smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C1NC[C@@H](Cc2cccc(F)c2)C(=[NH2+])N1	ZINC000013757739	181338719	/nfs/dbraw/zinc/33/87/19/181338719.db2.gz	XOJSBWRVAWZFDY-MRVPVSSYSA-N	2	0	220.251	0.670	1	0		BCAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc1ccccc1	ZINC000103239264	181189731	/nfs/dbraw/zinc/18/97/31/181189731.db2.gz	UUPMNTQKEFGQIO-JTQLQIEISA-N	2	0	249.318	0.216	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2cccc(CO)c2)C(=[NH2+])N1	ZINC000013757680	181207599	/nfs/dbraw/zinc/20/75/99/181207599.db2.gz	JGFFSKUMUVJYBC-JTQLQIEISA-N	2	0	232.287	0.442	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2cccc(O)c2)C(=[NH2+])N1	ZINC000013757689	181208060	/nfs/dbraw/zinc/20/80/60/181208060.db2.gz	LZPWIAMCHOARHU-QMMMGPOBSA-N	2	0	218.260	0.656	1	0		BCAFRP
[NH3+]CCC(=O)NC[C@H]([NH3+])Cc1ccccc1	ZINC000040828553	181367768	/nfs/dbraw/zinc/36/77/68/181367768.db2.gz	NLBBUNXLZBVJIF-LLVKDONJSA-N	2	0	221.304	0.021	1	0		BCAFRP
CC(C)=CCNC(=[NH2+])NCCCCNC(N)=[NH2+]	ZINC000043017470	187948533	/nfs/dbraw/zinc/94/85/33/187948533.db2.gz	CQWDNBZZMTWKGD-UHFFFAOYSA-N	2	0	240.355	0.330	1	0		BCAFRP
NC(=[NH2+])c1cc(-c2ccnc(C(N)=[NH2+])c2)ccn1	ZINC000000011920	181192853	/nfs/dbraw/zinc/19/28/53/181192853.db2.gz	YYMQJGIRGGDLAL-UHFFFAOYSA-N	2	0	240.270	0.712	1	0		BCAFRP
C[C@@H]([NH3+])CO[C@H](C)CO[C@H](C)COC[C@H](C)[NH3+]	ZINC000034475878	176761038	/nfs/dbraw/zinc/76/10/38/176761038.db2.gz	WTFAGPBUAGFMQX-IRCOFANPSA-N	2	0	248.367	0.508	1	0		BCAFRP
Cn1cc[n+](-c2ccc(-[n+]3ccn(C)c3)cc2)c1	ZINC000073156812	187277377	/nfs/dbraw/zinc/27/73/77/187277377.db2.gz	LPFFDNOPHKHNJB-UHFFFAOYSA-N	2	0	240.310	0.917	1	0		BCAFRP
Cc1cccc(C[C@@H]2CNC(=[NH2+])NC2=[NH2+])c1	ZINC000013757658	179104955	/nfs/dbraw/zinc/10/49/55/179104955.db2.gz	RJFKHUXSEOMHCE-SNVBAGLBSA-N	2	0	216.288	0.839	1	0		BCAFRP
[NH3+]CCCC[NH2+]CCCN1CCOC1=O	ZINC000001641917	181377242	/nfs/dbraw/zinc/37/72/42/181377242.db2.gz	IGKSIBGAHGEJBE-UHFFFAOYSA-N	2	0	215.297	0.157	1	0		BCAFRP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1N	ZINC000028253026	534963182	/nfs/dbraw/zinc/96/31/82/534963182.db2.gz	XBDYUJWBTZEGOU-UHFFFAOYSA-N	2	0	232.291	0.454	1	0		BCAFRP
