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(=O)OCCP(=O)([O-])[O-]	60200537	572183171	/nfs/dbraw/zinc/18/31/71/572183171.db2.gz	OKKJMXCNNZVCPO-UHFFFAOYSA-N	-2	3	194.123	0.283	40	30		ACEBHL
C=CCSc1nc([O-])cc(=O)[n-]1	59483928	166198485	/nfs/dbraw/zinc/19/84/85/166198485.db2.gz	UJDOMLHRLQMSIU-UHFFFAOYSA-N	-2	3	184.220	0.754	40	30		ACEBHL
C=CCC1C(=O)[N-]C(=S)N=C1[O-]	12653749	166207320	/nfs/dbraw/zinc/20/73/20/166207320.db2.gz	AKUHBCKWKWRLTD-UHFFFAOYSA-N	-2	3	184.220	0.905	40	30		ACEBHL
CC(/C=N/[O-])=N/N=C(C)/C=N/[O-]	195528943	166231034	/nfs/dbraw/zinc/23/10/34/166231034.db2.gz	NYVNCKYWGBTIGE-FLMLXDDXSA-N	-2	3	170.172	0.743	40	30		ACEBHL
N#Cc1cc([O-])cc(C(=O)[O-])c1	95558795	169118714	/nfs/dbraw/zinc/11/87/14/169118714.db2.gz	AIJZBNIPPCUFCO-UHFFFAOYSA-N	-2	3	163.132	0.962	40	30	in-vitro	ACEBHL
N#Cc1cc([O-])ccc1C(=O)[O-]	95724867	169118874	/nfs/dbraw/zinc/11/88/74/169118874.db2.gz	IZSRMXACBODQIO-UHFFFAOYSA-N	-2	3	163.132	0.962	40	30		ACEBHL
O=C(/C=N\[O-])Nc1ccccc1[O-]	4900984	169316042	/nfs/dbraw/zinc/31/60/42/169316042.db2.gz	YBCIUCZBNNHHGZ-UITAMQMPSA-N	-2	3	180.163	0.791	40	30		ACEBHL
O=C(/C=N/[O-])Nc1ccccc1[O-]	104059708	169316668	/nfs/dbraw/zinc/31/66/68/169316668.db2.gz	YBCIUCZBNNHHGZ-WEVVVXLNSA-N	-2	3	180.163	0.791	40	30		ACEBHL
O=C1CN[C@@H](c2ccccc2[O-])N1[O-]	31672378	169378768	/nfs/dbraw/zinc/37/87/68/169378768.db2.gz	AZHNNXPCRTUVDI-SECBINFHSA-N	-2	3	194.190	0.212	40	30		ACEBHL
O=C1CN[C@H](c2ccccc2[O-])N1[O-]	17429664	169378874	/nfs/dbraw/zinc/37/88/74/169378874.db2.gz	AZHNNXPCRTUVDI-VIFPVBQESA-N	-2	3	194.190	0.212	40	30		ACEBHL
O=C([O-])C/N=C/c1ccc(O)cc1[O-]	35185240	171057889	/nfs/dbraw/zinc/05/78/89/171057889.db2.gz	TXCMJVWKXAJGGA-ONNFQVAWSA-N	-2	3	195.174	0.601	40	30		ACEBHL
N#Cc1c([O-])cccc1C(=O)[O-]	95720135	171137488	/nfs/dbraw/zinc/13/74/88/171137488.db2.gz	FPEDFRDAWLWMJL-UHFFFAOYSA-N	-2	3	163.132	0.962	40	30		ACEBHL
O=C([O-])C(=N[O-])c1ccccc1	254698121	171187398	/nfs/dbraw/zinc/18/73/98/171187398.db2.gz	NRNOFFFWOYJUCR-UHFFFAOYSA-N	-2	3	165.148	0.950	40	30		ACEBHL
CCC([S-])(S)S(=O)(=O)[O-]	44135089	343260821	/nfs/dbraw/zinc/26/08/21/343260821.db2.gz	GKJQHSSYBJHANH-UHFFFAOYSA-N	-2	3	188.295	0.798	40	30		ACEBHL
Cc1[n-]c(=O)c(C)c([O-])c1C#N	98175588	343705361	/nfs/dbraw/zinc/70/53/61/343705361.db2.gz	MHYYPESXZHKMCT-UHFFFAOYSA-N	-2	3	164.164	0.981	40	30		ACEBHL
N#Cc1cc(N)c([O-])c(CC(=O)[O-])c1	225723856	375422478	/nfs/dbraw/zinc/42/24/78/375422478.db2.gz	WNJVAAKIPFASDU-UHFFFAOYSA-N	-2	3	192.174	0.473	40	30		ACEBHL