smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nc(N)nc(NCCC[NH2+]CCCCCCCCC[NH2+]CCCNc2nc(N)nc(NC)n2)n1	ZINC000013864372	561735253	/nfs/dbraw/zinc/73/52/53/561735253.db2.gz	FKFUZGQMFWFDPA-UHFFFAOYSA-N	2	3	518.719	1.519	1	0		KDAFHP
CN(C)c1nc(N)nc(NCCC[NH2+]CCCCCCCCC[NH2+]CCCNc2nc(N)nc(N(C)C)n2)n1	ZINC000013864373	561735233	/nfs/dbraw/zinc/73/52/33/561735233.db2.gz	WPCUZFPPKCZWOH-UHFFFAOYSA-N	2	3	546.773	1.567	1	0		KDAFHP
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CNC(=O)Nc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1	ZINC000029462746	562023354	/nfs/dbraw/zinc/02/33/54/562023354.db2.gz	FEQRYMPEKXKKLU-UHFFFAOYSA-N	2	3	504.603	1.379	1	0		KDAFHP
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCOc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1	ZINC000029464399	562023833	/nfs/dbraw/zinc/02/38/33/562023833.db2.gz	BCFDXGPRBNAMPG-UHFFFAOYSA-N	2	3	506.615	1.906	1	0		KDAFHP
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1CNCCC[NH2+]CCCC[NH2+]CCCN	ZINC000043543846	562649460	/nfs/dbraw/zinc/64/94/60/562649460.db2.gz	HYADBHKWXWVHGO-HKBQPEDESA-N	2	3	562.715	1.868	1	0		KDAFHP
C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@H](N)[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O	ZINC000044265205	562652746	/nfs/dbraw/zinc/65/27/46/562652746.db2.gz	ODQYVYHOFMVCAB-VBRDXMQMSA-N	2	3	545.628	1.561	1	0		KDAFHP
C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@@H](N)[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O	ZINC000044265208	562652766	/nfs/dbraw/zinc/65/27/66/562652766.db2.gz	ODQYVYHOFMVCAB-FEBQYDHISA-N	2	3	545.628	1.561	1	0		KDAFHP
C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@H](N)[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O	ZINC000044265212	562652774	/nfs/dbraw/zinc/65/27/74/562652774.db2.gz	ODQYVYHOFMVCAB-WFYAKITOSA-N	2	3	545.628	1.561	1	0		KDAFHP
C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@@H](N)[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O	ZINC000044265215	562652752	/nfs/dbraw/zinc/65/27/52/562652752.db2.gz	ODQYVYHOFMVCAB-DUONVIGWSA-N	2	3	545.628	1.561	1	0		KDAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1	ZINC000064527317	562706891	/nfs/dbraw/zinc/70/68/91/562706891.db2.gz	XACBWWAPIAAVLN-VWLOTQADSA-N	2	3	516.731	1.225	1	0		KDAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1	ZINC000064527496	562706999	/nfs/dbraw/zinc/70/69/99/562706999.db2.gz	QOQIYAQCUYNZAI-SANMLTNESA-N	2	3	524.710	1.349	1	0		KDAFHP
NC(=[NH2+])NCCCCCCC(=O)N[C@H](C(=O)NCCCCNCCC[NH3+])c1ccc(Br)cc1	ZINC000071341927	562720115	/nfs/dbraw/zinc/72/01/15/562720115.db2.gz	IGQBJSZIPLIERT-NRFANRHFSA-N	2	3	526.524	1.875	1	0		KDAFHP
NCCC[NH2+]CCCCNC(=O)[C@@H](NC(=O)CCCCCCNC(N)=[NH2+])c1ccc(Br)cc1	ZINC000071341927	562720114	/nfs/dbraw/zinc/72/01/14/562720114.db2.gz	IGQBJSZIPLIERT-NRFANRHFSA-N	2	3	526.524	1.875	1	0		KDAFHP
NC(=[NH2+])NCCCCCCC(=O)N[C@@H](C(=O)NCCCCNCCC[NH3+])c1ccc(Br)cc1	ZINC000071341928	562720083	/nfs/dbraw/zinc/72/00/83/562720083.db2.gz	IGQBJSZIPLIERT-OAQYLSRUSA-N	2	3	526.524	1.875	1	0		KDAFHP
