smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCCC/C(=N\OCC[NH2+]CC[NH3+])c1ccc(C(F)(F)F)cc1	ZINC000044699519	205110363	/nfs/dbraw/zinc/11/03/63/205110363.db2.gz	YBAOCNUGFGRFPC-XQNSMLJCSA-N	2	2	361.408	2.791	40	30	in-vitro	FFEBLP
C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055977	508204357	/nfs/dbraw/zinc/20/43/57/508204357.db2.gz	FXZVDXBPCQGZCO-UGKGYDQZSA-N	2	2	372.509	2.958	40	30		FFEBLP
C=CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055977	508204360	/nfs/dbraw/zinc/20/43/60/508204360.db2.gz	FXZVDXBPCQGZCO-UGKGYDQZSA-N	2	2	372.509	2.958	40	30		FFEBLP
C=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055977	508204363	/nfs/dbraw/zinc/20/43/63/508204363.db2.gz	FXZVDXBPCQGZCO-UGKGYDQZSA-N	2	2	372.509	2.958	40	30		FFEBLP
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055977	508204366	/nfs/dbraw/zinc/20/43/66/508204366.db2.gz	FXZVDXBPCQGZCO-UGKGYDQZSA-N	2	2	372.509	2.958	40	30		FFEBLP
C#CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1	ZINC000019014262	210154538	/nfs/dbraw/zinc/15/45/38/210154538.db2.gz	CZLIPYPWHAEPOG-RLAPIPATSA-N	2	2	354.494	2.631	40	30		FFEBLP
C#CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1	ZINC000019014262	210154542	/nfs/dbraw/zinc/15/45/42/210154542.db2.gz	CZLIPYPWHAEPOG-RLAPIPATSA-N	2	2	354.494	2.631	40	30		FFEBLP
C=C(C)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1	ZINC000013996203	518605430	/nfs/dbraw/zinc/60/54/30/518605430.db2.gz	FJVLYTXKDAYGLP-UHFFFAOYSA-N	2	2	359.489	2.758	40	30		FFEBLP
C=CCN1CCc2cc(-c3c[nH+]cn3[C@@H](C)C[NH+]3CCOCC3)ccc21	ZINC000019719369	263375498	/nfs/dbraw/zinc/37/54/98/263375498.db2.gz	OQJFOQOMATVBOK-KRWDZBQOSA-N	2	2	352.482	2.992	40	30		FFEBLP
C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c(C#Cc3ccccc3)c2)CC1	ZINC000012221363	506838380	/nfs/dbraw/zinc/83/83/80/506838380.db2.gz	NSVOQUFRRWEDDE-UHFFFAOYSA-N	2	2	370.456	2.660	40	30		FFEBLP
CCC[NH2+][C@@H](c1ccc(C=NNC(N)=[NH2+])cc1)C(Cl)(Cl)Cl	ZINC000031938617	507822467	/nfs/dbraw/zinc/82/24/67/507822467.db2.gz	CGHUFJUVOKWNPJ-WTBFLKMWSA-N	2	2	350.681	2.914	40	30		FFEBLP
C=CCN1CCc2cc(-c3c[nH+]cn3[C@H](C)C[NH+]3CCOCC3)ccc21	ZINC000019719370	263375502	/nfs/dbraw/zinc/37/55/02/263375502.db2.gz	OQJFOQOMATVBOK-QGZVFWFLSA-N	2	2	352.482	2.992	40	30		FFEBLP
CCC[NH2+][C@@H](c1ccc(C=NNC(N)=[NH2+])cc1)C(Cl)(Cl)Cl	ZINC000001667983	263144291	/nfs/dbraw/zinc/14/42/91/263144291.db2.gz	CGHUFJUVOKWNPJ-FEQLDZPWSA-N	2	2	350.681	2.914	40	30		FFEBLP
CN(C)c1ccc(/C=[NH+]/NC(=S)N/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000038799022	208206512	/nfs/dbraw/zinc/20/65/12/208206512.db2.gz	MBUQGKAMDXBKEA-IWXNDQKYSA-N	2	2	368.510	2.651	40	30		FFEBLP
C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000329637337	512080036	/nfs/dbraw/zinc/08/00/36/512080036.db2.gz	YMATYTYMMVYAQL-IAGOWNOFSA-N	2	2	368.481	2.881	40	30		FFEBLP
C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000329637339	512080874	/nfs/dbraw/zinc/08/08/74/512080874.db2.gz	YMATYTYMMVYAQL-SJORKVTESA-N	2	2	368.481	2.881	40	30		FFEBLP
CN(C)c1ccc(/C=[NH+]/NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000001684984	210366075	/nfs/dbraw/zinc/36/60/75/210366075.db2.gz	MBUQGKAMDXBKEA-KVVJQUGZSA-N	2	2	368.510	2.651	40	30		FFEBLP
N#Cc1ccc(OC[C@@H]2Cn3c[nH+]cc3C[N@H+](Cc3ccccc3)C2)nc1	ZINC000096209812	222079254	/nfs/dbraw/zinc/07/92/54/222079254.db2.gz	MHQHUODZLVTKJI-IBGZPJMESA-N	2	2	359.433	2.861	40	30		FFEBLP
N#Cc1ccc(OC[C@@H]2Cn3c[nH+]cc3C[N@@H+](Cc3ccccc3)C2)nc1	ZINC000096209812	222079258	/nfs/dbraw/zinc/07/92/58/222079258.db2.gz	MHQHUODZLVTKJI-IBGZPJMESA-N	2	2	359.433	2.861	40	30		FFEBLP
N#Cc1ccc(OC[C@H]2Cn3c[nH+]cc3C[N@H+](Cc3ccccc3)C2)nc1	ZINC000096209811	222079766	/nfs/dbraw/zinc/07/97/66/222079766.db2.gz	MHQHUODZLVTKJI-LJQANCHMSA-N	2	2	359.433	2.861	40	30		FFEBLP
N#Cc1ccc(OC[C@H]2Cn3c[nH+]cc3C[N@@H+](Cc3ccccc3)C2)nc1	ZINC000096209811	222079768	/nfs/dbraw/zinc/07/97/68/222079768.db2.gz	MHQHUODZLVTKJI-LJQANCHMSA-N	2	2	359.433	2.861	40	30		FFEBLP