smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CCO[C@@H](CCc2ccnc(N)c2)C1	ZINC000257208039	166355772	/nfs/dbraw/zinc/35/57/72/166355772.db2.gz	BKJWHUKWYBRIMO-ZDUSSCGKSA-N	2	1	247.342	1.483	40	30		BDEBMP
C[NH2+]CCC[NH2+]CC#Cc1ccccc1	ZINC000008376905	355619320	/nfs/dbraw/zinc/61/93/20/355619320.db2.gz	NXIAXVNKCNIGHX-UHFFFAOYSA-N	2	1	202.301	1.237	40	30		BDEBMP
C[C@]1(c2ccccc2)CCC(=[NH+]NC(N)=[NH2+])NC1	ZINC000001620760	383912994	/nfs/dbraw/zinc/91/29/94/383912994.db2.gz	ICVLISNZYCQEEK-ZDUSSCGKSA-N	2	1	245.330	1.124	40	30		BDEBMP
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000261582849	135224006	/nfs/dbraw/zinc/22/40/06/135224006.db2.gz	RKRBWCUSQPTWRH-OAHLLOKOSA-N	2	1	241.338	1.744	40	30		BDEBMP
N#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1	ZINC000261582849	135224007	/nfs/dbraw/zinc/22/40/07/135224007.db2.gz	RKRBWCUSQPTWRH-OAHLLOKOSA-N	2	1	241.338	1.744	40	30		BDEBMP
C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH2+]CC1	ZINC000036300869	387906449	/nfs/dbraw/zinc/90/64/49/387906449.db2.gz	XMCZLWRLCBQFPJ-UHFFFAOYSA-N	2	1	229.327	1.742	40	30		BDEBMP
C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH2+]CC1	ZINC000036300869	387906453	/nfs/dbraw/zinc/90/64/53/387906453.db2.gz	XMCZLWRLCBQFPJ-UHFFFAOYSA-N	2	1	229.327	1.742	40	30		BDEBMP
N#Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1	ZINC000096319910	181107211	/nfs/dbraw/zinc/10/72/11/181107211.db2.gz	AZBGVRNHHPPTKZ-UHFFFAOYSA-N	2	1	215.300	1.400	40	30		BDEBMP
C[C@@]1(c2ccccc2)CCC(=[NH+]NC(N)=[NH2+])NC1	ZINC000004775343	342752051	/nfs/dbraw/zinc/75/20/51/342752051.db2.gz	ICVLISNZYCQEEK-CYBMUJFWSA-N	2	1	245.330	1.124	40	30		BDEBMP
N#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000261582848	135224077	/nfs/dbraw/zinc/22/40/77/135224077.db2.gz	RKRBWCUSQPTWRH-HNNXBMFYSA-N	2	1	241.338	1.744	40	30		BDEBMP
N#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1	ZINC000261582848	135224078	/nfs/dbraw/zinc/22/40/78/135224078.db2.gz	RKRBWCUSQPTWRH-HNNXBMFYSA-N	2	1	241.338	1.744	40	30		BDEBMP
N#Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1	ZINC000038041476	364556107	/nfs/dbraw/zinc/55/61/07/364556107.db2.gz	YXFRKRGITDTWPE-UHFFFAOYSA-N	2	1	215.300	1.400	40	30		BDEBMP