smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])NN=C(C)c1ccc2sc3ccc(C(C)=NNC(=[NH2+])NC)cc3c2c1	ZINC000017125805	558823328	/nfs/dbraw/zinc/82/33/28/558823328.db2.gz	XCSSSGMWRCNFBK-UIXGLJBASA-N	2	2	408.535	2.990	40	30		HFEBLP
C=CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000067870686	560050548	/nfs/dbraw/zinc/05/05/48/560050548.db2.gz	YZQGKSINIOZBGF-BBTUJRGHSA-N	2	2	401.624	2.867	40	30	biogenic,in-vitro	HFEBLP
C=CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000067870686	560050550	/nfs/dbraw/zinc/05/05/50/560050550.db2.gz	YZQGKSINIOZBGF-BBTUJRGHSA-N	2	2	401.624	2.867	40	30	biogenic,in-vitro	HFEBLP
C=CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000067870686	560050552	/nfs/dbraw/zinc/05/05/52/560050552.db2.gz	YZQGKSINIOZBGF-BBTUJRGHSA-N	2	2	401.624	2.867	40	30	biogenic,in-vitro	HFEBLP
C=CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000067870686	560050554	/nfs/dbraw/zinc/05/05/54/560050554.db2.gz	YZQGKSINIOZBGF-BBTUJRGHSA-N	2	2	401.624	2.867	40	30	biogenic,in-vitro	HFEBLP
CCCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COCCCCCCC	ZINC000104060124	559157606	/nfs/dbraw/zinc/15/76/06/559157606.db2.gz	MOTRYGPIULYXRV-FGZHOGPDSA-N	2	2	404.636	2.861	40	30		HFEBLP
CNC(=[NH2+])NN=C(C)c1ccc2sc3ccc(C(C)=NNC(=[NH2+])NC)cc3c2c1	ZINC000017125807	558823319	/nfs/dbraw/zinc/82/33/19/558823319.db2.gz	XCSSSGMWRCNFBK-RSKRUZOQSA-N	2	2	408.535	2.571	40	30		HFEBLP
CCCCCCCOC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCCC	ZINC000104060118	559157624	/nfs/dbraw/zinc/15/76/24/559157624.db2.gz	MOTRYGPIULYXRV-VXKWHMMOSA-N	2	2	404.636	2.861	40	30		HFEBLP
C#CCNC(=O)[C@@H]1Cc2cn(Cc3[nH+]ccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171777	518284346	/nfs/dbraw/zinc/28/43/46/518284346.db2.gz	MFYYWYIXUBMMSK-PMACEKPBSA-N	2	2	403.530	2.774	40	30	biogenic,in-vitro	HFEBLP
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+]1CCOCC1)C2	ZINC000049171830	519283142	/nfs/dbraw/zinc/28/31/42/519283142.db2.gz	HOTOJZPGHJFMGF-VXKWHMMOSA-N	2	2	424.589	2.877	40	30	biogenic,in-vitro	HFEBLP
CCNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1cc(C(C)=NNC(=[NH2+])NCC)ccc1-2	ZINC000017120210	558823041	/nfs/dbraw/zinc/82/30/41/558823041.db2.gz	KZBMQLJHISJQNL-UCVGCXKCSA-N	2	2	418.549	2.974	40	30		HFEBLP
CCNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1cc(C(C)=NNC(=[NH2+])NCC)ccc1-2	ZINC000017120213	558823113	/nfs/dbraw/zinc/82/31/13/558823113.db2.gz	KZBMQLJHISJQNL-SYACUJGXSA-N	2	2	418.549	2.974	40	30		HFEBLP
CCCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCCC	ZINC000104060113	559157628	/nfs/dbraw/zinc/15/76/28/559157628.db2.gz	MOTRYGPIULYXRV-SZPZYZBQSA-N	2	2	404.636	2.861	40	30		HFEBLP
C=CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1	ZINC000067870647	571110623	/nfs/dbraw/zinc/11/06/23/571110623.db2.gz	UPPWMFKQOZDTOT-JENIJYKNSA-N	2	2	418.607	2.818	40	30	biogenic,in-vitro	HFEBLP
C=CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1	ZINC000067870647	571110625	/nfs/dbraw/zinc/11/06/25/571110625.db2.gz	UPPWMFKQOZDTOT-JENIJYKNSA-N	2	2	418.607	2.818	40	30	biogenic,in-vitro	HFEBLP
C=CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1	ZINC000067870647	571110628	/nfs/dbraw/zinc/11/06/28/571110628.db2.gz	UPPWMFKQOZDTOT-JENIJYKNSA-N	2	2	418.607	2.818	40	30	biogenic,in-vitro	HFEBLP
C=CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1	ZINC000067870647	571110633	/nfs/dbraw/zinc/11/06/33/571110633.db2.gz	UPPWMFKQOZDTOT-JENIJYKNSA-N	2	2	418.607	2.818	40	30	biogenic,in-vitro	HFEBLP
CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC000022469131	568486367	/nfs/dbraw/zinc/48/63/67/568486367.db2.gz	KXYGKFLOSGUIOX-UHFFFAOYSA-N	2	2	423.586	2.754	40	30		HFEBLP
CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)CC1	ZINC000022469131	568486368	/nfs/dbraw/zinc/48/63/68/568486368.db2.gz	KXYGKFLOSGUIOX-UHFFFAOYSA-N	2	2	423.586	2.754	40	30		HFEBLP