smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[C@@H](OCCP(=O)([O-])[O-])C(=C)C	ZINC001224601027	973789308	/nfs/dbraw/zinc/78/93/08/973789308.db2.gz	DBTMNYWIZDMBBI-SNVBAGLBSA-N	-2	3	234.232	2.092	20	30		BEEDHL
C=C[C@H](CCCCC)OCCP(=O)([O-])[O-]	ZINC001224605755	973795271	/nfs/dbraw/zinc/79/52/71/973795271.db2.gz	KFQWSZUAFYMBQT-SNVBAGLBSA-N	-2	3	236.248	2.316	20	30		BEEDHL
C[C@H](CC(=O)[O-])/N=C/c1cc(Cl)ccc1[O-]	ZINC001599888076	984660361	/nfs/dbraw/zinc/66/03/61/984660361.db2.gz	HPZRYUWEYPGZTR-NRLRWNIESA-N	-2	3	241.674	2.328	20	30		BEEDHL
O=C(/C=C\c1nccs1)c1ccc([O-])cc1[O-]	ZINC000757468358	585337938	/nfs/dbraw/zinc/33/79/38/585337938.db2.gz	SWEQCGIQNQKUQI-ARJAWSKDSA-N	-2	3	247.275	2.450	20	30		BEEDHL
CCCCCCN([O-])C(=O)CCCCC(=O)[O-]	ZINC001589645439	982844536	/nfs/dbraw/zinc/84/45/36/982844536.db2.gz	BIQCOFTWJQPXAF-UHFFFAOYSA-N	-2	3	245.319	2.430	20	30		BEEDHL
C=CC[C@@H](C=C)OCCCCP(=O)([O-])[O-]	ZINC001225018551	974144113	/nfs/dbraw/zinc/14/41/13/974144113.db2.gz	AKJBSZKRSBZCNX-SNVBAGLBSA-N	-2	3	234.232	2.092	20	30		BEEDHL
CC#CC[C@@H](CC)OCCCCP(=O)([O-])[O-]	ZINC001225019540	974148482	/nfs/dbraw/zinc/14/84/82/974148482.db2.gz	YFYIBQYGULEBIM-LLVKDONJSA-N	-2	3	248.259	2.153	20	30		BEEDHL
O=C([O-])c1ccc(-c2ccccc2C=N[O-])cn1	ZINC001242337897	983584306	/nfs/dbraw/zinc/58/43/06/983584306.db2.gz	RAOAFSKKFCWIAT-UHFFFAOYSA-N	-2	3	242.234	2.255	20	30		BEEDHL
CCCON=C(C)c1cc(C(=O)[O-])ccc1[O-]	ZINC000842555215	588042188	/nfs/dbraw/zinc/04/21/88/588042188.db2.gz	ANCDTKQLFFLMNK-UHFFFAOYSA-N	-2	3	237.255	2.241	20	30		BEEDHL
O=C([O-])CCC/N=C/c1cc(Cl)ccc1[O-]	ZINC001601991071	978879530	/nfs/dbraw/zinc/87/95/30/978879530.db2.gz	UYYIPCZJGVUBLD-NTUHNPAUSA-N	-2	3	241.674	2.329	20	30		BEEDHL
C=CC[C@H](CCCC)OCCP(=O)([O-])[O-]	ZINC001224603168	964797919	/nfs/dbraw/zinc/79/79/19/964797919.db2.gz	VXOCVSSKXHUBMV-SNVBAGLBSA-N	-2	3	236.248	2.316	20	30		BEEDHL
C[C@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000736587030	585006913	/nfs/dbraw/zinc/00/69/13/585006913.db2.gz	SWTUYBSBOXMIBA-NRLRWNIESA-N	-2	3	241.674	2.185	20	30		BEEDHL
N#Cc1cnoc1[N-]c1c(F)ccc([O-])c1F	ZINC001175262347	977361784	/nfs/dbraw/zinc/36/17/84/977361784.db2.gz	FDBDXEJHHJDDPY-UHFFFAOYSA-N	-2	3	237.165	2.274	20	30		BEEDHL
CCCCN([O-])C(=O)c1c([O-])cc(F)cc1F	ZINC000904208666	584847419	/nfs/dbraw/zinc/84/74/19/584847419.db2.gz	FZKLWOGCNVNPLB-UHFFFAOYSA-N	-2	3	245.225	2.302	20	30		BEEDHL
