smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(N)NN=Cc1ccnc(C(N)=[NH2+])c1	ZINC000000012896	181188239	/nfs/dbraw/zinc/18/82/39/181188239.db2.gz	DYJLAVXMPYIMOT-LNKIKWGQSA-N	1	3	205.225	-0.817	10	30		BBEEHO
N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC000013529557	181058657	/nfs/dbraw/zinc/05/86/57/181058657.db2.gz	BEXSRKUIBIGLOG-UWVGGRQHSA-N	1	3	224.308	-0.043	10	30		BBEEHO
NCCC[NH2+]CCCCCC(=O)NO	ZINC000013725116	181382001	/nfs/dbraw/zinc/38/20/01/181382001.db2.gz	BREASWSBOVLQOH-UHFFFAOYSA-N	1	3	203.286	-0.009	10	30	in-vitro	BBEEHO
N#C[C@@H]1CCCN1C(=O)[C@H](N)CCCC[NH3+]	ZINC000035931804	181058880	/nfs/dbraw/zinc/05/88/80/181058880.db2.gz	BEXSRKUIBIGLOG-VHSXEESVSA-N	1	3	224.308	-0.043	10	30		BBEEHO
N#CC1(N2CCC[NH2+]CC2)CCNCC1	ZINC000040695175	181029360	/nfs/dbraw/zinc/02/93/60/181029360.db2.gz	HFKWTBDPGYJZSJ-UHFFFAOYSA-N	1	3	208.309	-0.073	10	30		BBEEHO
C=CCN(CC=C)C[C@H](O)CN1CC[NH2+]CC1	ZINC000045919717	166335129	/nfs/dbraw/zinc/33/51/29/166335129.db2.gz	NZUNYXSEENWSKY-ZDUSSCGKSA-N	1	3	239.363	-0.074	10	30		BBEEHO
C=CCN(CC=C)C[C@@H](O)CN1CC[NH2+]CC1	ZINC000045919719	166334256	/nfs/dbraw/zinc/33/42/56/166334256.db2.gz	NZUNYXSEENWSKY-CYBMUJFWSA-N	1	3	239.363	-0.074	10	30		BBEEHO
[NH3+]CC#Cc1ccccc1CN(CCO)CCO	ZINC000049609497	181346650	/nfs/dbraw/zinc/34/66/50/181346650.db2.gz	ATRQVEQPPDBLRX-UHFFFAOYSA-N	1	3	248.326	-0.217	10	30		BBEEHO
[NH3+]CC#Cc1ccc(CN(CCO)CCO)cc1	ZINC000049609499	181346621	/nfs/dbraw/zinc/34/66/21/181346621.db2.gz	ZPSKHHWFKMJFOT-UHFFFAOYSA-N	1	3	248.326	-0.217	10	30		BBEEHO
[NH3+]CC#Cc1cccc(CN(CCO)CCO)c1	ZINC000049609504	181346879	/nfs/dbraw/zinc/34/68/79/181346879.db2.gz	JEQBNVGGDRYZTB-UHFFFAOYSA-N	1	3	248.326	-0.217	10	30		BBEEHO
N=C(N)NN=Cc1cccc(C(N)=[NH2+])c1	ZINC000049908135	181196565	/nfs/dbraw/zinc/19/65/65/181196565.db2.gz	SFXSADFJEYLJLW-LHHJGKSTSA-N	1	3	204.237	-0.422	10	30		BBEEHO
C=CCN1CCN(C[C@H](O)CC[NH3+])CC1	ZINC000071518873	166355270	/nfs/dbraw/zinc/35/52/70/166355270.db2.gz	DVJOMGMZANQLOQ-LLVKDONJSA-N	1	3	213.325	-0.500	10	30		BBEEHO
C=CCN1CCN(C[C@@H](O)CC[NH3+])CC1	ZINC000071518874	166355984	/nfs/dbraw/zinc/35/59/84/166355984.db2.gz	DVJOMGMZANQLOQ-NSHDSACASA-N	1	3	213.325	-0.500	10	30		BBEEHO
C#CC[C@H](N)C(=O)NCC[NH+](CC)CC	ZINC000083346709	166206454	/nfs/dbraw/zinc/20/64/54/166206454.db2.gz	AOJWJIDMURYELD-JTQLQIEISA-N	1	3	211.309	-0.205	10	30		BBEEHO
C=CCN1CCN(CC2(O)CC[NH2+]CC2)CC1	ZINC000229012571	518866239	/nfs/dbraw/zinc/86/62/39/518866239.db2.gz	JBXWTYITFBNYTJ-UHFFFAOYSA-N	1	3	239.363	-0.096	10	30		BBEEHO
C=CCN1CCC(NC(=O)C2C[NH2+]C2)CC1	ZINC000263257987	135343014	/nfs/dbraw/zinc/34/30/14/135343014.db2.gz	FVMZXCVLCXUTSZ-UHFFFAOYSA-N	1	3	223.320	-0.028	10	30		BBEEHO
N[NH+]=C(N)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000307365108	352451096	/nfs/dbraw/zinc/45/10/96/352451096.db2.gz	KXKDTLFOSJCVGD-GDNZZTSVSA-N	1	3	245.330	-0.105	10	30		BBEEHO
C=CC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725258494	538075082	/nfs/dbraw/zinc/07/50/82/538075082.db2.gz	QNYIHVNYIRIMIV-SECBINFHSA-N	1	3	235.291	-0.131	10	30		BBEEHO
C=CC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725258495	538074936	/nfs/dbraw/zinc/07/49/36/538074936.db2.gz	QNYIHVNYIRIMIV-VIFPVBQESA-N	1	3	235.291	-0.131	10	30		BBEEHO
C#CCNCCNc1ccnn1C1C[NH2+]C1	ZINC000725258597	538076662	/nfs/dbraw/zinc/07/66/62/538076662.db2.gz	UNIVOKWEGNYIIR-UHFFFAOYSA-N	1	3	219.292	-0.338	10	30		BBEEHO
NCC#CCNc1ccnn1C1C[NH2+]C1	ZINC000725259413	566306259	/nfs/dbraw/zinc/30/62/59/566306259.db2.gz	ATIOQYPHPCDZAU-UHFFFAOYSA-N	1	3	205.265	-0.599	10	30		BBEEHO