smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c([O-])ccc(Cl)c1CC(=O)[O-]	ZINC000307387232	352547416	/nfs/dbraw/zinc/54/74/16/352547416.db2.gz	MKTUFACIMITCGC-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1cc(C(F)F)cc([O-])c1CC(=O)[O-]	ZINC000396154347	344626088	/nfs/dbraw/zinc/62/60/88/344626088.db2.gz	FRFUHWZWKJMFGQ-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1c(CC(=O)[O-])cc([O-])cc1C(F)F	ZINC000396169984	344631016	/nfs/dbraw/zinc/63/10/16/344631016.db2.gz	ZSQLFPIUKILBOR-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1cc([O-])cc(Cl)c1CC(=O)[O-]	ZINC000307431173	345787222	/nfs/dbraw/zinc/78/72/22/345787222.db2.gz	LCSMHKLSHOZRGT-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1cc(Cl)c(CC(=O)[O-])cc1[O-]	ZINC000307168355	345101137	/nfs/dbraw/zinc/10/11/37/345101137.db2.gz	VANDYMQJWMDMGF-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c([O-])cc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000575391749	386964283	/nfs/dbraw/zinc/96/42/83/386964283.db2.gz	HSEKRGBTIDBTLA-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc([O-])c(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000514272855	343649811	/nfs/dbraw/zinc/64/98/11/343649811.db2.gz	GEUQUJAPMCVGGS-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc(C(F)F)c(CC(=O)[O-])cc1[O-]	ZINC000396135556	344613127	/nfs/dbraw/zinc/61/31/27/344613127.db2.gz	IQWGDXWBSPRJSG-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1c(C(=O)[O-])ccc([O-])c1C(F)F	ZINC000396162335	344634340	/nfs/dbraw/zinc/63/43/40/344634340.db2.gz	LEHVGKHVOSAQIR-UHFFFAOYSA-N	-2	1	213.139	1.900	10	30		BDEEML
C=C[C@H](Sc1ncc(C)c(=O)[n-]1)C(=O)[O-]	ZINC000389749517	972244135	/nfs/dbraw/zinc/24/41/35/972244135.db2.gz	YLVMGQBBYXJUSF-LURJTMIESA-N	-2	1	226.257	1.222	10	30		BDEEML
N#Cc1ccc([O-])c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575391851	386964730	/nfs/dbraw/zinc/96/47/30/386964730.db2.gz	RPMHDQSJOJBMPQ-UHFFFAOYSA-N	-2	1	247.128	1.861	10	30		BDEEML
N#Cc1c(Cl)ccc([O-])c1CC(=O)[O-]	ZINC000307511488	352631768	/nfs/dbraw/zinc/63/17/68/352631768.db2.gz	PCJUGVMDILRXOI-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1cc(C(F)(F)F)cc(CC(=O)[O-])c1[O-]	ZINC000575391977	388598066	/nfs/dbraw/zinc/59/80/66/388598066.db2.gz	JEHVVNOACCZFKT-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1c([O-])cc(CC(=O)[O-])cc1Cl	ZINC000306919242	344477664	/nfs/dbraw/zinc/47/76/64/344477664.db2.gz	KCMVIJSMVSCUGD-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c([O-])cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272147	343647711	/nfs/dbraw/zinc/64/77/11/343647711.db2.gz	FREDUWITJVRSPS-UHFFFAOYSA-N	-2	1	247.128	1.861	10	30		BDEEML
