smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(Oc2ccc(/C(C)=N/OC)cc2F)c([O-])c1	ZINC000095573335	185380530	/nfs/dbraw/zinc/38/05/30/185380530.db2.gz	IXXLGRHTRPLUNL-YBFXNURJSA-N	-1	3	303.333	4.256	1	30		DIEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2OC(C)=O)c1	ZINC000070455203	290928077	/nfs/dbraw/zinc/92/80/77/290928077.db2.gz	VYHLYJHFTZBZOZ-UHFFFAOYSA-N	-1	3	308.377	4.442	1	30	biogenic,in-vitro	DIEFHM
CCc1ccc(O)c(/C(=N/[O-])c2ccc(Cl)c(Cl)c2)c1	ZINC000028760045	517847549	/nfs/dbraw/zinc/84/75/49/517847549.db2.gz	OKPGYOFSSWLGME-OBGWFSINSA-N	-1	3	310.180	4.488	1	30		DIEFHM
CC(=O)N([O-])[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C	ZINC000029571059	182571406	/nfs/dbraw/zinc/57/14/06/182571406.db2.gz	FIHAHFAEXHISQH-IBGZPJMESA-N	-1	3	313.397	4.200	1	30		DIEFHM
CCCCCCCCOC(=O)c1ccc([O-])c2ncccc12	ZINC000504659818	257141821	/nfs/dbraw/zinc/14/18/21/257141821.db2.gz	YKHNNZLMYRHIDM-UHFFFAOYSA-N	-1	3	301.386	4.458	1	30		DIEFHM
CCCCCCCCc1ccc(Oc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000003653587	181044449	/nfs/dbraw/zinc/04/44/49/181044449.db2.gz	USMZLBUVMIEXCW-UHFFFAOYSA-N	-1	3	316.401	4.171	1	30		DIEFHM
O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)N[O-]	ZINC000013553310	581102000	/nfs/dbraw/zinc/10/20/00/581102000.db2.gz	KASXKFPWIZYBSG-UHFFFAOYSA-N	-1	3	313.397	4.188	1	30	in-vivo	DIEFHM
CC(C)=C[C@@H]1C[C@H](C)c2c([O-])cc(C)c3c2C1=C(C)C(=O)C3=O	ZINC000003588348	181038097	/nfs/dbraw/zinc/03/80/97/181038097.db2.gz	JVQJPMIBFYBOEO-GXFFZTMASA-N	-1	3	310.393	4.329	1	30		DIEFHM
C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc([O-])c(F)cc4[C@H]3CC[C@@]21C	ZINC000013651792	181873865	/nfs/dbraw/zinc/87/38/65/181873865.db2.gz	MOCNWSDADFHRAW-BKRJIHRRSA-N	-1	3	316.416	4.305	1	30		DIEFHM
C=CCc1cc(-c2ccc([O-])c(CC=C)c2)c(=O)c2c[nH]oc1-2	ZINC000042921070	183318596	/nfs/dbraw/zinc/31/85/96/183318596.db2.gz	NBECPUSATIXGLI-UHFFFAOYSA-N	-1	3	307.349	4.363	1	30		DIEFHM
C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(F)c([O-])ccc4[C@H]3CC[C@@]21C	ZINC000013651793	181873773	/nfs/dbraw/zinc/87/37/73/181873773.db2.gz	RKPKTOAAFVDGCM-RXUQYVRZSA-N	-1	3	316.416	4.305	1	30		DIEFHM
CCN(CC)c1ccc(/C=N/c2cccnc2Cl)c([O-])c1	ZINC000102721445	193919977	/nfs/dbraw/zinc/91/99/77/193919977.db2.gz	HCJUYMLKHBNJKW-YBFXNURJSA-N	-1	3	303.793	4.037	1	30		DIEFHM
