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](C[N@H+](C)C1CC[NH+](C)CC1)Oc1cc(C(C)C)nc(C)n1	ZINC000067757042	518720879	/nfs/dbraw/zinc/72/08/79/518720879.db2.gz	OZLIGKUMIMZMKC-LJQANCHMSA-N	2	1	360.546	3.648	50	30		FHEAMP
C=CCC[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)Oc1cc(C(C)C)nc(C)n1	ZINC000067757042	518720885	/nfs/dbraw/zinc/72/08/85/518720885.db2.gz	OZLIGKUMIMZMKC-LJQANCHMSA-N	2	1	360.546	3.648	50	30		FHEAMP
Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000257186287	942598982	/nfs/dbraw/zinc/59/89/82/942598982.db2.gz	KGTPAMIMEITEEG-OAQYLSRUSA-N	2	1	364.493	3.794	50	30		FHEAMP
Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000257186287	942598989	/nfs/dbraw/zinc/59/89/89/942598989.db2.gz	KGTPAMIMEITEEG-OAQYLSRUSA-N	2	1	364.493	3.794	50	30		FHEAMP
Cc1c(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C	ZINC000072479764	571319153	/nfs/dbraw/zinc/31/91/53/571319153.db2.gz	FHLBLBQSFOVSSN-QFIPXVFZSA-N	2	1	350.510	3.994	50	30		FHEAMP
Cc1[nH+]ccn1Cc1cccc(C[NH2+]Cc2c(C)c(C#N)n3ccccc23)c1	ZINC000079073539	571326856	/nfs/dbraw/zinc/32/68/56/571326856.db2.gz	YHXTYXSTYXHZIB-UHFFFAOYSA-N	2	1	369.472	3.962	50	30		FHEAMP
Cc1ccc(C[NH+]2CCN([NH+]=Cc3ccc(N(C)C)cc3)CC2)c(C)c1	ZINC000015745860	571235493	/nfs/dbraw/zinc/23/54/93/571235493.db2.gz	ZTVGLYQXLJPIDF-UHFFFAOYSA-N	2	1	350.510	3.521	50	30		FHEAMP
C=CCC[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)Oc1cc(C(C)C)nc(C)n1	ZINC000067757040	518710671	/nfs/dbraw/zinc/71/06/71/518710671.db2.gz	OZLIGKUMIMZMKC-IBGZPJMESA-N	2	1	360.546	3.648	50	30		FHEAMP
C=CCC[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)Oc1cc(C(C)C)nc(C)n1	ZINC000067757040	518710680	/nfs/dbraw/zinc/71/06/80/518710680.db2.gz	OZLIGKUMIMZMKC-IBGZPJMESA-N	2	1	360.546	3.648	50	30		FHEAMP
C=CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012205954	571117686	/nfs/dbraw/zinc/11/76/86/571117686.db2.gz	GAKLPYHMFGILJV-JOCHJYFZSA-N	2	1	372.553	3.865	50	30		FHEAMP
C=CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012205954	571117687	/nfs/dbraw/zinc/11/76/87/571117687.db2.gz	GAKLPYHMFGILJV-JOCHJYFZSA-N	2	1	372.553	3.865	50	30		FHEAMP
CC12C[NH+](Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2=NO	ZINC000004154660	571356252	/nfs/dbraw/zinc/35/62/52/571356252.db2.gz	NHTUUBFWQICOBQ-UHFFFAOYSA-N	2	1	363.505	3.861	50	30		FHEAMP
CC[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000076089755	571274277	/nfs/dbraw/zinc/27/42/77/571274277.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
CC[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000076089755	571274278	/nfs/dbraw/zinc/27/42/78/571274278.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
CC[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076089755	571274279	/nfs/dbraw/zinc/27/42/79/571274279.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
C=CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012205962	210139035	/nfs/dbraw/zinc/13/90/35/210139035.db2.gz	GAKLPYHMFGILJV-QFIPXVFZSA-N	2	1	372.553	3.865	50	30		FHEAMP
C=CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012205962	210139041	/nfs/dbraw/zinc/13/90/41/210139041.db2.gz	GAKLPYHMFGILJV-QFIPXVFZSA-N	2	1	372.553	3.865	50	30		FHEAMP
C=CCn1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(C)n1	ZINC000065397660	534452965	/nfs/dbraw/zinc/45/29/65/534452965.db2.gz	VDUZTMUKNJGAKS-UHFFFAOYSA-N	2	1	361.493	3.556	50	30		FHEAMP
Cc1c(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C	ZINC000072479763	571319146	/nfs/dbraw/zinc/31/91/46/571319146.db2.gz	FHLBLBQSFOVSSN-JOCHJYFZSA-N	2	1	350.510	3.994	50	30		FHEAMP
CC[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000076089759	571274260	/nfs/dbraw/zinc/27/42/60/571274260.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
CC[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000076089759	571274261	/nfs/dbraw/zinc/27/42/61/571274261.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
CC[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076089759	571274262	/nfs/dbraw/zinc/27/42/62/571274262.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	2	1	363.505	3.781	50	30		FHEAMP
Cc1ccc(C[NH+]2CCN(/[NH+]=C/c3ccc(N(C)C)cc3)CC2)c(C)c1	ZINC000019791085	220296007	/nfs/dbraw/zinc/29/60/07/220296007.db2.gz	ZTVGLYQXLJPIDF-XQNSMLJCSA-N	2	1	350.510	3.521	50	30		FHEAMP
Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000257186285	942598343	/nfs/dbraw/zinc/59/83/43/942598343.db2.gz	KGTPAMIMEITEEG-NRFANRHFSA-N	2	1	364.493	3.794	50	30		FHEAMP
Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000257186285	942598345	/nfs/dbraw/zinc/59/83/45/942598345.db2.gz	KGTPAMIMEITEEG-NRFANRHFSA-N	2	1	364.493	3.794	50	30		FHEAMP