smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[nH]n1	ZINC000159564674	473040072	/nfs/dbraw/zinc/04/00/72/473040072.db2.gz	SFCZPNUCFFFGMJ-LBPRGKRZSA-N	1	2	338.415	2.871	40	70		EFIBLO
OC[C@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)[nH+]cn1	ZINC000161071165	473204879	/nfs/dbraw/zinc/20/48/79/473204879.db2.gz	YHAOKMGYBKYEQS-TZMCWYRMSA-N	1	2	330.457	2.989	40	70		EFIBLO
OC[C@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)nc[nH+]1	ZINC000161071165	473204883	/nfs/dbraw/zinc/20/48/83/473204883.db2.gz	YHAOKMGYBKYEQS-TZMCWYRMSA-N	1	2	330.457	2.989	40	70		EFIBLO
C[N@H+](Cc1cccc(O)c1)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000160504949	473134142	/nfs/dbraw/zinc/13/41/42/473134142.db2.gz	QPWINUOZJQEITJ-OAHLLOKOSA-N	1	2	349.228	2.813	40	70		EFIBLO
C[N@@H+](Cc1cccc(O)c1)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000160504949	473134148	/nfs/dbraw/zinc/13/41/48/473134148.db2.gz	QPWINUOZJQEITJ-OAHLLOKOSA-N	1	2	349.228	2.813	40	70		EFIBLO
Cc1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)o1	ZINC000159779331	534044774	/nfs/dbraw/zinc/04/47/74/534044774.db2.gz	XDKUFWNPVVEJMK-OAHLLOKOSA-N	1	2	342.443	2.880	40	70		EFIBLO
COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1	ZINC000161035520	206324778	/nfs/dbraw/zinc/32/47/78/206324778.db2.gz	HZKGEHJSKKUVRT-DGCLKSJQSA-N	1	2	348.428	2.846	40	70		EFIBLO
C[N@H+](Cc1cccc(O)c1)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160504816	473133522	/nfs/dbraw/zinc/13/35/22/473133522.db2.gz	QPWINUOZJQEITJ-HNNXBMFYSA-N	1	2	349.228	2.813	40	70		EFIBLO
C[N@@H+](Cc1cccc(O)c1)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160504816	473133529	/nfs/dbraw/zinc/13/35/29/473133529.db2.gz	QPWINUOZJQEITJ-HNNXBMFYSA-N	1	2	349.228	2.813	40	70		EFIBLO
COc1ccc(OC)c(C[N@H+](C)Cc2nc3c(nccc3C)[nH]2)c1	ZINC000160723502	473165374	/nfs/dbraw/zinc/16/53/74/473165374.db2.gz	DBBGUQUVSSASBG-UHFFFAOYSA-N	1	2	326.400	2.916	40	70		EFIBLO
COc1ccc(OC)c(C[N@@H+](C)Cc2nc3c(nccc3C)[nH]2)c1	ZINC000160723502	473165380	/nfs/dbraw/zinc/16/53/80/473165380.db2.gz	DBBGUQUVSSASBG-UHFFFAOYSA-N	1	2	326.400	2.916	40	70		EFIBLO
COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1	ZINC000161035381	473200942	/nfs/dbraw/zinc/20/09/42/473200942.db2.gz	HZKGEHJSKKUVRT-AAEUAGOBSA-N	1	2	348.428	2.846	40	70		EFIBLO
CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nccs1	ZINC000160334501	323222342	/nfs/dbraw/zinc/22/23/42/323222342.db2.gz	WANPPFDHLCFWCE-OAHLLOKOSA-N	1	2	345.472	2.517	40	70		EFIBLO
COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1	ZINC000161035642	473201046	/nfs/dbraw/zinc/20/10/46/473201046.db2.gz	HZKGEHJSKKUVRT-WCQYABFASA-N	1	2	348.428	2.846	40	70		EFIBLO
COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1	ZINC000161035254	206325229	/nfs/dbraw/zinc/32/52/29/206325229.db2.gz	HZKGEHJSKKUVRT-YPMHNXCESA-N	1	2	348.428	2.846	40	70		EFIBLO
Cc1cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)o1	ZINC000159779481	473060916	/nfs/dbraw/zinc/06/09/16/473060916.db2.gz	XDKUFWNPVVEJMK-HNNXBMFYSA-N	1	2	342.443	2.880	40	70		EFIBLO
OC[C@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)[nH+]cn1	ZINC000161071285	473204792	/nfs/dbraw/zinc/20/47/92/473204792.db2.gz	YHAOKMGYBKYEQS-OCCSQVGLSA-N	1	2	330.457	2.989	40	70		EFIBLO
OC[C@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)nc[nH+]1	ZINC000161071285	473204795	/nfs/dbraw/zinc/20/47/95/473204795.db2.gz	YHAOKMGYBKYEQS-OCCSQVGLSA-N	1	2	330.457	2.989	40	70		EFIBLO
Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[nH]n1	ZINC000159564556	225239858	/nfs/dbraw/zinc/23/98/58/225239858.db2.gz	SFCZPNUCFFFGMJ-GFCCVEGCSA-N	1	2	338.415	2.871	40	70		EFIBLO
CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nccs1	ZINC000160334395	323222333	/nfs/dbraw/zinc/22/23/33/323222333.db2.gz	WANPPFDHLCFWCE-HNNXBMFYSA-N	1	2	345.472	2.517	40	70		EFIBLO
C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccsc1	ZINC000160524943	473137937	/nfs/dbraw/zinc/13/79/37/473137937.db2.gz	XYAMOOGIGOJEOR-OAHLLOKOSA-N	1	2	344.484	2.774	40	70		EFIBLO
O=C(Cc1cccs1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1	ZINC000160170836	534736075	/nfs/dbraw/zinc/73/60/75/534736075.db2.gz	QNXVBCHHVKQIPN-UHFFFAOYSA-N	1	2	326.425	2.516	40	70		EFIBLO
C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccsc1	ZINC000160524818	473137744	/nfs/dbraw/zinc/13/77/44/473137744.db2.gz	XYAMOOGIGOJEOR-HNNXBMFYSA-N	1	2	344.484	2.774	40	70		EFIBLO