smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(NC(=O)c2cc(NC(=O)[C@@H]3CCC(N)=[NH+]3)c[nH]2)cc1C(=O)NCCC(N)=[NH2+]	ZINC000005812858	562944876	/nfs/dbraw/zinc/94/48/76/562944876.db2.gz	ZKNZAWGJQIYHNE-LBPRGKRZSA-N	2	0	427.469	0.119	1	0	in-vitro	ICAFRP
Cn1cc(NC(=O)c2cc(NC(=O)[C@H]3CCC(N)=[NH+]3)c[nH]2)cc1C(=O)NCCC(N)=[NH2+]	ZINC000005812859	562944855	/nfs/dbraw/zinc/94/48/55/562944855.db2.gz	ZKNZAWGJQIYHNE-GFCCVEGCSA-N	2	0	427.469	0.119	1	0		ICAFRP
C[n+]1ccc(C[NH+]2CCC(COc3ccc4c(c3)CN(C(N)=[NH2+])CC4)(C(=O)[O-])CC2)nc1	ZINC000028358028	563053395	/nfs/dbraw/zinc/05/33/95/563053395.db2.gz	DUPSMHFWFIEMOS-UHFFFAOYSA-O	2	0	439.540	0.903	1	0		ICAFRP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CC[NH2+]CC1	ZINC000028644703	563060642	/nfs/dbraw/zinc/06/06/42/563060642.db2.gz	LEKHODSPIRFKHO-KRWDZBQOSA-N	2	0	432.550	0.182	1	0		ICAFRP
[NH3+][C@@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CCNCC[NH2+]CCNCC1	ZINC000029130231	563075462	/nfs/dbraw/zinc/07/54/62/563075462.db2.gz	HXWYTBPGZRNVLO-FQEVSTJZSA-N	2	0	426.565	0.497	1	0		ICAFRP
[NH3+][C@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CCNCC[NH2+]CCNCC1	ZINC000029130233	563075486	/nfs/dbraw/zinc/07/54/86/563075486.db2.gz	HXWYTBPGZRNVLO-HXUWFJFHSA-N	2	0	426.565	0.497	1	0		ICAFRP
O=S1(=O)c2ccccc2-c2nn(CC[NH2+]CCO)c3ccc(NCC[NH2+]CCO)c1c32	ZINC000029324081	563077914	/nfs/dbraw/zinc/07/79/14/563077914.db2.gz	UPYLFQADDXPDEV-UHFFFAOYSA-N	2	0	445.545	0.425	1	0		ICAFRP
CN(C)S(=O)(=O)c1ccc(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])c2nonc21	ZINC000043013968	563116736	/nfs/dbraw/zinc/11/67/36/563116736.db2.gz	MLIIFECPJZCAMR-UHFFFAOYSA-N	3	0	427.575	0.583	1	0		ICAFRP
CC(C)c1ncc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)[nH]1	ZINC000045285623	563128203	/nfs/dbraw/zinc/12/82/03/563128203.db2.gz	LTDIWSJZMYDNEE-ROUUACIJSA-N	2	0	442.568	0.467	1	0		ICAFRP
NC(=[NH2+])c1ccc(/C=C/C(=O)NCC(O)CNC(=O)/C=C/c2ccc(C(N)=[NH2+])cc2)cc1	ZINC000045334658	563131111	/nfs/dbraw/zinc/13/11/11/563131111.db2.gz	JICJYMDYDRTCLP-YDWXAUTNSA-N	2	0	434.500	0.575	1	0		ICAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000045373958	563133544	/nfs/dbraw/zinc/13/35/44/563133544.db2.gz	DBVCYVIDQQXAAU-FHWLQOOXSA-N	2	0	433.553	0.095	1	0		ICAFRP
CC(C)C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc(N)cc1	ZINC000072114336	563163601	/nfs/dbraw/zinc/16/36/01/563163601.db2.gz	NNVVNVWTTVUNPH-MLNNCEHLSA-N	2	0	441.576	0.847	1	0		ICAFRP
Cc1cc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)n(-c2cc[nH+]cc2)n1	ZINC000095561160	563182306	/nfs/dbraw/zinc/18/23/06/563182306.db2.gz	IJDHFVAKOANXKP-OALUTQOASA-N	2	0	427.578	0.961	1	0		ICAFRP
COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)C[NH2+]CCCN3CC[NH+](C)CC3)C2=O)cc1	ZINC000095594320	563191007	/nfs/dbraw/zinc/19/10/07/563191007.db2.gz	HEKZWXOJIFXRNA-HJHGFDQJSA-N	2	0	431.537	0.176	1	0		ICAFRP
COc1ccc(/C=C2\NC(=O)N(C[C@H](O)C[NH2+]CCCN3CC[NH+](C)CC3)C2=O)cc1	ZINC000095594321	563191011	/nfs/dbraw/zinc/19/10/11/563191011.db2.gz	HEKZWXOJIFXRNA-WRDGEJPTSA-N	2	0	431.537	0.176	1	0		ICAFRP
O=C(NCC[NH+]1CCCCC1)[C@H]1[NH2+][C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]2[C@@H]1CO	ZINC000095599502	563192456	/nfs/dbraw/zinc/19/24/56/563192456.db2.gz	CVHZUVCNTPUAQZ-MPJJRAAHSA-N	2	0	437.544	0.764	1	0		ICAFRP
[NH3+]CCN1CC[NH+](Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)CC1	ZINC000096933976	563199147	/nfs/dbraw/zinc/19/91/47/563199147.db2.gz	ZIVJQCBRMJQCKL-UHFFFAOYSA-N	2	0	426.546	0.991	1	0		ICAFRP
O=C(CC[NH2+]CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH2+]CCO)ccc1-2	ZINC000096938152	563199743	/nfs/dbraw/zinc/19/97/43/563199743.db2.gz	OVGRYEFGBRBQJZ-UHFFFAOYSA-N	2	0	440.500	0.719	1	0		ICAFRP
C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](O)C[C@]32[C@H](C)CC1	ZINC000103524861	291311983	/nfs/dbraw/zinc/31/19/83/291311983.db2.gz	ZLKLTONYPDNGSF-YNGQPRSESA-N	2	0	431.581	0.963	1	0	biogenic,in-vitro	ICAFRP