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)c(Cl)ccc1CC(=O)[O-]	ZINC000307268754	353065115	/nfs/dbraw/zinc/06/51/15/353065115.db2.gz	LFSVPLOLVQLUFG-UHFFFAOYSA-N	-1	2	211.604	1.544	10	30		BDEELM
Cc1[nH]c(=O)c(C#N)c(C(=O)[O-])c1Cl	ZINC000409441251	369979562	/nfs/dbraw/zinc/97/95/62/369979562.db2.gz	OIZNIKDBORRJKM-UHFFFAOYSA-N	-1	2	212.592	1.319	10	30		BDEELM
N#Cc1cc(CC(=O)[O-])c(O)c(C(F)(F)F)c1	ZINC000575392005	386964943	/nfs/dbraw/zinc/96/49/43/386964943.db2.gz	KRTXFEFPUAYMID-UHFFFAOYSA-N	-1	2	245.156	1.910	10	30		BDEELM
O=C([O-])/C=C/C(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000036467953	383901590	/nfs/dbraw/zinc/90/15/90/383901590.db2.gz	SZTWXYIDDMYRFS-SNAWJCMRSA-N	-1	2	237.167	1.124	10	30	in-vitro	BDEELM
N#Cc1ccc(O)c(Cl)c1CC(=O)[O-]	ZINC000307340876	352089680	/nfs/dbraw/zinc/08/96/80/352089680.db2.gz	UICCDVGTGOUQKP-UHFFFAOYSA-N	-1	2	211.604	1.544	10	30		BDEELM
C#CCON=c1[nH]c(Cl)c(C(=O)[O-])s1	ZINC000307491070	343935747	/nfs/dbraw/zinc/93/57/47/343935747.db2.gz	GFUMJMIITIZPRV-UHFFFAOYSA-N	-1	2	232.648	1.471	10	30		BDEELM
N#Cc1cc(C(F)(F)F)c(O)cc1CC(=O)[O-]	ZINC000514275153	344911306	/nfs/dbraw/zinc/91/13/06/344911306.db2.gz	APHGHNALGAKQPN-UHFFFAOYSA-N	-1	2	245.156	1.910	10	30		BDEELM
N#Cc1ccc(Cl)c(O)c1CC(=O)[O-]	ZINC000307041784	351443788	/nfs/dbraw/zinc/44/37/88/351443788.db2.gz	QJBHBTGEKJADCM-UHFFFAOYSA-N	-1	2	211.604	1.544	10	30		BDEELM
C/C(=N/O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000216635793	385870231	/nfs/dbraw/zinc/87/02/31/385870231.db2.gz	XHJCYRIQWZMLHM-KECPUOCWSA-N	-1	2	234.299	1.738	10	30		BDEELM
N#Cc1c(=O)[nH]c(-c2ccco2)cc1C(=O)[O-]	ZINC000409441858	344467225	/nfs/dbraw/zinc/46/72/25/344467225.db2.gz	RVDADZITZKSESS-UHFFFAOYSA-N	-1	2	230.179	1.617	10	30		BDEELM
N#Cc1ccc(O)c(Br)c1C(=O)[O-]	ZINC000306159032	358955635	/nfs/dbraw/zinc/95/56/35/358955635.db2.gz	CNAHKQNHIOPPOV-UHFFFAOYSA-N	-1	2	242.028	1.725	10	30		BDEELM
COc1cc2c(O)c[nH+]cc2cc1C#N	ZINC000584640219	358326304	/nfs/dbraw/zinc/32/63/04/358326304.db2.gz	HRHOEKKISIDGHA-UHFFFAOYSA-N	-1	2	200.197	1.821	10	30		BDEELM
CC1(C)C(=O)C(C(=O)[O-])=C(O)c2ccccc21	ZINC000105633446	368448464	/nfs/dbraw/zinc/44/84/64/368448464.db2.gz	JZYUMHKKMIJRSU-UHFFFAOYSA-N	-1	2	232.235	1.901	10	30		BDEELM
N#Cc1c(=O)[n-]c(O)cc1-c1cccnc1	ZINC000005338173	181072582	/nfs/dbraw/zinc/07/25/82/181072582.db2.gz	LGFMRWNPUYXBIL-UHFFFAOYSA-N	-1	2	213.196	1.014	10	30		BDEELM
N#Cc1c(=O)[nH]c(C2CC2)c(Cl)c1C(=O)[O-]	ZINC000409438955	344463468	/nfs/dbraw/zinc/46/34/68/344463468.db2.gz	FEASJNWLXRQRFQ-UHFFFAOYSA-N	-1	2	238.630	1.888	10	30		BDEELM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1cccc(Cl)c1	ZINC000059383435	181071510	/nfs/dbraw/zinc/07/15/10/181071510.db2.gz	ZGXBMXMMDXGRMS-UHFFFAOYSA-N	-1	2	247.641	1.255	10	30		BDEELM
CC(=NNC1N=NC(=S)N1)c1ccccc1	ZINC000005889455	342771243	/nfs/dbraw/zinc/77/12/43/342771243.db2.gz	LODXLEFTXIJVJZ-GHXNOFRVSA-N	-1	2	233.300	1.930	10	30		BDEELM
N#Cc1ccc(CC(=O)[O-])c(Cl)c1O	ZINC000307272959	351825031	/nfs/dbraw/zinc/82/50/31/351825031.db2.gz	HCCPUDFYKWOKLP-UHFFFAOYSA-N	-1	2	211.604	1.544	10	30		BDEELM
N#Cc1ccc(O)c(C(F)(F)F)c1CC(=O)[O-]	ZINC000575392367	386964240	/nfs/dbraw/zinc/96/42/40/386964240.db2.gz	WFBWDZHEMZLOCO-UHFFFAOYSA-N	-1	2	245.156	1.910	10	30		BDEELM
N#Cc1cc(Cl)c(O)c(CC(=O)[O-])c1	ZINC000215571602	371583471	/nfs/dbraw/zinc/58/34/71/371583471.db2.gz	PFOKEAJEVSSJJF-UHFFFAOYSA-N	-1	2	211.604	1.544	10	30		BDEELM
N#Cc1ccc(C(=O)[O-])c(Br)c1O	ZINC000306422807	359863290	/nfs/dbraw/zinc/86/32/90/359863290.db2.gz	FFDNMERXLQJQAO-UHFFFAOYSA-N	-1	2	242.028	1.725	10	30		BDEELM
N#CC(C#N)=C(O)c1ccccc1C(=O)[O-]	ZINC000521401340	386458225	/nfs/dbraw/zinc/45/82/25/386458225.db2.gz	XGQQFYTUEUKQRM-UHFFFAOYSA-N	-1	2	214.180	1.231	10	30		BDEELM