NCCC[NH2+]CCCCNC(=O)[C@H](NC(=O)CCCCCCNC(N)=[NH2+])c1ccc(Br)cc1	ZINC000071341928	562720082	/nfs/dbraw/zinc/72/00/82/562720082.db2.gz	IGQBJSZIPLIERT-OAQYLSRUSA-N	2	3	526.524	1.875	1	0		KDAFHP
CNC[C@H](NC)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CC[C@@H](O)C[NH2+]C)CC[C@H](C)O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1	ZINC000085596750	565156078	/nfs/dbraw/zinc/15/60/78/565156078.db2.gz	ZFAXTFVBFZERCX-XEJIGVJVSA-N	2	3	638.847	1.492	1	0	biogenic,in-vitro	KDAFHP
CC(=O)O[C@H](CCc1cc(OC2CC[NH2+]CC2)c(O)cc1CO)C[C@@H](O)CC[C@@H]1CCN2C[C@H]3C[C@@H](C2)CN(C3)C[NH+]=C(N)NC1	ZINC000085628138	565161218	/nfs/dbraw/zinc/16/12/18/565161218.db2.gz	DJXQNXOBLWLPRO-QEBWDMKQSA-N	2	3	644.858	1.756	1	0	biogenic,in-vitro	KDAFHP
NC[C@@H]1NC(=O)c2cccc3c(Nc4ccc(C[NH3+])cc4)cc(nc32)-c2ccc(cc2)C/C=C\C[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000095539481	562755046	/nfs/dbraw/zinc/75/50/46/562755046.db2.gz	ZNAPEVZMSKLTAC-WXAHHMOXSA-N	2	3	748.889	1.364	1	0		KDAFHP
NC[C@@H]1NC(=O)c2cccc3c(Nc4ccc(C[NH3+])cc4)cc(nc32)-c2ccc(cc2)C/C=C\C[C@@H](C(N)=O)NC(=O)[C@@H](CCCC[NH3+])NC(=O)CNC1=O	ZINC000095539515	562755072	/nfs/dbraw/zinc/75/50/72/562755072.db2.gz	GMOOGUZVBAGMIS-LTPYHOFASA-N	2	3	748.889	1.364	1	0		KDAFHP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCc1ccccc1	ZINC000095554098	562761168	/nfs/dbraw/zinc/76/11/68/562761168.db2.gz	RUGYDZPVQAXRMF-DTXPUJKBSA-N	2	3	614.795	1.902	1	0		KDAFHP
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]([NH2+]C)C4)C[C@]32[C@H](C)CC1	ZINC000103524456	565192702	/nfs/dbraw/zinc/19/27/02/565192702.db2.gz	PXCZOIMVNAOMJM-VHHYMTGWSA-N	2	3	602.821	1.243	1	0	biogenic,in-vitro	KDAFHP
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]5[NH2+]CCC[C@@H]54)C[C@]32[C@H](C)CC1	ZINC000150342078	565200067	/nfs/dbraw/zinc/20/00/67/565200067.db2.gz	FJSOXTWZQVLCQN-HEYZRBPQSA-N	2	3	628.859	1.633	1	0	biogenic,in-vitro	KDAFHP
CC(C)(C)c1ccc(-c2ncc(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH]2)cc1	ZINC000169341644	562860907	/nfs/dbraw/zinc/86/09/07/562860907.db2.gz	HYDDSNKYFQOEGN-KCHLEUMXSA-N	2	3	688.882	1.057	1	0		KDAFHP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000169341647	562860923	/nfs/dbraw/zinc/86/09/23/562860923.db2.gz	MOZFXUOIIQPODM-CHQNGUEUSA-N	2	3	708.872	1.426	1	0		KDAFHP
NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000169352433	562863078	/nfs/dbraw/zinc/86/30/78/562863078.db2.gz	BDJLRCPUTKIXIC-LBFSXKFDSA-N	2	3	736.878	1.432	1	0		KDAFHP
NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000299854721	562891481	/nfs/dbraw/zinc/89/14/81/562891481.db2.gz	BDJLRCPUTKIXIC-KXSUPTTBSA-N	2	3	736.878	1.432	1	0		KDAFHP
NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000299854726	562891455	/nfs/dbraw/zinc/89/14/55/562891455.db2.gz	BDJLRCPUTKIXIC-OTPQIFFISA-N	2	3	736.878	1.432	1	0		KDAFHP
NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000299854730	562891476	/nfs/dbraw/zinc/89/14/76/562891476.db2.gz	BDJLRCPUTKIXIC-YLHFFGLLSA-N	2	3	736.878	1.432	1	0		KDAFHP