smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c(CNC2=[NH+]CCN2)c(CC)c(CNC2=[NH+]CCN2)c(CC)c1CNC1=[NH+]CCN1	ZINC000001651691	562922510	/nfs/dbraw/zinc/92/25/10/562922510.db2.gz	YAIPPGSSMGRYPF-UHFFFAOYSA-N	3	0	453.639	0.520	1	0		JCAFRP
[NH3+]C[C@@H](O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NC[C@H](O)C[NH3+])cc3)o2)cc1	ZINC000001660291	562922883	/nfs/dbraw/zinc/92/28/83/562922883.db2.gz	RQGHIDYFWJEUMR-WOJBJXKFSA-N	2	0	452.511	0.712	1	0		JCAFRP
[NH3+]C[C@@H](O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NC[C@@H](O)C[NH3+])cc3)o2)cc1	ZINC000001660292	562922895	/nfs/dbraw/zinc/92/28/95/562922895.db2.gz	RQGHIDYFWJEUMR-BGYRXZFFSA-N	2	0	452.511	0.712	1	0		JCAFRP
[NH3+]C[C@H](O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NC[C@@H](O)C[NH3+])cc3)o2)cc1	ZINC000001660294	562922884	/nfs/dbraw/zinc/92/28/84/562922884.db2.gz	RQGHIDYFWJEUMR-PMACEKPBSA-N	2	0	452.511	0.712	1	0		JCAFRP
O=C(Nc1cc(C2=[NH+]CCN2)cc(C2=[NH+]CCN2)c1)Nc1cc(C2=[NH+]CCN2)cc(C2=[NH+]CCN2)c1	ZINC000001682418	562923228	/nfs/dbraw/zinc/92/32/28/562923228.db2.gz	XPBVDUORJUKCJH-UHFFFAOYSA-N	4	0	484.568	0.730	1	0		JCAFRP
CNC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[NH2+]C)C1CCC([NH3+])CC1	ZINC000003807300	581095560	/nfs/dbraw/zinc/09/55/60/581095560.db2.gz	ISJCFAFNSYZJRO-KJFGXLEFSA-N	2	0	471.602	0.126	1	0		JCAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873181	560190969	/nfs/dbraw/zinc/19/09/69/560190969.db2.gz	YUTZYVTZDVZBJJ-HOJAQTOUSA-N	2	0	460.579	0.350	1	0	in-vitro	JCAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873182	560190981	/nfs/dbraw/zinc/19/09/81/560190981.db2.gz	YUTZYVTZDVZBJJ-YZGWKJHDSA-N	2	0	460.579	0.350	1	0	in-vitro	JCAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873183	560190991	/nfs/dbraw/zinc/19/09/91/560190991.db2.gz	YUTZYVTZDVZBJJ-RLLQIKCJSA-N	2	0	460.579	0.350	1	0	in-vitro	JCAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873184	560190985	/nfs/dbraw/zinc/19/09/85/560190985.db2.gz	YUTZYVTZDVZBJJ-MISYRCLQSA-N	2	0	460.579	0.350	1	0	in-vitro	JCAFRP
COC(=O)CNC(=O)C[C@]1(C(=O)Nc2ccc(C(N)=[NH2+])cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000003959238	562931006	/nfs/dbraw/zinc/93/10/06/562931006.db2.gz	NJDVSDYMSQDJMZ-QHCPKHFHSA-N	2	0	479.497	0.436	1	0		JCAFRP
COC(=O)CNC(=O)C[C@@]1(C(=O)Nc2ccc(C(N)=[NH2+])cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000011686103	562957471	/nfs/dbraw/zinc/95/74/71/562957471.db2.gz	NJDVSDYMSQDJMZ-HSZRJFAPSA-N	2	0	479.497	0.436	1	0		JCAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccn1C	ZINC000013612381	562979559	/nfs/dbraw/zinc/97/95/59/562979559.db2.gz	AZDLSQYZJKUEPP-ZCNNSNEGSA-N	2	0	496.616	0.173	1	0		JCAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000013612385	562979562	/nfs/dbraw/zinc/97/95/62/562979562.db2.gz	GZUGRLHDTNRHQF-OTWHNJEPSA-N	2	0	499.641	0.896	1	0		JCAFRP
Nc1[nH]c([C@H]2[C@H](CNC(=O)c3ccc[nH]3)[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2c2c[nH+]c(N)[nH]2)c[nH+]1	ZINC000014692262	563006289	/nfs/dbraw/zinc/00/62/89/563006289.db2.gz	GKTDJKRRZLVEPY-GWIYSAMLSA-N	2	0	462.518	0.927	1	0		JCAFRP
O=C(CN1CC[NH2+]CC1)Nc1nc2cc3nc(NC(=O)CN4CC[NH2+]CC4)sc3cc2s1	ZINC000027109798	563040677	/nfs/dbraw/zinc/04/06/77/563040677.db2.gz	SGYYYPILVWEJHQ-UHFFFAOYSA-N	2	0	474.616	0.593	1	0		JCAFRP
[NH3+]CCC[NH2+]CCNCCC[NH2+]Cc1ccc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc1	ZINC000027201881	563041463	/nfs/dbraw/zinc/04/14/63/563041463.db2.gz	CMCAORMBPMZBMS-UHFFFAOYSA-N	5	0	476.758	0.059	1	0		JCAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)c1nccs1	ZINC000027518653	563044653	/nfs/dbraw/zinc/04/46/53/563044653.db2.gz	ADVQATPYEGKJGJ-SQNIBIBYSA-N	2	0	485.614	0.635	1	0		JCAFRP
