smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(S(=O)(=O)[N-]c2ccccc2/C(C)=N\[O-])cc1	ZINC000005260035	181223480	/nfs/dbraw/zinc/22/34/80/181223480.db2.gz	DITJMTMAGYLDJN-ATVHPVEESA-N	-2	3	318.398	3.248	40	30		DGEBHL
COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cc(OC)c1[O-]	ZINC000016159383	182036162	/nfs/dbraw/zinc/03/61/62/182036162.db2.gz	HGASVACQEFKUBG-HWKANZROSA-N	-2	3	318.300	3.150	40	30		DGEBHL
O=C([O-])c1ccc(COc2ccc(/C=N/[O-])cc2Cl)cc1	ZINC000409066450	434595961	/nfs/dbraw/zinc/59/59/61/434595961.db2.gz	OSQXNMRLUFNSFL-CAOOACKPSA-N	-2	3	305.717	3.425	40	30		DGEBHL
COc1ccc(/C=C/C(=O)c2c([O-])cc(OC)cc2[O-])cc1	ZINC000004252563	181088512	/nfs/dbraw/zinc/08/85/12/181088512.db2.gz	NXHNEWMDVUHUCV-VMPITWQZSA-N	-2	3	300.310	3.011	40	30		DGEBHL
[O-]c1cc(O)ccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001307728	431220849	/nfs/dbraw/zinc/22/08/49/431220849.db2.gz	FZOSBVTXMFUPRU-SXGWCWSVSA-N	-2	3	318.402	3.282	40	30		DGEBHL
COc1cccc(/C=N/c2ccc([O-])cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409238262	434597501	/nfs/dbraw/zinc/59/75/01/434597501.db2.gz	WOPODBOJVZOGAI-VDCVXVNISA-N	-2	3	315.325	3.003	40	30		DGEBHL
COc1cc([O-])c(C(=O)/C=C\c2ccccc2)c([O-])c1OC	ZINC000017060877	182074078	/nfs/dbraw/zinc/07/40/78/182074078.db2.gz	KVDNSLPRNTZIKF-HJWRWDBZSA-N	-2	3	300.310	3.011	40	30	biogenic,in-vitro	DGEBHL
C/C(=N\[O-])c1sc(-c2nc(C)c(/C(C)=N\[O-])s2)nc1C	ZINC000017211667	182079818	/nfs/dbraw/zinc/07/98/18/182079818.db2.gz	CGLXPXSSJZXUCA-BSHIDLADSA-N	-2	3	310.404	3.280	40	30		DGEBHL
CCCCCCCCCCCCC1C(=O)[N-]C(=S)N=C1[O-]	ZINC000104101754	432014911	/nfs/dbraw/zinc/01/49/11/432014911.db2.gz	MDXQRMWWPYCMJE-UHFFFAOYSA-N	-2	3	312.479	3.445	40	30		DGEBHL
[O-]/N=C(/Cc1ccccc1)CC([O-])(C(F)(F)F)C(F)(F)F	ZINC000017000044	431612440	/nfs/dbraw/zinc/61/24/40/431612440.db2.gz	CSKPREQAWKWFCQ-OCKHKDLRSA-N	-2	3	315.213	3.305	40	30		DGEBHL
COc1ccc(C([O-])=CC(=O)c2ccccc2[O-])cc1OC	ZINC000103643047	432011927	/nfs/dbraw/zinc/01/19/27/432011927.db2.gz	TUFUMNLULCIVHB-UVTDQMKNSA-N	-2	3	300.310	3.191	40	30		DGEBHL
COc1ccc(/C=C\C(=O)c2c([O-])cc(OC)cc2[O-])cc1	ZINC000111431065	431223711	/nfs/dbraw/zinc/22/37/11/431223711.db2.gz	NXHNEWMDVUHUCV-YVMONPNESA-N	-2	3	300.310	3.011	40	30		DGEBHL
CCn1c(=O)c(/C=N/c2ccccc2[O-])c([O-])c2ccccc21	ZINC000103461979	432010186	/nfs/dbraw/zinc/01/01/86/432010186.db2.gz	KCAJRNUDPXGSHF-YBFXNURJSA-N	-2	3	308.337	3.183	40	30		DGEBHL