CCCCN([O-])C(=O)c1c([O-])cccc1F	ZINC000904212960	584855206	/nfs/dbraw/zinc/85/52/06/584855206.db2.gz	ZUGANZDIEKGJSS-UHFFFAOYSA-N	-2	3	227.235	2.163	20	30		BEEDHL
CCCCN([O-])C(=O)c1ccc(F)cc1[O-]	ZINC000904212852	584855412	/nfs/dbraw/zinc/85/54/12/584855412.db2.gz	VCWKLHQKEFLLEK-UHFFFAOYSA-N	-2	3	227.235	2.163	20	30		BEEDHL
CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000818261563	586882975	/nfs/dbraw/zinc/88/29/75/586882975.db2.gz	QVUCSTJPUWTCLK-UWZPUTRXSA-N	-2	3	241.674	2.328	20	30		BEEDHL
O=C(/C=C/c1cncs1)c1ccc([O-])cc1[O-]	ZINC000130114911	591438057	/nfs/dbraw/zinc/43/80/57/591438057.db2.gz	CXKMWWAWTQAJPU-DUXPYHPUSA-N	-2	3	247.275	2.450	20	30		BEEDHL
C=C[C@@H](CCC)OCCCCP(=O)([O-])[O-]	ZINC001225018802	1167648048	/nfs/dbraw/zinc/64/80/48/1167648048.db2.gz	HYBLKXLZRSZYER-JTQLQIEISA-N	-2	3	236.248	2.316	20	30		BEEDHL
N#Cc1cnoc1[N-]c1ccc(C(=O)[O-])s1	ZINC001174805209	977101884	/nfs/dbraw/zinc/10/18/84/977101884.db2.gz	OEVSVWYOIVKKTD-UHFFFAOYSA-N	-2	3	235.224	2.050	20	30		BEEDHL
CCCCN([O-])C(=O)c1cc(F)ccc1[O-]	ZINC000904210459	584848216	/nfs/dbraw/zinc/84/82/16/584848216.db2.gz	QSFXDUIHXIPOPW-UHFFFAOYSA-N	-2	3	227.235	2.163	20	30		BEEDHL
C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000736587031	585006820	/nfs/dbraw/zinc/00/68/20/585006820.db2.gz	SWTUYBSBOXMIBA-PQHBYJLHSA-N	-2	3	241.674	2.185	20	30		BEEDHL
O=C(/C=C\c1cccnc1)c1ccc([O-])cc1[O-]	ZINC000210009020	590760919	/nfs/dbraw/zinc/76/09/19/590760919.db2.gz	CRBUHXXNTMIBAE-UTCJRWHESA-N	-2	3	241.246	2.389	20	30		BEEDHL
CC[C@H](C)[C@H](/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000820425354	587048049	/nfs/dbraw/zinc/04/80/49/587048049.db2.gz	CSFOQUQKYVXUTP-VUEUQYIESA-N	-2	3	235.283	2.310	20	30		BEEDHL
C=C[C@H](CCC)OCCCCP(=O)([O-])[O-]	ZINC001225018803	1167648076	/nfs/dbraw/zinc/64/80/76/1167648076.db2.gz	HYBLKXLZRSZYER-SNVBAGLBSA-N	-2	3	236.248	2.316	20	30		BEEDHL
C=C[C@@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224601721	973788569	/nfs/dbraw/zinc/78/85/69/973788569.db2.gz	KATBHKJKIIVFKS-LLVKDONJSA-N	-2	3	242.211	2.108	20	30		BEEDHL
C#C[C@H](CCCC)OCCCCP(=O)([O-])[O-]	ZINC001225019041	974148664	/nfs/dbraw/zinc/14/86/64/974148664.db2.gz	PMIWTFCBFPALKB-LLVKDONJSA-N	-2	3	248.259	2.153	20	30		BEEDHL
