smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)c1nnc(-c2ccccc2)o1	ZINC000072311206	558778452	/nfs/dbraw/zinc/77/84/52/558778452.db2.gz	MENABGUXNVAINC-KRWDZBQOSA-N	2	2	405.502	4.121	50	30		HIEALP
C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000058166885	568500463	/nfs/dbraw/zinc/50/04/63/568500463.db2.gz	FOOXHOVXLNPCQR-UHFFFAOYSA-N	2	2	413.359	4.215	50	30		HIEALP
C=C(Cl)COc1nc2cc(SC)ccc2cc1C[NH2+]CCCn1cc[nH+]c1	ZINC000043056833	848379664	/nfs/dbraw/zinc/37/96/64/848379664.db2.gz	BDNSFOMWGMPCJO-UHFFFAOYSA-N	2	2	402.951	4.464	50	30		HIEALP
COc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[NH+]2CCCCC2)cc1	ZINC000022925629	525187756	/nfs/dbraw/zinc/18/77/56/525187756.db2.gz	HEJJGMIWEIBXGR-RUZDIDTESA-N	2	2	406.574	4.362	50	30		HIEALP
C[C@@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)c1nnc(-c2ccccc2)o1	ZINC000072311207	558778358	/nfs/dbraw/zinc/77/83/58/558778358.db2.gz	MENABGUXNVAINC-QGZVFWFLSA-N	2	2	405.502	4.121	50	30		HIEALP
N#Cc1cccc(C[N@@H+]2CCCn3nc(C[NH+]4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1	ZINC000072163789	559167106	/nfs/dbraw/zinc/16/71/06/559167106.db2.gz	CQZPUUWQUNXAFH-GOTSBHOMSA-N	2	2	403.574	4.173	50	30		HIEALP
N#Cc1cccc(C[N@H+]2CCCn3nc(C[NH+]4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1	ZINC000072163789	559167107	/nfs/dbraw/zinc/16/71/07/559167107.db2.gz	CQZPUUWQUNXAFH-GOTSBHOMSA-N	2	2	403.574	4.173	50	30		HIEALP
N#Cc1cccc(C[NH+]2CCCn3nc(C[N@@H+]4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1	ZINC000072163789	559167108	/nfs/dbraw/zinc/16/71/08/559167108.db2.gz	CQZPUUWQUNXAFH-GOTSBHOMSA-N	2	2	403.574	4.173	50	30		HIEALP
N#Cc1cccc(C[NH+]2CCCn3nc(C[N@H+]4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1	ZINC000072163789	559167109	/nfs/dbraw/zinc/16/71/09/559167109.db2.gz	CQZPUUWQUNXAFH-GOTSBHOMSA-N	2	2	403.574	4.173	50	30		HIEALP
NC(=[NH+]OCc1coc(-c2cccc(F)c2)n1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000084363211	568947474	/nfs/dbraw/zinc/94/74/74/568947474.db2.gz	BOXFVYSYTQLXFV-UHFFFAOYSA-N	2	2	408.477	4.304	50	30		HIEALP
COc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[NH+]2CCCCC2)cc1	ZINC000022925634	525362032	/nfs/dbraw/zinc/36/20/32/525362032.db2.gz	HEJJGMIWEIBXGR-VWLOTQADSA-N	2	2	406.574	4.362	50	30		HIEALP
O=C1c2ccc(O)c(C[NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993448	/nfs/dbraw/zinc/99/34/48/558993448.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	2	2	424.566	4.424	50	30		HIEALP
O=C1c2ccc(O)c(C[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993450	/nfs/dbraw/zinc/99/34/50/558993450.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	2	2	424.566	4.424	50	30		HIEALP
N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)cc1	ZINC000058208494	568899617	/nfs/dbraw/zinc/89/96/17/568899617.db2.gz	VBOMNKIYDSPRDH-UHFFFAOYSA-N	2	2	407.315	4.191	50	30		HIEALP
NC(=[NH+]OCc1coc(-c2cccc(F)c2)n1)c1ccccc1C[NH+]1CCCCC1	ZINC000058085033	558898252	/nfs/dbraw/zinc/89/82/52/558898252.db2.gz	HQNAIMASJCPVRI-UHFFFAOYSA-N	2	2	408.477	4.304	50	30		HIEALP