C/C=C/CON1C(=N)NC(=[NH2+])NC1(C)C	ZINC000045186599	188297521	/nfs/dbraw/zinc/29/75/21/188297521.db2.gz	KXAYRWLRLANBHP-SNAWJCMRSA-N	2	0	211.269	0.595	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2cc(O)cc(O)c2)C(=[NH2+])N1	ZINC000013757726	181207915	/nfs/dbraw/zinc/20/79/15/181207915.db2.gz	VEYHLVJHEUZXAA-ZETCQYMHSA-N	2	0	234.259	0.361	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2ccc(F)cc2)C(=[NH2+])N1	ZINC000013757637	181338729	/nfs/dbraw/zinc/33/87/29/181338729.db2.gz	DNBQLUIAJYMPNG-QMMMGPOBSA-N	2	0	220.251	0.670	1	0		BCAFRP
[NH2+]=C1NC[C@@H](Cc2cccc(CO)c2)C(=[NH2+])N1	ZINC000013757678	181338868	/nfs/dbraw/zinc/33/88/68/181338868.db2.gz	JGFFSKUMUVJYBC-SNVBAGLBSA-N	2	0	232.287	0.023	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2ccc(O)cc2)C(=[NH2+])N1	ZINC000013757832	181339064	/nfs/dbraw/zinc/33/90/64/181339064.db2.gz	MSWFGUWKPUQAJI-QMMMGPOBSA-N	2	0	218.260	0.236	1	0		BCAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N1CCCCCC1	ZINC000027558690	181378314	/nfs/dbraw/zinc/37/83/14/181378314.db2.gz	LGMXOURXHLZXPU-LLVKDONJSA-N	2	0	227.352	0.845	1	0		BCAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCCCC1	ZINC000013529438	181378584	/nfs/dbraw/zinc/37/85/84/181378584.db2.gz	LGMXOURXHLZXPU-NSHDSACASA-N	2	0	227.352	0.845	1	0		BCAFRP
COc1cccc(C[C@@H]2CNC(=[NH2+])NC2=[NH2+])c1	ZINC000013757713	175271937	/nfs/dbraw/zinc/27/19/37/175271937.db2.gz	FXSZBFQPEMALCX-SECBINFHSA-N	2	0	232.287	0.539	1	0		BCAFRP
C/C=C\CON1C(=N)NC(=[NH2+])NC1(C)C	ZINC000064256523	187274170	/nfs/dbraw/zinc/27/41/70/187274170.db2.gz	KXAYRWLRLANBHP-PLNGDYQASA-N	2	0	211.269	0.385	1	0		BCAFRP
Cc1ccc(N2CNC(=[NH2+])NC2=[NH2+])cc1	ZINC000028128606	132333927	/nfs/dbraw/zinc/33/39/27/132333927.db2.gz	YRPVORXGCRKKRO-UHFFFAOYSA-N	2	0	203.249	0.402	1	0		BCAFRP
[NH3+]CCC[NH2+]CCCNC1=[NH+]CCCCC1	ZINC000064453751	181382059	/nfs/dbraw/zinc/38/20/59/181382059.db2.gz	KQJZEBPRMQJTLN-UHFFFAOYSA-N	3	0	226.368	0.877	1	0		BCAFRP
[NH3+]CCCNC(F)(F)CCC[NH2+]CCC[NH3+]	ZINC000013650024	181382467	/nfs/dbraw/zinc/38/24/67/181382467.db2.gz	GTWPTZAMAIOXBH-UHFFFAOYSA-N	3	0	238.326	0.236	1	0		BCAFRP
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCCCC2	ZINC000049049022	132355645	/nfs/dbraw/zinc/35/56/45/132355645.db2.gz	NLRUBMZDYVYEOE-UHFFFAOYSA-N	2	0	247.346	0.737	1	0		BCAFRP
C[C@@H]([NH3+])COC[C@@H](C)OC[C@@H](C)OC[C@@H](C)[NH3+]	ZINC000034475879	175806718	/nfs/dbraw/zinc/80/67/18/175806718.db2.gz	WTFAGPBUAGFMQX-DDHJBXDOSA-N	2	0	248.367	0.508	1	0		BCAFRP