C[C@H](/N=C\c1c([O-])ccc2ccccc21)C(=O)[O-]	ZINC000738217125	585041658	/nfs/dbraw/zinc/04/16/58/585041658.db2.gz	BXWYCOXWZLDUFP-AVPSXBMNSA-N	-2	3	243.262	2.437	20	30		BEEDHL
CC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000828901279	587470484	/nfs/dbraw/zinc/47/04/84/587470484.db2.gz	QVUCSTJPUWTCLK-FVNYMESBSA-N	-2	3	241.674	2.328	20	30		BEEDHL
C#C[C@H](CC(C)C)OCCCCP(=O)([O-])[O-]	ZINC001225018930	1167648098	/nfs/dbraw/zinc/64/80/98/1167648098.db2.gz	LUTLPYLYPUBYNJ-LLVKDONJSA-N	-2	3	248.259	2.009	20	30		BEEDHL
C=C(C)C[C@H](OCCP(=O)([O-])[O-])C(=C)C	ZINC001224601026	973786281	/nfs/dbraw/zinc/78/62/81/973786281.db2.gz	DBTMNYWIZDMBBI-JTQLQIEISA-N	-2	3	234.232	2.092	20	30		BEEDHL
C=CCC(CC=C)OCCCCP(=O)([O-])[O-]	ZINC001225023543	974148730	/nfs/dbraw/zinc/14/87/30/974148730.db2.gz	XUYCXPKEQKCHOA-UHFFFAOYSA-N	-2	3	248.259	2.482	20	30		BEEDHL
O=C([O-])c1cncc(-c2ccccc2C=N[O-])c1	ZINC001241802896	983055897	/nfs/dbraw/zinc/05/58/97/983055897.db2.gz	SGQJSDOKKIFWLD-UHFFFAOYSA-N	-2	3	242.234	2.255	20	30		BEEDHL
CCCCN([O-])C(=O)c1cccc(F)c1[O-]	ZINC000900677744	584340942	/nfs/dbraw/zinc/34/09/42/584340942.db2.gz	DJKUKQPTPWPAKB-UHFFFAOYSA-N	-2	3	227.235	2.163	20	30		BEEDHL
Cc1cc(=O)c(C#N)c(O[C@@H](C)C2=CC=C[CH]2)[n-]1	ZINC001225469472	974513882	/nfs/dbraw/zinc/51/38/82/974513882.db2.gz	KQFGQDDKSITGIX-JTQLQIEISA-N	-2	3	241.270	2.435	20	30		BEEDHL
CCCCN([O-])C(=O)c1c(F)ccc([O-])c1F	ZINC000904213223	584854994	/nfs/dbraw/zinc/85/49/94/584854994.db2.gz	LXSGBMYALGKZGB-UHFFFAOYSA-N	-2	3	245.225	2.302	20	30		BEEDHL
CC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000828901251	587470709	/nfs/dbraw/zinc/47/07/09/587470709.db2.gz	QVUCSTJPUWTCLK-CVSYOPMASA-N	-2	3	241.674	2.328	20	30		BEEDHL
C=C[C@@H](CCCCC)OCCP(=O)([O-])[O-]	ZINC001224605754	973790418	/nfs/dbraw/zinc/79/04/18/973790418.db2.gz	KFQWSZUAFYMBQT-JTQLQIEISA-N	-2	3	236.248	2.316	20	30		BEEDHL
CC#CC[C@H](CC)OCCCCP(=O)([O-])[O-]	ZINC001225019541	974149785	/nfs/dbraw/zinc/14/97/85/974149785.db2.gz	YFYIBQYGULEBIM-NSHDSACASA-N	-2	3	248.259	2.153	20	30		BEEDHL
C=CC[C@@H](CCCC)OCCP(=O)([O-])[O-]	ZINC001224603166	964800064	/nfs/dbraw/zinc/80/00/64/964800064.db2.gz	VXOCVSSKXHUBMV-JTQLQIEISA-N	-2	3	236.248	2.316	20	30		BEEDHL
C=C[C@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224601723	973786102	/nfs/dbraw/zinc/78/61/02/973786102.db2.gz	KATBHKJKIIVFKS-NSHDSACASA-N	-2	3	242.211	2.108	20	30		BEEDHL
