smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@@H](CC)N=c1[nH]nc(C)s1	379362737	538364450	/nfs/dbraw/zinc/36/44/50/538364450.db2.gz	IHURHNYCQKPSSW-MRVPVSSYSA-N	0	2	197.307	2.035	20	30		AEEDLN
C=CC[C@H](CC)N=c1[nH]nc(C)s1	379362738	538364983	/nfs/dbraw/zinc/36/49/83/538364983.db2.gz	IHURHNYCQKPSSW-QMMMGPOBSA-N	0	2	197.307	2.035	20	30		AEEDLN
C=CCCCCN=c1[nH]nc(C)s1	388626259	538435272	/nfs/dbraw/zinc/43/52/72/538435272.db2.gz	HDDIYBKIKZFGGH-UHFFFAOYSA-N	0	2	197.307	2.037	20	30		AEEDLN
O=CC1=C(O)c2ccccc2CCC1	105748317	571800912	/nfs/dbraw/zinc/80/09/12/571800912.db2.gz	RUYNSECBPNCGON-JTQLQIEISA-N	0	2	188.226	2.021	20	30		AEEDLN
O=CC1=C(O)c2ccccc2CCC1	3599398	571812812	/nfs/dbraw/zinc/81/28/12/571812812.db2.gz	RUYNSECBPNCGON-SNVBAGLBSA-N	0	2	188.226	2.021	20	30		AEEDLN
C=CCOc1ccc(OC(=O)O)cc1	825699360	583048901	/nfs/dbraw/zinc/04/89/01/583048901.db2.gz	XVGUOEBFKJHVID-UHFFFAOYSA-N	0	2	194.186	2.308	20	30		AEEDLN
COc1ccc2oc(C#N)c(O)c2c1	34198735	168266853	/nfs/dbraw/zinc/26/68/53/168266853.db2.gz	PFSSDWWVTSIXDB-UHFFFAOYSA-N	0	2	189.170	2.019	20	30		AEEDLN
COc1cccc2c(O)c(C#N)oc12	100166467	168273565	/nfs/dbraw/zinc/27/35/65/168273565.db2.gz	CXFPYPZFDFSLSB-UHFFFAOYSA-N	0	2	189.170	2.019	20	30		AEEDLN
N#Cc1cc2cccc(O)c2o1	5064469	169118778	/nfs/dbraw/zinc/11/87/78/169118778.db2.gz	UKRSCBFPJQDXLY-UHFFFAOYSA-N	0	2	159.144	2.010	20	30		AEEDLN
N#Cc1ccc2c(N=O)ccc(O)c2n1	98179206	169123421	/nfs/dbraw/zinc/12/34/21/169123421.db2.gz	TXHRLHRUWGUXSK-UHFFFAOYSA-N	0	2	199.169	2.210	20	30		AEEDLN
Cc1cc(O)c(Cl)cc1C#N	257907360	573946295	/nfs/dbraw/zinc/94/62/95/573946295.db2.gz	AEYLQGYNRNPYKZ-UHFFFAOYSA-N	0	2	167.595	2.226	20	30		AEEDLN
CC(CC(C)(C)C)[NH+]=Nc1nnc[n-]1	834978882	630772543	/nfs/dbraw/zinc/77/25/43/630772543.db2.gz	CWYTYBDLCRENAH-UHFFFAOYSA-N	0	2	195.270	2.029	20	30		AEEDLN