[NH3+]CCOCCOCC[NH2+][C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000027993803	563054113	/nfs/dbraw/zinc/05/41/13/563054113.db2.gz	ZHYDNEMAJISDOR-PUKUCHAGSA-N	3	0	473.614	0.906	1	0		JCAFRP
[NH3+]CC[C@@H](NC(=O)c1ccc(-c2cccc(NC(=O)c3nncs3)c2)o1)C(=O)N1CC[NH2+]CC1	ZINC000028375747	563062590	/nfs/dbraw/zinc/06/25/90/563062590.db2.gz	LEZGECTUNGUHQF-MRXNPFEDSA-N	2	0	483.554	0.929	1	0		JCAFRP
[NH3+]CC[C@@H](NC(=O)c1ccc(-c2cccc(NC(=O)c3cnccn3)c2)o1)C(=O)N1CC[NH2+]CC1	ZINC000028393559	563063679	/nfs/dbraw/zinc/06/36/79/563063679.db2.gz	SNVZECQJFFPKES-GOSISDBHSA-N	2	0	477.525	0.868	1	0		JCAFRP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH2+]CC1	ZINC000028644554	563073184	/nfs/dbraw/zinc/07/31/84/563073184.db2.gz	KADIXGVHPDCHPF-AWEZNQCLSA-N	2	0	450.487	0.047	1	0		JCAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12)C(=O)c1nccs1	ZINC000028770845	563079155	/nfs/dbraw/zinc/07/91/55/563079155.db2.gz	OFHIDRGUDULJBU-AXHZCLLHSA-N	2	0	498.657	0.709	1	0		JCAFRP
CC(C)[C@H]([NH3+])C(=O)OCC(CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H]([NH3+])C(C)C	ZINC000029487172	563105648	/nfs/dbraw/zinc/10/56/48/563105648.db2.gz	BUJCBKFRNASPSP-KBPBESRZSA-N	2	0	451.528	0.173	1	0		JCAFRP
CC[C@H](C)[C@H]([NH3+])C(=O)OCC(CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H]([NH3+])[C@@H](C)CC	ZINC000029549010	563106209	/nfs/dbraw/zinc/10/62/09/563106209.db2.gz	RBHOGQILJNHZHG-SDADXPQNSA-N	2	0	479.582	0.954	1	0		JCAFRP
CC[C@@H](C)[C@H]([NH3+])C(=O)OCC(CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H]([NH3+])[C@H](C)CC	ZINC000029549013	563106225	/nfs/dbraw/zinc/10/62/25/563106225.db2.gz	RBHOGQILJNHZHG-VDERGJSUSA-N	2	0	479.582	0.954	1	0		JCAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040576681	563146507	/nfs/dbraw/zinc/14/65/07/563146507.db2.gz	JAVIVDMPFGTNOZ-MPZDIEGVSA-N	4	0	467.409	0.651	1	0		JCAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040753739	563147809	/nfs/dbraw/zinc/14/78/09/563147809.db2.gz	JAGDUUIZQYSWGY-NMWPEEMBSA-N	4	0	466.516	0.363	1	0		JCAFRP
NC(=[NH2+])NCCCn1c(C(=O)NCCc2ccc(O)cc2)cc2cc(NC(=O)CNC(N)=[NH2+])ccc21	ZINC000040895030	563153772	/nfs/dbraw/zinc/15/37/72/563153772.db2.gz	MICXLJMNLUKZGY-UHFFFAOYSA-N	2	0	493.572	0.614	1	0		JCAFRP
O=C(CNC1=[NH+]CCN1)Nc1ccc(NC(=O)Nc2ccc(NC(=O)CNC3=[NH+]CCN3)cc2)cc1	ZINC000045202460	563178674	/nfs/dbraw/zinc/17/86/74/563178674.db2.gz	LZXYPYZXNLOWFV-UHFFFAOYSA-N	2	0	492.544	0.305	1	0		JCAFRP
CC(C)(C)c1ncc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)[nH]1	ZINC000045284047	563183511	/nfs/dbraw/zinc/18/35/11/563183511.db2.gz	JHTNJOAXCGGUCE-ROUUACIJSA-N	2	0	456.595	0.641	1	0		JCAFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1	ZINC000045287107	563184116	/nfs/dbraw/zinc/18/41/16/563184116.db2.gz	BFGIOSXIBISUPC-VJYSTVOCSA-N	2	0	459.595	0.668	1	0		JCAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc(C2CCC2)[nH]1)C(=O)NCc1ccccc1	ZINC000045290698	563184988	/nfs/dbraw/zinc/18/49/88/563184988.db2.gz	LXIDOTNBMGTCAJ-OALUTQOASA-N	2	0	454.579	0.611	1	0		JCAFRP
CC1(C)O[C@@H]2[C@H](C[NH2+]CCNC(N)=[NH2+])O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]2O1	ZINC000049113006	563202542	/nfs/dbraw/zinc/20/25/42/563202542.db2.gz	IQUGIGRDWWGORW-YXYSEUPNSA-N	2	0	458.563	0.577	1	0		JCAFRP
C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC)C[C@]32[C@H](C)CC1	ZINC000103524718	291435926	/nfs/dbraw/zinc/43/59/26/291435926.db2.gz	FCJIOKJCMDMFJT-ZVTCBOILSA-N	2	0	475.634	0.980	1	0	biogenic,in-vitro	JCAFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)c1nccs1	ZINC000169717518	581098054	/nfs/dbraw/zinc/09/80/54/581098054.db2.gz	ADVQATPYEGKJGJ-KSZLIROESA-N	2	0	485.614	0.635	1	0		JCAFRP