CCCCN([O-])C(=O)c1cc(F)cc(F)c1[O-]	ZINC000900681730	584340709	/nfs/dbraw/zinc/34/07/09/584340709.db2.gz	GJBIRESXEAYQAL-UHFFFAOYSA-N	-2	3	245.225	2.302	20	30		BEEDHL
CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000818261561	586883002	/nfs/dbraw/zinc/88/30/02/586883002.db2.gz	QVUCSTJPUWTCLK-JHFYRWCBSA-N	-2	3	241.674	2.328	20	30		BEEDHL
C[C@H](CC(=O)[O-])/N=C\c1cc(Cl)ccc1[O-]	ZINC001599888075	984660397	/nfs/dbraw/zinc/66/03/97/984660397.db2.gz	HPZRYUWEYPGZTR-NCEFMCJXSA-N	-2	3	241.674	2.328	20	30		BEEDHL
O=C(/C=C/c1nccs1)c1ccc([O-])cc1[O-]	ZINC000757468366	585337978	/nfs/dbraw/zinc/33/79/78/585337978.db2.gz	SWEQCGIQNQKUQI-ONEGZZNKSA-N	-2	3	247.275	2.450	20	30		BEEDHL
CC(=NOCC1CC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC000814241167	586619214	/nfs/dbraw/zinc/61/92/14/586619214.db2.gz	DYKODQJXLCWJDG-UHFFFAOYSA-N	-2	3	249.266	2.241	20	30		BEEDHL
C=CC[C@H](C=C)OCCCCP(=O)([O-])[O-]	ZINC001225018550	974145872	/nfs/dbraw/zinc/14/58/72/974145872.db2.gz	AKJBSZKRSBZCNX-JTQLQIEISA-N	-2	3	234.232	2.092	20	30		BEEDHL
O=C([O-])c1ccc(-c2cccc(/C=N/[O-])c2)cn1	ZINC001242337025	983582942	/nfs/dbraw/zinc/58/29/42/983582942.db2.gz	VCURJNHHICOERV-VIZOYTHASA-N	-2	3	242.234	2.255	20	30		BEEDHL
C#C[C@@H](CCCC)OCCCCP(=O)([O-])[O-]	ZINC001225019042	974146900	/nfs/dbraw/zinc/14/69/00/974146900.db2.gz	PMIWTFCBFPALKB-NSHDSACASA-N	-2	3	248.259	2.153	20	30		BEEDHL
O=C([O-])c1cncc(-c2cccc(/C=N/[O-])c2)c1	ZINC001241802069	983057231	/nfs/dbraw/zinc/05/72/31/983057231.db2.gz	AZDNRYRCUWZIPL-GIDUJCDVSA-N	-2	3	242.234	2.255	20	30		BEEDHL
CCCCCCN([O-])C(=O)CCCC(=O)[O-]	ZINC001573842706	992736304	/nfs/dbraw/zinc/73/63/04/992736304.db2.gz	CZPWOOCFQWYERL-UHFFFAOYSA-N	-2	3	231.292	2.039	20	30		BEEDHL
C#C[C@@H](CC(C)C)OCCCCP(=O)([O-])[O-]	ZINC001225018931	1167648110	/nfs/dbraw/zinc/64/81/10/1167648110.db2.gz	LUTLPYLYPUBYNJ-NSHDSACASA-N	-2	3	248.259	2.009	20	30		BEEDHL
Cc1cc(=O)c(C#N)c(O[C@H](C)C2=CC=C[CH]2)[n-]1	ZINC001225469473	974514251	/nfs/dbraw/zinc/51/42/51/974514251.db2.gz	KQFGQDDKSITGIX-SNVBAGLBSA-N	-2	3	241.270	2.435	20	30		BEEDHL
O=C([O-])C1(C/N=C/c2ccccc2[O-])CCCC1	ZINC000833173905	587700772	/nfs/dbraw/zinc/70/07/72/587700772.db2.gz	IXQASRMEDFUJGS-OQLLNIDSSA-N	-2	3	247.294	2.456	20	30		BEEDHL