smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	ZINC000012489994	291193307	/nfs/dbraw/zinc/19/33/07/291193307.db2.gz	CYHDANDCUQMWGN-SSSFQFABSA-N	1	1	423.473	1.102	40	30	biogenic,in-vitro	HDEBMO
C[N@@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	ZINC000012489994	291193311	/nfs/dbraw/zinc/19/33/11/291193311.db2.gz	CYHDANDCUQMWGN-SSSFQFABSA-N	1	1	423.473	1.102	40	30	biogenic,in-vitro	HDEBMO
C=CC[NH+]1CCN([C@@H](c2nnnn2CCOC)c2ccc(OC)c(OC)c2)CC1	ZINC000035313860	518868198	/nfs/dbraw/zinc/86/81/98/518868198.db2.gz	MBGSNPOWUKYNSV-LJQANCHMSA-N	1	1	402.499	1.230	40	30		HDEBMO
N#Cc1c(NC(=O)CN2CCN(C=O)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000022469104	568768395	/nfs/dbraw/zinc/76/83/95/568768395.db2.gz	MSTUHDMUNIPZRC-UHFFFAOYSA-N	1	1	423.542	1.891	40	30		HDEBMO
N#Cc1c(NC(=O)CN2CCN(C=O)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000022469104	568768397	/nfs/dbraw/zinc/76/83/97/568768397.db2.gz	MSTUHDMUNIPZRC-UHFFFAOYSA-N	1	1	423.542	1.891	40	30		HDEBMO
CC(=NNC(=N)N)c1ccc(NC(=O)Nc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1	ZINC000017041997	558812645	/nfs/dbraw/zinc/81/26/45/558812645.db2.gz	HCAQGQIHBFVVIX-BWGHBQEHSA-N	1	1	408.470	1.745	40	30		HDEBMO
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccccc1	ZINC000036619649	526267861	/nfs/dbraw/zinc/26/78/61/526267861.db2.gz	LENHWHUZTOUBSE-SFHVURJKSA-N	1	1	411.414	1.755	40	30		HDEBMO
C#CCC[NH+]1CCN(Cc2c(C)n(CC(=O)N3CCOCC3)c3ccccc32)CC1	ZINC000019581887	569018145	/nfs/dbraw/zinc/01/81/45/569018145.db2.gz	QOHGCUBKJRNJPG-UHFFFAOYSA-N	1	1	408.546	1.949	40	30		HDEBMO
C[NH+]1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4ccc(C#N)cc4)C2)COC3)CC1	ZINC000306129645	569386123	/nfs/dbraw/zinc/38/61/23/569386123.db2.gz	IIWSLTHWBMYISE-QHCPKHFHSA-N	1	1	418.501	1.414	40	30		HDEBMO
COc1ccc(/C=N/n2cncn2)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217351095	568471772	/nfs/dbraw/zinc/47/17/72/568471772.db2.gz	FCNNSAUPYIKLLZ-IFWCCSFUSA-N	1	1	404.474	1.950	40	30		HDEBMO
NCc1nnn(Cc2ccccc2)c1N=CNc1c(C[NH3+])nnn1Cc1ccccc1	ZINC000005395581	557650710	/nfs/dbraw/zinc/65/07/10/557650710.db2.gz	JNBXHPZLCJVKET-UHFFFAOYSA-N	1	1	416.493	1.656	40	30		HDEBMO
CCCCN1c2ccccc2/C(=N/NC(=S)NCCC[NH+]2CCOCC2)C1=O	ZINC000008286902	568495782	/nfs/dbraw/zinc/49/57/82/568495782.db2.gz	XJCBWGGRZQBMOE-PYCFMQQDSA-N	1	1	403.552	1.724	40	30		HDEBMO
C=CC[NH+]1CCN([C@H](c2nnnn2CCOC)c2ccc(OC)c(OC)c2)CC1	ZINC000035313862	518866744	/nfs/dbraw/zinc/86/67/44/518866744.db2.gz	MBGSNPOWUKYNSV-IBGZPJMESA-N	1	1	402.499	1.230	40	30		HDEBMO
CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(S(=O)(=O)c1ccc(C#N)cc1)CC2	ZINC000096230278	568706656	/nfs/dbraw/zinc/70/66/56/568706656.db2.gz	UNUFMAIKDKIWSQ-UHFFFAOYSA-N	1	1	404.536	1.512	40	30		HDEBMO
CC(C)C[N@H+]1CCN(C)C(=O)C12CCN(S(=O)(=O)c1ccc(C#N)cc1)CC2	ZINC000096230278	568706657	/nfs/dbraw/zinc/70/66/57/568706657.db2.gz	UNUFMAIKDKIWSQ-UHFFFAOYSA-N	1	1	404.536	1.512	40	30		HDEBMO
CC(=NNC(=N)N)c1ccc(NC(=O)Nc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1	ZINC000008649453	557798614	/nfs/dbraw/zinc/79/86/14/557798614.db2.gz	HCAQGQIHBFVVIX-ZDZOGZAPSA-N	1	1	408.470	1.745	40	30		HDEBMO
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CC[NH2+]CCO)[C@@H]1c1ccccc1	ZINC000036619648	526268171	/nfs/dbraw/zinc/26/81/71/526268171.db2.gz	LENHWHUZTOUBSE-GOSISDBHSA-N	1	1	411.414	1.755	40	30		HDEBMO
CCCCN1c2ccccc2/C(=N\NC(=S)NCCC[NH+]2CCOCC2)C1=O	ZINC000021274161	520598781	/nfs/dbraw/zinc/59/87/81/520598781.db2.gz	XJCBWGGRZQBMOE-RELWKKBWSA-N	1	1	403.552	1.724	40	30		HDEBMO
C=CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1	ZINC000004316531	560605122	/nfs/dbraw/zinc/60/51/22/560605122.db2.gz	PZHRKPOHTHZWPT-UHFFFAOYSA-N	1	1	414.897	1.433	40	30		HDEBMO
C#CCn1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c2ccccc21	ZINC000012117791	568993593	/nfs/dbraw/zinc/99/35/93/568993593.db2.gz	HDUJMUVRHFQXRE-UHFFFAOYSA-N	1	1	403.486	1.753	40	30		HDEBMO
C#CCn1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCOCC4)nc3C2)c2ccccc21	ZINC000012117791	568993595	/nfs/dbraw/zinc/99/35/95/568993595.db2.gz	HDUJMUVRHFQXRE-UHFFFAOYSA-N	1	1	403.486	1.753	40	30		HDEBMO
C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1O	ZINC000514288742	560034156	/nfs/dbraw/zinc/03/41/56/560034156.db2.gz	BKIQHWVOHFPJNM-PCCBWWKXSA-N	1	1	415.515	1.139	40	30	biogenic,in-vitro	HDEBMO
CC[NH+](CC)CCOc1ccc(C=NNc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1	ZINC000005424089	557653067	/nfs/dbraw/zinc/65/30/67/557653067.db2.gz	OQYWEYDUXUVDNG-FYJGNVAPSA-N	1	1	413.482	1.127	40	30		HDEBMO
C=CCNC(=O)c1ccc(=O)n([C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]2c2ccccc2)c1	ZINC000257281242	569059003	/nfs/dbraw/zinc/05/90/03/569059003.db2.gz	OOHFOVDHVKYSRE-DYXWJJEUSA-N	1	1	408.502	1.839	40	30		HDEBMO
C=CCNC(=O)c1ccc(=O)n([C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](C)[C@H]2c2ccccc2)c1	ZINC000257281242	569059004	/nfs/dbraw/zinc/05/90/04/569059004.db2.gz	OOHFOVDHVKYSRE-DYXWJJEUSA-N	1	1	408.502	1.839	40	30		HDEBMO