smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])N=NC1CCC(N=NC(N)=[NH2+])CC1	ZINC000000492520	181190831	/nfs/dbraw/zinc/19/08/31/181190831.db2.gz	HEPQODZXYFHKOQ-UHFFFAOYSA-N	2	0	224.272	-0.761	50	30	in-vitro	BBEARP
NC(=[NH2+])NN=Cc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000001694077	181188247	/nfs/dbraw/zinc/18/82/47/181188247.db2.gz	DJQYBCUFGZTQSR-IAGONARPSA-N	2	0	246.278	-0.679	50	30	in-vitro	BBEARP
C[NH+](C)CCC[NH2+]CCCNC(=O)/C=N/O	ZINC000001789425	387786446	/nfs/dbraw/zinc/78/64/46/387786446.db2.gz	DDHXMDITSNVXAI-UKTHLTGXSA-N	2	0	230.312	-0.506	50	30		BBEARP
C[NH+](C)CCC[NH2+]CCCCNC(=O)/C=N/O	ZINC000002348948	384147371	/nfs/dbraw/zinc/14/73/71/384147371.db2.gz	IXAQIGCWBJQRBH-GXDHUFHOSA-N	2	0	244.339	-0.116	50	30		BBEARP
NC(=[NH2+])NC(=[NH2+])Nc1ccc2c(c1)OCCO2	ZINC000003615964	181187623	/nfs/dbraw/zinc/18/76/23/181187623.db2.gz	GCYKHYROZLTOAL-UHFFFAOYSA-N	2	0	235.247	-0.113	50	30		BBEARP
C[NH+](C)CCCC[NH2+]CCCNC(=O)/C=N\O	ZINC000004996979	385286168	/nfs/dbraw/zinc/28/61/68/385286168.db2.gz	BSEMBRDCYNASJO-UVTDQMKNSA-N	2	0	244.339	-0.116	50	30		BBEARP
C[NH+](C)CCC[NH2+]CCNC(=O)/C=N\O	ZINC000005007538	172441955	/nfs/dbraw/zinc/44/19/55/172441955.db2.gz	ZFJVKXLXTFGCII-WQLSENKSSA-N	2	0	216.285	-0.896	50	30		BBEARP
NC(=[NH2+])NC(=[NH2+])NCCc1ccccc1	ZINC000005851063	181322813	/nfs/dbraw/zinc/32/28/13/181322813.db2.gz	ICFJFFQQTFMIBG-UHFFFAOYSA-N	2	0	205.265	-0.183	50	30	world	BBEARP
NC(=[NH2+])NN=Cc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000008622408	372812895	/nfs/dbraw/zinc/81/28/95/372812895.db2.gz	DJQYBCUFGZTQSR-UHFFFAOYSA-N	2	0	246.278	-0.679	50	30		BBEARP
C[NH+](C)CCC[NH2+]CCCNC(=O)/C=N\O	ZINC000013118478	384350294	/nfs/dbraw/zinc/35/02/94/384350294.db2.gz	DDHXMDITSNVXAI-LCYFTJDESA-N	2	0	230.312	-0.506	50	30		BBEARP
NC(=[NH2+])NCc1cccc(CNC(N)=[NH2+])c1	ZINC000027097319	181191421	/nfs/dbraw/zinc/19/14/21/181191421.db2.gz	VQLXBFWCXAIXEK-UHFFFAOYSA-N	2	0	220.280	-0.557	50	30		BBEARP
CCNC(NCCN1CC[NH2+]CC1)=[NH+]CC	ZINC000058168921	388376949	/nfs/dbraw/zinc/37/69/49/388376949.db2.gz	HAKJUDZPJBKUEL-UHFFFAOYSA-N	2	0	227.356	-0.533	50	30		BBEARP
CNC(=[NH2+])NC1CC[NH+](CCOC)CC1	ZINC000058184990	398072187	/nfs/dbraw/zinc/07/21/87/398072187.db2.gz	WMOZDCQJYZJSON-UHFFFAOYSA-N	2	0	214.313	-0.369	50	30		BBEARP