C/C(=N\c1cc(C)ccc1[O-])c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362606	431981826	/nfs/dbraw/zinc/98/18/26/431981826.db2.gz	ZUNWUMASWMGJMP-UDWIEESQSA-N	-2	3	322.364	3.399	40	30		DGEBHL
[O-]/N=C(/CC([O-])(C(F)(F)F)C(F)(F)F)c1cccs1	ZINC000016981519	331571738	/nfs/dbraw/zinc/57/17/38/331571738.db2.gz	ITGUSLGHWMHJRN-BNCCVWRVSA-N	-2	3	307.215	3.172	40	30		DGEBHL
C/C(=N/[O-])c1sc(-c2nc(C)c(/C(C)=N\[O-])s2)nc1C	ZINC000018086721	182093014	/nfs/dbraw/zinc/09/30/14/182093014.db2.gz	CGLXPXSSJZXUCA-DUGOVBPYSA-N	-2	3	310.404	3.280	40	30		DGEBHL
COc1cc(/C=N/c2ccc([O-])cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409014692	434596249	/nfs/dbraw/zinc/59/62/49/434596249.db2.gz	YBMYWVQDPGAYCR-VDCVXVNISA-N	-2	3	315.325	3.003	40	30		DGEBHL
COc1cc(/C=N/c2ccc([O-])cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409014690	434595371	/nfs/dbraw/zinc/59/53/71/434595371.db2.gz	YBMYWVQDPGAYCR-HPAYWCODSA-N	-2	3	315.325	3.003	40	30		DGEBHL
CCCCCCCCCCCCN(CC(=O)[O-])CC(=O)[O-]	ZINC000100069855	332207144	/nfs/dbraw/zinc/20/71/44/332207144.db2.gz	MFMNADOFNGXVAW-UHFFFAOYSA-N	-2	3	301.427	3.379	40	30		DGEBHL
COc1ccc(Br)c(/C=N/c2ncccc2[O-])c1[O-]	ZINC000003034056	431281714	/nfs/dbraw/zinc/28/17/14/431281714.db2.gz	UZGCJQJEECPJDX-FRKPEAEDSA-N	-2	3	323.146	3.015	40	30		DGEBHL
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(C)cc2[O-])c1[O-]	ZINC000254479305	432403864	/nfs/dbraw/zinc/40/38/64/432403864.db2.gz	QBBXXPGCMUMWIO-UHFFFAOYSA-N	-2	3	316.313	3.464	40	30		DGEBHL
COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c([O-])c1OC	ZINC000004252560	181088590	/nfs/dbraw/zinc/08/85/90/181088590.db2.gz	KVDNSLPRNTZIKF-CMDGGOBGSA-N	-2	3	300.310	3.011	40	30	biogenic,in-vitro	DGEBHL
O=C([O-])COc1ccc(/C=N/c2ccc([O-])cc2)cc1Cl	ZINC000408851032	434596237	/nfs/dbraw/zinc/59/62/37/434596237.db2.gz	USBAUHYZIFJEBQ-CAOOACKPSA-N	-2	3	305.717	3.260	40	30		DGEBHL
COc1cccc(/C=N\c2ccccc2[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409243545	434600515	/nfs/dbraw/zinc/60/05/15/434600515.db2.gz	SHPPOAZQRLWRIW-IPHDDYSGSA-N	-2	3	315.325	3.003	40	30		DGEBHL
[O-]/N=C(\Cc1ccccc1)CC([O-])(C(F)(F)F)C(F)(F)F	ZINC000104147365	432014632	/nfs/dbraw/zinc/01/46/32/432014632.db2.gz	CSKPREQAWKWFCQ-DJKKODMXSA-N	-2	3	315.213	3.305	40	30		DGEBHL
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(C)cc2[O-])c1[O-]	ZINC000016688241	182057243	/nfs/dbraw/zinc/05/72/43/182057243.db2.gz	QBBXXPGCMUMWIO-MFOYZWKCSA-N	-2	3	316.313	3.464	40	30		DGEBHL