COc1ccc(C[C@@H]2CNC(=[NH2+])NC2=[NH2+])cc1	ZINC000013757758	187415315	/nfs/dbraw/zinc/41/53/15/187415315.db2.gz	YEWYWWJKFYYMNO-SECBINFHSA-N	2	0	232.287	0.959	1	0		BCAFRP
[NH3+]CCCCN1CCC[N@H+](CCCC[NH3+])CC1	ZINC000022938130	181376237	/nfs/dbraw/zinc/37/62/37/181376237.db2.gz	PHLWKPSLVBKLAC-UHFFFAOYSA-N	3	0	242.411	0.472	1	0		BCAFRP
[NH3+]CC[C@H]1C[NH+]=C(NC(C2CC2)C2CC2)N1	ZINC000066166926	181410768	/nfs/dbraw/zinc/41/07/68/181410768.db2.gz	VFMUCIFOFQPLDP-JTQLQIEISA-N	2	0	222.336	0.441	1	0		BCAFRP
O=c1ccc2[nH+]c(N3CC[NH2+]CC3)c[nH]c-2c1	ZINC000025966640	132333194	/nfs/dbraw/zinc/33/31/94/132333194.db2.gz	KYFDYSTWCFITTH-UHFFFAOYSA-N	2	0	230.271	0.745	1	0		BCAFRP
COc1ccc(NC2=[NH+]C[C@H](CC[NH3+])N2)cc1	ZINC000066167069	175149937	/nfs/dbraw/zinc/14/99/37/175149937.db2.gz	HKWPIUWXNIFZLF-JTQLQIEISA-N	2	0	234.303	0.784	1	0		BCAFRP
Cc1cc(C[C@H]2CNC(=[NH2+])NC2=[NH2+])cc(C)c1O	ZINC000013757804	178058128	/nfs/dbraw/zinc/05/81/28/178058128.db2.gz	CUEOPJOAMXKQSU-JTQLQIEISA-N	2	0	246.314	0.853	1	0		BCAFRP
COc1cccc(C[C@H]2CNC(=[NH2+])NC2=[NH2+])c1	ZINC000013757715	175272570	/nfs/dbraw/zinc/27/25/70/175272570.db2.gz	FXSZBFQPEMALCX-VIFPVBQESA-N	2	0	232.287	0.959	1	0		BCAFRP
NC(=[NH2+])c1ccnc(-c2cc(C(N)=[NH2+])ccn2)c1	ZINC000000011921	181197723	/nfs/dbraw/zinc/19/77/23/181197723.db2.gz	WWBZFGAIRFFISN-UHFFFAOYSA-N	2	0	240.270	0.712	1	0		BCAFRP
[NH2+]=C1NC[C@@H](Cc2ccccc2)C(=[NH2+])N1	ZINC000013757741	181207463	/nfs/dbraw/zinc/20/74/63/181207463.db2.gz	QQDUOWXAVYFFOJ-SECBINFHSA-N	2	0	202.261	0.950	1	0		BCAFRP
[NH2+]=C1NC[C@@H](Cc2ccc(O)cc2)C(=[NH2+])N1	ZINC000013757830	181207667	/nfs/dbraw/zinc/20/76/67/181207667.db2.gz	MSWFGUWKPUQAJI-MRVPVSSYSA-N	2	0	218.260	0.656	1	0		BCAFRP
[NH2+]=C1NC[C@H](Cc2ccccc2)C(=[NH2+])N1	ZINC000013757743	181338905	/nfs/dbraw/zinc/33/89/05/181338905.db2.gz	QQDUOWXAVYFFOJ-VIFPVBQESA-N	2	0	202.261	0.531	1	0		BCAFRP
[NH2+]=C1NC[C@@H](Cc2cccc(O)c2)C(=[NH2+])N1	ZINC000013757687	181339383	/nfs/dbraw/zinc/33/93/83/181339383.db2.gz	LZPWIAMCHOARHU-MRVPVSSYSA-N	2	0	218.260	0.236	1	0		BCAFRP
[NH3+]CCC[NH2+]CCCCN1CCOC1=O	ZINC000001641918	181382151	/nfs/dbraw/zinc/38/21/51/181382151.db2.gz	FYXFEEQRPLBNDI-UHFFFAOYSA-N	2	0	215.297	0.157	1	0		BCAFRP
COCC(=O)CCCCC[NH2+]CCC[NH3+]	ZINC000096282271	188500538	/nfs/dbraw/zinc/50/05/38/188500538.db2.gz	BFJLWELDVRFUJA-UHFFFAOYSA-N	2	0	216.325	0.701	1	0		BCAFRP