CNC(NC[C@@H]1CC[N@H+](CCOC)C1)=[NH+]C	ZINC000065440960	361566904	/nfs/dbraw/zinc/56/69/04/361566904.db2.gz	UDSUDMVZMBBTSK-JTQLQIEISA-N	2	0	228.340	-0.251	50	30		BBEARP
CNC(NC[C@H]1CC[N@H+](CCOC)C1)=[NH+]C	ZINC000065440962	361567066	/nfs/dbraw/zinc/56/70/66/361567066.db2.gz	UDSUDMVZMBBTSK-SNVBAGLBSA-N	2	0	228.340	-0.251	50	30		BBEARP
C=CCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1	ZINC000065532910	187785390	/nfs/dbraw/zinc/78/53/90/187785390.db2.gz	UMBWEWGWOWTBRS-NSHDSACASA-N	2	0	239.367	-0.287	50	30		BBEARP
C=CCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000065532914	388085086	/nfs/dbraw/zinc/08/50/86/388085086.db2.gz	UMBWEWGWOWTBRS-LLVKDONJSA-N	2	0	239.367	-0.287	50	30		BBEARP
CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NC)CC1	ZINC000069739800	373682867	/nfs/dbraw/zinc/68/28/67/373682867.db2.gz	MJSJPOMVJGHLGJ-JTQLQIEISA-N	2	0	227.356	-0.454	50	30		BBEARP
CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NC)CC1	ZINC000069739801	373682781	/nfs/dbraw/zinc/68/27/81/373682781.db2.gz	MJSJPOMVJGHLGJ-SNVBAGLBSA-N	2	0	227.356	-0.454	50	30		BBEARP
CCNC(NCCN1CC[NH+](C)CC1)=[NH+]CC	ZINC000069775514	170042478	/nfs/dbraw/zinc/04/24/78/170042478.db2.gz	HLRWDWOXGNWUTE-UHFFFAOYSA-N	2	0	241.383	-0.191	50	30		BBEARP
CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCOC)C1	ZINC000069920474	374040883	/nfs/dbraw/zinc/04/08/83/374040883.db2.gz	LSNPVAQGJDXRJK-SNVBAGLBSA-N	2	0	228.340	-0.121	50	30		BBEARP
CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCOC)C1	ZINC000069920478	374040592	/nfs/dbraw/zinc/04/05/92/374040592.db2.gz	LSNPVAQGJDXRJK-JTQLQIEISA-N	2	0	228.340	-0.121	50	30		BBEARP
CC(C)[N@H+](C)CCNC(=[NH2+])N1CCOCC1	ZINC000071847274	374309195	/nfs/dbraw/zinc/30/91/95/374309195.db2.gz	SNHVLVRPGKSPKZ-UHFFFAOYSA-N	2	0	228.340	-0.027	50	30		BBEARP
C#CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000072289599	166175151	/nfs/dbraw/zinc/17/51/51/166175151.db2.gz	QAISBOHKKXAIBX-UHFFFAOYSA-N	2	0	240.351	-0.246	50	30		BBEARP
C[NH+](C)CCC[N@H+](C)CCCNC(=O)/C=N/O	ZINC000095115845	524053282	/nfs/dbraw/zinc/05/32/82/524053282.db2.gz	MBDDLBNLGSMFCM-JLHYYAGUSA-N	2	0	244.339	-0.164	50	30		BBEARP
CCOCCNC1=[NH+]CCN1C1=[NH+]CCN1	ZINC000096027903	170355454	/nfs/dbraw/zinc/35/54/54/170355454.db2.gz	IFCHMYKODLEYJV-UHFFFAOYSA-N	2	0	225.296	-0.757	50	30		BBEARP