N#Cc1c(CC(=O)[O-])ccc([O-])c1C(F)F	ZINC000396164305	344635375	/nfs/dbraw/zinc/63/53/75/344635375.db2.gz	RLUQEQNMQLRVCZ-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1c(CC(=O)[O-])cc([O-])cc1C(F)(F)F	ZINC000575392017	386963434	/nfs/dbraw/zinc/96/34/34/386963434.db2.gz	LKIPRLOLYLNDEZ-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc(Cl)cc(CC(=O)[O-])c1[O-]	ZINC000307510579	352628451	/nfs/dbraw/zinc/62/84/51/352628451.db2.gz	OMYVGBCMMATQMJ-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c([O-])ccc(Br)c1C(=O)[O-]	ZINC000306259154	353000436	/nfs/dbraw/zinc/00/04/36/353000436.db2.gz	ZTVSNZRWDRLVIX-UHFFFAOYSA-N	-2	1	242.028	1.725	10	30		BDEEML
N#Cc1c([O-])c(CC(=O)[O-])ccc1OC(F)F	ZINC000575386490	386949403	/nfs/dbraw/zinc/94/94/03/386949403.db2.gz	ULYZPLVUQTUQTF-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1cc(CC(=O)[O-])c(C(F)(F)F)cc1[O-]	ZINC000575392384	386963965	/nfs/dbraw/zinc/96/39/65/386963965.db2.gz	XJXQJHJMKIPRNW-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1c([O-])ccc(CC(=O)[O-])c1C(F)(F)F	ZINC000575391997	386964792	/nfs/dbraw/zinc/96/47/92/386964792.db2.gz	KJQOJQXKAFITOK-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1ccc(OC(F)F)c(CC(=O)[O-])c1[O-]	ZINC000575386335	386949561	/nfs/dbraw/zinc/94/95/61/386949561.db2.gz	PJQQMWWXNKRIHR-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1c(OC(F)F)cc([O-])cc1C(=O)[O-]	ZINC000396166042	344635881	/nfs/dbraw/zinc/63/58/81/344635881.db2.gz	SZIGGQQTZILBRD-UHFFFAOYSA-N	-2	1	229.138	1.563	10	30		BDEEML
O=C1c2cccc(O)c2C(=O)C(O)=C1[O-]	ZINC000032221047	188357809	/nfs/dbraw/zinc/35/78/09/188357809.db2.gz	WUAYQLIIWNMHTP-UHFFFAOYSA-N	-2	1	206.153	1.099	10	30		BDEEML
N#Cc1c([O-])cc(CC(=O)[O-])cc1C(F)F	ZINC000396138149	344614220	/nfs/dbraw/zinc/61/42/20/344614220.db2.gz	QHWNMHHRDDMOFQ-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1c(C(=O)[O-])cc([O-])cc1C(F)(F)F	ZINC000396160154	344633185	/nfs/dbraw/zinc/63/31/85/344633185.db2.gz	MFCFGKNTELWDES-UHFFFAOYSA-N	-2	1	231.129	1.981	10	30		BDEEML
N#Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1[O-]	ZINC000575391662	386964014	/nfs/dbraw/zinc/96/40/14/386964014.db2.gz	CFCFSNPJFRSUOJ-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc([O-])cc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514273128	344911465	/nfs/dbraw/zinc/91/14/65/344911465.db2.gz	XNYLGIOZXYJOQP-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
CCc1cc(C(=O)[O-])c(=O)c2cn(C)[n-]c1-2	ZINC000211830796	385696372	/nfs/dbraw/zinc/69/63/72/385696372.db2.gz	NYCXABDGPAKDGS-ZCFIWIBFSA-N	-2	1	220.228	1.121	10	30		BDEEML
