smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340241	518727852	/nfs/dbraw/zinc/72/78/52/518727852.db2.gz	HXDLUJIHPJYFNA-NRFANRHFSA-N	2	2	425.533	3.042	50	30		IGEALP
CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1	ZINC000032802491	556364990	/nfs/dbraw/zinc/36/49/90/556364990.db2.gz	AYAMVXRSZGLZBH-RUZDIDTESA-N	2	2	449.599	3.477	50	30		IGEALP
N#Cc1c(Cl)nc(NCCC[NH+]2CCOCC2)c2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000013739074	556723338	/nfs/dbraw/zinc/72/33/38/556723338.db2.gz	MTOUYUBGVOYABM-UHFFFAOYSA-N	2	2	425.964	3.299	50	30		IGEALP
N#Cc1c(Cl)nc(NCCC[NH+]2CCOCC2)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000013739074	556723341	/nfs/dbraw/zinc/72/33/41/556723341.db2.gz	MTOUYUBGVOYABM-UHFFFAOYSA-N	2	2	425.964	3.299	50	30		IGEALP
CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1	ZINC000032802489	556365056	/nfs/dbraw/zinc/36/50/56/556365056.db2.gz	AYAMVXRSZGLZBH-VWLOTQADSA-N	2	2	449.599	3.477	50	30		IGEALP
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2Cl)CC1	ZINC000036340218	123251237	/nfs/dbraw/zinc/25/12/37/123251237.db2.gz	QUJWPTNGTBIIOW-FQEVSTJZSA-N	2	2	430.980	3.023	50	30		IGEALP
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2Cl)CC1	ZINC000036340219	518995433	/nfs/dbraw/zinc/99/54/33/518995433.db2.gz	QUJWPTNGTBIIOW-HXUWFJFHSA-N	2	2	430.980	3.023	50	30		IGEALP
C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597297	569142052	/nfs/dbraw/zinc/14/20/52/569142052.db2.gz	MWWWFEJFGHWCNM-LJQANCHMSA-N	2	2	428.540	3.483	50	30		IGEALP
C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597297	569142053	/nfs/dbraw/zinc/14/20/53/569142053.db2.gz	MWWWFEJFGHWCNM-LJQANCHMSA-N	2	2	428.540	3.483	50	30		IGEALP
C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340240	518721654	/nfs/dbraw/zinc/72/16/54/518721654.db2.gz	HXDLUJIHPJYFNA-OAQYLSRUSA-N	2	2	425.533	3.042	50	30		IGEALP
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340751	518996352	/nfs/dbraw/zinc/99/63/52/518996352.db2.gz	ZZEWKRCHIIDNHG-OAQYLSRUSA-N	2	2	445.007	3.277	50	30		IGEALP
C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597296	569142058	/nfs/dbraw/zinc/14/20/58/569142058.db2.gz	MWWWFEJFGHWCNM-IBGZPJMESA-N	2	2	428.540	3.483	50	30		IGEALP
C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597296	569142060	/nfs/dbraw/zinc/14/20/60/569142060.db2.gz	MWWWFEJFGHWCNM-IBGZPJMESA-N	2	2	428.540	3.483	50	30		IGEALP
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340750	123251356	/nfs/dbraw/zinc/25/13/56/123251356.db2.gz	ZZEWKRCHIIDNHG-NRFANRHFSA-N	2	2	445.007	3.277	50	30		IGEALP
COc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000014066536	557293204	/nfs/dbraw/zinc/29/32/04/557293204.db2.gz	HYGLEWPAIDMXMV-VWLOTQADSA-N	2	2	447.583	3.231	50	30		IGEALP
COc1ccc([C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000014066533	557294144	/nfs/dbraw/zinc/29/41/44/557294144.db2.gz	HYGLEWPAIDMXMV-RUZDIDTESA-N	2	2	447.583	3.231	50	30		IGEALP