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@@H]1C[C@@H]2[NH+]=C(N)NC(=[NH2+])[C@@H]2C[C@H]1C	253633915	581095220	/nfs/dbraw/zinc/09/52/20/581095220.db2.gz	KQNSOABYMIHDJR-XUTVFYLZSA-N	2	0	194.282	0.723	1	0		ACAFRP
C[C@H]1C[C@@H]2C(=[NH2+])NC(N)=[NH+][C@H]2C[C@H]1C	253633916	581095264	/nfs/dbraw/zinc/09/52/64/581095264.db2.gz	KQNSOABYMIHDJR-YWIQKCBGSA-N	2	0	194.282	0.723	1	0		ACAFRP
C[C@H]1CC[C@H]([NH3+])C[C@@H]1[NH3+]	6037633	343011991	/nfs/dbraw/zinc/01/19/91/343011991.db2.gz	QTKDDPSHNLZGRO-ACZMJKKPSA-N	2	0	128.219	0.461	1	0		ACAFRP
C[C@H]1CC[C@@H]([NH3+])C[C@@H]1[NH3+]	6037710	343011995	/nfs/dbraw/zinc/01/19/95/343011995.db2.gz	QTKDDPSHNLZGRO-XVMARJQXSA-N	2	0	128.219	0.461	1	0		ACAFRP
C1C[NH+]2CCC[NH+](C1)C2	19327055	166095996	/nfs/dbraw/zinc/09/59/96/166095996.db2.gz	HYTQTNKKOHXGKR-UHFFFAOYSA-N	2	0	126.203	0.355	1	0	in-vitro	ACAFRP
C[C@@H]([NH3+])CCC[NH2+]CCC[NH3+]	95578776	168361786	/nfs/dbraw/zinc/36/17/86/168361786.db2.gz	WBPWRRKPNVCJJL-MRVPVSSYSA-N	3	0	159.277	0.052	1	0		ACAFRP
C[C@@H]1CC[C@H]2C(=[NH2+])NC(N)=[NH+][C@@H]2C1	26499871	168444596	/nfs/dbraw/zinc/44/45/96/168444596.db2.gz	AUPBKMAUDTWWPQ-FSDSQADBSA-N	2	0	180.255	0.896	1	0		ACAFRP
C[C@H]1CC[C@H]([NH3+])C[C@H]1[NH3+]	100049915	168625173	/nfs/dbraw/zinc/62/51/73/168625173.db2.gz	QTKDDPSHNLZGRO-LYFYHCNISA-N	2	0	128.219	0.461	1	0		ACAFRP
[NH2+]=C[C@@H]1CCC[C@H](C=[NH2+])N1	26390318	169144370	/nfs/dbraw/zinc/14/43/70/169144370.db2.gz	VFQABHNGAURLKE-KNVOCYPGSA-N	2	0	139.202	0.796	1	0		ACAFRP
[NH3+]CCCNC(F)(F)CCC[NH3+]	13650023	169184151	/nfs/dbraw/zinc/18/41/51/169184151.db2.gz	RPHHNYXCKNETDM-UHFFFAOYSA-N	2	0	181.230	0.257	1	0		ACAFRP
[NH3+]CCC[N+]1=CCCC1	59065673	169184440	/nfs/dbraw/zinc/18/44/40/169184440.db2.gz	IWGWVCORJJKREY-UHFFFAOYSA-N	2	0	127.211	0.212	1	0	in-vitro	ACAFRP
[NH3+]CCCOc1ccc(CC[NH3+])cc1	27895594	169185151	/nfs/dbraw/zinc/18/51/51/169185151.db2.gz	TYAWHNFBSRSINB-UHFFFAOYSA-N	2	0	194.278	0.915	1	0		ACAFRP
[NH3+]C[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C[NH3+]	1688253	171000351	/nfs/dbraw/zinc/00/03/51/171000351.db2.gz	PNVJCDFWKGDJBZ-JXUBOQSCSA-N	2	0	166.268	0.732	1	0		ACAFRP