N#Cc1ccc([O-])c(CC(=O)[O-])c1OC(F)F	ZINC000575386082	388458568	/nfs/dbraw/zinc/45/85/68/388458568.db2.gz	KAVTVRWUOZHHTN-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1c([O-])cc(C(=O)[O-])cc1C(F)(F)F	ZINC000396152972	344625181	/nfs/dbraw/zinc/62/51/81/344625181.db2.gz	NRTKPJVVUJRQQD-UHFFFAOYSA-N	-2	1	231.129	1.981	10	30		BDEEML
N#Cc1c([O-])ccc(C(F)(F)F)c1CC(=O)[O-]	ZINC000575392033	386964985	/nfs/dbraw/zinc/96/49/85/386964985.db2.gz	MKSCWHWCULFZMG-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc([O-])c(CC(=O)[O-])c(Cl)c1	ZINC000307169158	398000684	/nfs/dbraw/zinc/00/06/84/398000684.db2.gz	XCTKMFGBISRUPL-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c([O-])cc(C(F)F)cc1C(=O)[O-]	ZINC000396165902	344635989	/nfs/dbraw/zinc/63/59/89/344635989.db2.gz	OUIWKVNZFWEFET-UHFFFAOYSA-N	-2	1	213.139	1.900	10	30		BDEEML
N#Cc1cc(Cl)cc([O-])c1CC(=O)[O-]	ZINC000307328279	352024783	/nfs/dbraw/zinc/02/47/83/352024783.db2.gz	KCDHEOCTEPEWQP-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c(OC(F)(F)F)cc([O-])cc1C(=O)[O-]	ZINC000514272171	344910709	/nfs/dbraw/zinc/91/07/09/344910709.db2.gz	LWUVGJHJDHUINS-UHFFFAOYSA-N	-2	1	247.128	1.861	10	30		BDEEML
N#Cc1c([O-])cc(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274884	344911400	/nfs/dbraw/zinc/91/14/00/344911400.db2.gz	YTYFVECLANPNBL-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc([O-])cc(CC(=O)[O-])c1Cl	ZINC000306758870	350969087	/nfs/dbraw/zinc/96/90/87/350969087.db2.gz	UQEWLZGEEQVQDB-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
CCc1cc(C(=O)[O-])c(=O)c2cn(C)[n-]c1-2	ZINC000211830870	385696480	/nfs/dbraw/zinc/69/64/80/385696480.db2.gz	NYCXABDGPAKDGS-LURJTMIESA-N	-2	1	220.228	1.121	10	30		BDEEML
N#Cc1cc(C(F)(F)F)cc([O-])c1CC(=O)[O-]	ZINC000575392361	386964979	/nfs/dbraw/zinc/96/49/79/386964979.db2.gz	VUGQVNVYBFZXHB-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc(CC(=O)[O-])c(OC(F)F)cc1[O-]	ZINC000575386354	386949465	/nfs/dbraw/zinc/94/94/65/386949465.db2.gz	QTJBAFXYIDKAIV-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1c([O-])cc(OC(F)F)cc1CC(=O)[O-]	ZINC000575385928	388458467	/nfs/dbraw/zinc/45/84/67/388458467.db2.gz	GKQFFPTTZUPALI-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
CC(C)(C)c1cc(C(=O)[O-])c(C#N)c(=O)[n-]1	ZINC000084902737	344483446	/nfs/dbraw/zinc/48/34/46/344483446.db2.gz	TUKCRQRNNLFFMD-UHFFFAOYSA-N	-2	1	220.228	1.242	10	30		BDEEML
N#Cc1c(C(=O)[O-])cc([O-])cc1C(F)F	ZINC000396158983	344632468	/nfs/dbraw/zinc/63/24/68/344632468.db2.gz	HVIJLKQOBUFCMP-UHFFFAOYSA-N	-2	1	213.139	1.900	10	30		BDEEML
N#Cc1cc(OC(F)(F)F)c([O-])cc1C(=O)[O-]	ZINC000514272199	344910464	/nfs/dbraw/zinc/91/04/64/344910464.db2.gz	UNVFYODNJHICOV-UHFFFAOYSA-N	-2	1	247.128	1.861	10	30		BDEEML