[O-]/N=C(\CC([O-])(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000104302958	432016160	/nfs/dbraw/zinc/01/61/60/432016160.db2.gz	UQVOYAXWHHOBQI-QGMBQPNBSA-N	-2	3	301.186	3.111	40	30		DGEBHL
[O-]/N=C(/CC([O-])(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000005854459	181289865	/nfs/dbraw/zinc/28/98/65/181289865.db2.gz	UQVOYAXWHHOBQI-LSCVHKIXSA-N	-2	3	301.186	3.111	40	30		DGEBHL
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409071551	434594492	/nfs/dbraw/zinc/59/44/92/434594492.db2.gz	KCGCJJZXIXKSKU-VCHYOVAHSA-N	-2	3	315.325	3.171	40	30		DGEBHL
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Cl)c1[O-]	ZINC000032679248	522007232	/nfs/dbraw/zinc/00/72/32/522007232.db2.gz	NAZOXEVPTSQOIB-IUXPMGMMSA-N	-2	3	320.732	3.198	40	30		DGEBHL
CCn1c(=O)c(/C=N/c2cc(C)ccc2[O-])c([O-])c2ccccc21	ZINC000104835021	432017608	/nfs/dbraw/zinc/01/76/08/432017608.db2.gz	IYSQWUQRUDALEU-RGVLZGJSSA-N	-2	3	322.364	3.492	40	30		DGEBHL
O=C([O-])COc1ccc(/C=N\c2ccccc2[O-])cc1Cl	ZINC000408844073	434593096	/nfs/dbraw/zinc/59/30/96/434593096.db2.gz	GUQMBNDSXQVTGD-IUXPMGMMSA-N	-2	3	305.717	3.260	40	30		DGEBHL
C/C(=N\c1ccccc1[O-])c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362647	431981713	/nfs/dbraw/zinc/98/17/13/431981713.db2.gz	CPWJVNXYNLBCHF-YBFXNURJSA-N	-2	3	308.337	3.090	40	30		DGEBHL
CCOc1cc([N+](=O)[O-])cc(/C=N/c2c(C)cccc2[O-])c1[O-]	ZINC000003033959	431280290	/nfs/dbraw/zinc/28/02/90/431280290.db2.gz	ZJNFIBTTYRJKBQ-RQZCQDPDSA-N	-2	3	316.313	3.464	40	30		DGEBHL
Cc1cc2c([n-]c(=S)n(N=Cc3ccccc3[O-])c2=O)s1	ZINC000008549568	431403994	/nfs/dbraw/zinc/40/39/94/431403994.db2.gz	PDJCYTYXLKVCEE-VIZOYTHASA-N	-2	3	317.395	3.017	40	30		DGEBHL
[O-]/N=C(\CC([O-])(C(F)(F)F)C(F)(F)F)c1cccs1	ZINC000102940591	432000628	/nfs/dbraw/zinc/00/06/28/432000628.db2.gz	ITGUSLGHWMHJRN-FZSIALSZSA-N	-2	3	307.215	3.172	40	30		DGEBHL
COc1cccc(/C=N/c2ccc([O-])cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409238259	434597906	/nfs/dbraw/zinc/59/79/06/434597906.db2.gz	WOPODBOJVZOGAI-HPAYWCODSA-N	-2	3	315.325	3.003	40	30		DGEBHL
C/C(=N\[O-])c1sc(-c2nc(C)c(/C(C)=N/[O-])s2)nc1C	ZINC000104292007	432016605	/nfs/dbraw/zinc/01/66/05/432016605.db2.gz	CGLXPXSSJZXUCA-BGPOSVGRSA-N	-2	3	310.404	3.280	40	30		DGEBHL
COc1cccc(/C=N\c2ccccc2[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409243546	434599332	/nfs/dbraw/zinc/59/93/32/434599332.db2.gz	SHPPOAZQRLWRIW-TZQXVGBESA-N	-2	3	315.325	3.003	40	30		DGEBHL