CCCc1cc([O-])c(Oc2ccc(C#N)cc2Cl)c(O)c1	ZINC000064553617	184299513	/nfs/dbraw/zinc/29/95/13/184299513.db2.gz	NUNRUTDTVCMDGA-UHFFFAOYSA-N	-1	3	303.745	4.368	1	30		DIEFHM
C=CCOC(=O)N1c2cc(Cl)ccc2[N-]C(=S)[C@@H]1CC	ZINC000013474531	181854172	/nfs/dbraw/zinc/85/41/72/181854172.db2.gz	INKMZHJQJIXEBM-NSHDSACASA-N	-1	3	310.806	4.001	1	30		DIEFHM
[O-]c1ccccc1/C=N/[C@@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000018129159	182093997	/nfs/dbraw/zinc/09/39/97/182093997.db2.gz	BCYPKVNJMLMPFO-VXTZTNHISA-N	-1	3	317.388	4.286	1	30		DIEFHM
CCc1ccc(-c2cc(=O)c3c(o2)C(C)(C)C(=O)C(C)=C3[O-])cc1	ZINC000040424752	183065038	/nfs/dbraw/zinc/06/50/38/183065038.db2.gz	VIGKTYLSGNBBLD-UHFFFAOYSA-N	-1	3	324.376	4.019	1	30		DIEFHM
CCc1ccc(-c2cc(=O)c3c(o2)C(C)(C)C([O-])=C(C)C3=O)cc1	ZINC000040424752	183065040	/nfs/dbraw/zinc/06/50/40/183065040.db2.gz	VIGKTYLSGNBBLD-UHFFFAOYSA-N	-1	3	324.376	4.019	1	30		DIEFHM
C=CCc1ccc(OC)c(-c2ccc([O-])c(-c3ccn(C)n3)c2)c1	ZINC000073257949	191297341	/nfs/dbraw/zinc/29/73/41/191297341.db2.gz	PUEVSMLDJYRZQS-UHFFFAOYSA-N	-1	3	320.392	4.197	1	30		DIEFHM
[O-]c1ccccc1/C=N/[C@@H](c1ccccc1)[C@@H](O)c1ccccc1	ZINC000018164313	182095922	/nfs/dbraw/zinc/09/59/22/182095922.db2.gz	BCYPKVNJMLMPFO-PPGLHRCHSA-N	-1	3	317.388	4.286	1	30		DIEFHM
COc1ccc(/C(=N/[O-])[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100338135	193798539	/nfs/dbraw/zinc/79/85/39/193798539.db2.gz	NLXXWGSPQSMEKT-PSZLUKMESA-N	-1	3	301.773	4.331	1	30		DIEFHM
CCCCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000043408937	183359370	/nfs/dbraw/zinc/35/93/70/183359370.db2.gz	WODIFPGOPHHDSJ-UHFFFAOYSA-N	-1	3	324.417	4.491	1	30		DIEFHM
CC/C(=N/[O-])c1ccc2[nH]c3c(c2c1)c(C)c([N+](=O)[O-])cc3C	ZINC000017218676	182079720	/nfs/dbraw/zinc/07/97/20/182079720.db2.gz	KGAIHAUUDGFXDP-UYRXBGFRSA-N	-1	3	311.341	4.434	1	30		DIEFHM
CC(C)c1cc2c(cc1[O-])[C@@]1(C=O)CCCC(C)(C)[C@@H]1CC2=O	ZINC000066112755	184390868	/nfs/dbraw/zinc/39/08/68/184390868.db2.gz	NFRKTUHCQSVVEY-ICSRJNTNSA-N	-1	3	314.425	4.365	1	30		DIEFHM
CC(=NNC([S-])=NCc1ccccc1)c1ccc(Cl)s1	ZINC000013686855	518459517	/nfs/dbraw/zinc/45/95/17/518459517.db2.gz	LPMLLEOMADJENW-LICLKQGHSA-N	-1	3	323.874	4.201	3	30		DIEFHM