c1coc(CNC2=[NH+]CCN2C2=[NH+]CCN2)c1	ZINC000096027907	384421890	/nfs/dbraw/zinc/42/18/90/384421890.db2.gz	MDHPGYKJGKMFEO-UHFFFAOYSA-N	2	0	233.275	0.000	50	30		BBEARP
CNC(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)=[NH+]C	ZINC000097000897	173211393	/nfs/dbraw/zinc/21/13/93/173211393.db2.gz	KJIAQZMXWDQZSK-NXEZZACHSA-N	2	0	226.324	-0.356	50	30		BBEARP
CNC(NC[C@@H]1CCC[N@@H+]1CCOC)=[NH+]C	ZINC000097001379	173211366	/nfs/dbraw/zinc/21/13/66/173211366.db2.gz	VOXMHQYMCNCPGQ-JTQLQIEISA-N	2	0	228.340	-0.108	50	30		BBEARP
CNC(NCCN1CCC([NH+](C)C)CC1)=[NH+]C	ZINC000097011859	173211238	/nfs/dbraw/zinc/21/12/38/173211238.db2.gz	RMNBHGJJKRRBHM-UHFFFAOYSA-N	2	0	241.383	-0.193	50	30		BBEARP
C/C(=N\O)C(=O)NCCC[NH2+]CCC[NH+](C)C	ZINC000100820864	191063721	/nfs/dbraw/zinc/06/37/21/191063721.db2.gz	SNTFWFVDHYCKJV-GXDHUFHOSA-N	2	0	244.339	-0.116	50	30		BBEARP
C[NH+](C)CCC[NH2+]CCNC(=O)/C=N/O	ZINC000101939159	410137567	/nfs/dbraw/zinc/13/75/67/410137567.db2.gz	ZFJVKXLXTFGCII-XYOKQWHBSA-N	2	0	216.285	-0.896	50	30		BBEARP
CNC(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)=[NH+]C	ZINC000108456993	487829359	/nfs/dbraw/zinc/82/93/59/487829359.db2.gz	KJIAQZMXWDQZSK-VHSXEESVSA-N	2	0	226.324	-0.356	50	30		BBEARP
Cc1nnc(CC(=[NH2+])N[C@@H]2CC[NH2+]C2)[nH]1	ZINC000170619036	397824592	/nfs/dbraw/zinc/82/45/92/397824592.db2.gz	OCVIOZVDMMDIBU-SSDOTTSWSA-N	2	0	208.269	-0.625	50	30		BBEARP
Cc1nnc(CC(=[NH2+])N[C@H]2CC[NH2+]C2)[nH]1	ZINC000170619037	397824626	/nfs/dbraw/zinc/82/46/26/397824626.db2.gz	OCVIOZVDMMDIBU-ZETCQYMHSA-N	2	0	208.269	-0.625	50	30		BBEARP
CNC(NCCCC[NH+]1CCOCC1)=[NH+]C	ZINC000225528644	173210674	/nfs/dbraw/zinc/21/06/74/173210674.db2.gz	ODCIZUOUTPSGLQ-UHFFFAOYSA-N	2	0	228.340	-0.106	50	30		BBEARP
Cn1c(C=NNC(N)=[NH2+])c[n+]2ccccc12	ZINC000242648346	525397214	/nfs/dbraw/zinc/39/72/14/525397214.db2.gz	QTDVOSNJZZXXPC-UHFFFAOYSA-N	2	0	217.256	-0.419	50	30		BBEARP
Cc1cccc2n(C)c(C=NNC(N)=[NH2+])c[n+]21	ZINC000252621175	524973011	/nfs/dbraw/zinc/97/30/11/524973011.db2.gz	MULVAFSVDBMSDJ-UHFFFAOYSA-N	2	0	231.283	-0.111	50	30		BBEARP
CC[NH+](CC)CCNC1=[NH+]CC(O)CN1	ZINC000521396847	386008267	/nfs/dbraw/zinc/00/82/67/386008267.db2.gz	LDWVXSKMSHPECD-UHFFFAOYSA-N	2	0	214.313	-0.762	50	30		BBEARP