C=C[C@@H](Sc1ncc(C)c(=O)[n-]1)C(=O)[O-]	ZINC000389749518	972244043	/nfs/dbraw/zinc/24/40/43/972244043.db2.gz	YLVMGQBBYXJUSF-ZCFIWIBFSA-N	-2	1	226.257	1.222	10	30		BDEEML
N#Cc1ccc(CC(=O)[O-])c([O-])c1C(F)F	ZINC000396134422	344612476	/nfs/dbraw/zinc/61/24/76/344612476.db2.gz	DDCGMNZMZRZBGJ-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1cc(Br)c([O-])[n-]c1=O	ZINC000096032592	181081994	/nfs/dbraw/zinc/08/19/94/181081994.db2.gz	RXQOSISJLCVABE-UHFFFAOYSA-N	-2	1	215.006	1.127	10	30		BDEEML
N#Cc1c(CC(=O)[O-])cc([O-])cc1OC(F)F	ZINC000514275341	344911213	/nfs/dbraw/zinc/91/12/13/344911213.db2.gz	WAYHLRBAAJSBIR-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1cc([O-])c(CC(=O)[O-])cc1Cl	ZINC000307546684	352648228	/nfs/dbraw/zinc/64/82/28/352648228.db2.gz	BOLAYRZMTUYBMX-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1cc(CC(=O)[O-])c([O-])c(OC(F)F)c1	ZINC000575386545	386949619	/nfs/dbraw/zinc/94/96/19/386949619.db2.gz	XUZRHDDZYLTUNQ-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
CC(C)c1cc(C(=O)[O-])c(C#N)c(=O)[n-]1	ZINC000084902767	344483406	/nfs/dbraw/zinc/48/34/06/344483406.db2.gz	ZYGBDLIMKOVILB-UHFFFAOYSA-N	-2	1	206.201	1.068	10	30		BDEEML
N#Cc1c([O-])ccc(C(=O)[O-])c1Br	ZINC000307527912	352634849	/nfs/dbraw/zinc/63/48/49/352634849.db2.gz	JSJLNWJBOGTHDS-UHFFFAOYSA-N	-2	1	242.028	1.725	10	30		BDEEML
N#Cc1ccc([O-])c(OC(F)F)c1CC(=O)[O-]	ZINC000575385861	386947291	/nfs/dbraw/zinc/94/72/91/386947291.db2.gz	BIYFQPVWEOSZPJ-UHFFFAOYSA-N	-2	1	243.165	1.492	10	30		BDEEML
N#Cc1cc([O-])c(CC(=O)[O-])c(C(F)F)c1	ZINC000396137432	344614085	/nfs/dbraw/zinc/61/40/85/344614085.db2.gz	OPWFBWNIUGUBGL-UHFFFAOYSA-N	-2	1	227.166	1.829	10	30		BDEEML
N#Cc1cc([O-])c(C(F)(F)F)cc1C(=O)[O-]	ZINC000396151094	344623882	/nfs/dbraw/zinc/62/38/82/344623882.db2.gz	BNWKEQUKENPRFN-UHFFFAOYSA-N	-2	1	231.129	1.981	10	30		BDEEML
N#Cc1cc(C(F)(F)F)c(C(=O)[O-])cc1[O-]	ZINC000396158840	344631912	/nfs/dbraw/zinc/63/19/12/344631912.db2.gz	WCIYKNDJOIRQRN-UHFFFAOYSA-N	-2	1	231.129	1.981	10	30		BDEEML
N#Cc1c([O-])cc(C(F)(F)F)cc1C(=O)[O-]	ZINC000396166375	344636444	/nfs/dbraw/zinc/63/64/44/344636444.db2.gz	UTRYGHDNEAWYCW-UHFFFAOYSA-N	-2	1	231.129	1.981	10	30		BDEEML
N#Cc1c([O-])ccc(CC(=O)[O-])c1Cl	ZINC000307530104	345806775	/nfs/dbraw/zinc/80/67/75/345806775.db2.gz	NAMNPKMUXBLLEN-UHFFFAOYSA-N	-2	1	211.604	1.544	10	30		BDEEML
N#Cc1c([O-])c(CC(=O)[O-])ccc1C(F)(F)F	ZINC000575392270	386964047	/nfs/dbraw/zinc/96/40/47/386964047.db2.gz	QHBZHHXEWBRARV-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML
N#Cc1cc(C(F)(F)F)c(CC(=O)[O-])cc1[O-]	ZINC000575391665	386964552	/nfs/dbraw/zinc/96/45/52/386964552.db2.gz	COXQRUOHQFERPJ-UHFFFAOYSA-N	-2	1	245.156	1.910	10	30		BDEEML