs/dbraw/zinc/43/41/67/454434167.db2.gz	OXSJCJDGEJJEQM-LLVKDONJSA-N	-2	3	342.223	3.082	40	30		EGEBHL
[O-]c1ccc(Cl)cc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000006230053	452926503	/nfs/dbraw/zinc/92/65/03/452926503.db2.gz	HYCANOQFSXLHBK-QGMBQPNBSA-N	-2	3	338.758	3.311	40	30		EGEBHL
[O-]c1ccc(/N=C/c2ccc([O-])c(I)c2)cc1	ZINC000408905558	457590057	/nfs/dbraw/zinc/59/00/57/457590057.db2.gz	ZGJBCZZWWMQXEL-OVCLIPMQSA-N	-2	3	339.132	3.453	40	30		EGEBHL
CCOc1ccc(Br)c(/C=N/c2ncccc2[O-])c1[O-]	ZINC000003191511	452748350	/nfs/dbraw/zinc/74/83/50/452748350.db2.gz	OENPLOGHVHWQKM-CAOOACKPSA-N	-2	3	337.173	3.405	40	30		EGEBHL
O=P([O-])([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103624341	219317764	/nfs/dbraw/zinc/31/77/64/219317764.db2.gz	FGHHNAZKTIELTK-UHFFFAOYSA-N	-2	3	328.067	3.022	40	30		EGEBHL
CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccccc1[O-]	ZINC000101018761	219114280	/nfs/dbraw/zinc/11/42/80/219114280.db2.gz	CTLICLFOUPAIPJ-NHDPSOOVSA-N	-2	3	332.367	3.356	40	30		EGEBHL
C=CCc1cc(S(=O)(=O)c2ccc([O-])c(CC=C)c2)ccc1[O-]	ZINC000000358954	452570747	/nfs/dbraw/zinc/57/07/47/452570747.db2.gz	MTMKZABGIQJAEX-UHFFFAOYSA-N	-2	3	330.405	3.388	40	30		EGEBHL
N#C[C@H]([N-]C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F	ZINC000097374754	454434458	/nfs/dbraw/zinc/43/44/58/454434458.db2.gz	OXSJCJDGEJJEQM-NSHDSACASA-N	-2	3	342.223	3.082	40	30		EGEBHL
CCOc1ccc(/C=N/c2cccc(-c3n[n-]c(=N)s3)c2)cc1[O-]	ZINC000408718351	457587859	/nfs/dbraw/zinc/58/78/59/457587859.db2.gz	LQYKDSNLWQNARA-VXLYETTFSA-N	-2	3	340.408	3.473	40	30		EGEBHL
O=C([O-])c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1O	ZINC000001606593	452669832	/nfs/dbraw/zinc/66/98/32/452669832.db2.gz	PXSBXHUUOXUHKK-FRKPEAEDSA-N	-2	3	336.141	3.309	40	30		EGEBHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2[O-])cc1	ZINC000054360513	214232368	/nfs/dbraw/zinc/23/23/68/214232368.db2.gz	LIQIPDSYXIFNGO-MFOYZWKCSA-N	-2	3	326.381	3.210	40	30		EGEBHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[O-])cc1	ZINC000051376655	214092206	/nfs/dbraw/zinc/09/22/06/214092206.db2.gz	OHWQRVAHTCKZNF-YVLHZVERSA-N	-2	3	326.381	3.204	40	30		EGEBHL
COc1cc(OC)c(C(=O)/C=C/c2ccccc2[O-])c([O-])c1OC	ZINC000004691813	522788553	/nfs/dbraw/zinc/78/85/53/522788553.db2.gz	NOXIUTJZGRBUFK-CMDGGOBGSA-N	-2	3	330.336	3.020	40	30		EGEBHL
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409075865	457593248	/nfs/dbraw/zinc/59/32/48/457593248.db2.gz	YRLAPFDFNNKQIP-QGMBQPNBSA-N	-2	3	335.743	3.434	40	30		EGEBHL
C=CCc1cc(/C=N/c2ccc([O-])cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408857957	457589068	/nfs/dbraw/zinc/58/90/68/457589068.db2.gz	QQPCADLSASNENL-RGVLZGJSSA-N	-2	3	341.363	3.343	40	30		EGEBHL
O=C([O-])c1ccc(NN=Cc2cc(Br)ccc2[O-])cc1	ZINC000005344418	452861083	/nfs/dbraw/zinc/86/10/83/452861083.db2.gz	XHEPXSZOMOOKPJ-LZYBPNLTSA-N	-2	3	335.157	3.299	40	30		EGEBHL
CCCCS(=O)(=O)[N-]c1ccccc1/C(=N/[O-])c1ccccc1	ZINC000005729268	520942125	/nfs/dbraw/zinc/94/21/25/520942125.db2.gz	FJGSJPQCAYPVAV-ISLYRVAYSA-N	-2	3	332.425	3.455	40	30		EGEBHL
COc1cc(OC)c(C(=O)/C=C\c2ccccc2[O-])c([O-])c1OC	ZINC000017148434	453630315	/nfs/dbraw/zinc/63/03/15/453630315.db2.gz	NOXIUTJZGRBUFK-HJWRWDBZSA-N	-2	3	330.336	3.020	40	30		EGEBHL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2[O-])c1	ZINC000006055697	452917509	/nfs/dbraw/zinc/91/75/09/452917509.db2.gz	SJHXZSGHGZHYNR-RQZCQDPDSA-N	-2	3	326.381	3.210	40	30		EGEBHL
C=CCc1cc(/C=N\c2ccccc2[O-])cc(OC)c1OCC(=O)[O-]	ZINC000408858010	457588809	/nfs/dbraw/zinc/58/88/09/457588809.db2.gz	RAYMPNUOHZJJNP-JAIQZWGSSA-N	-2	3	341.363	3.343	40	30		EGEBHL