smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[N@@H+]1CCC(=O)N([C@H](CO)Cc2ccccc2)CC1	ZINC000038143059	202398353	/nfs/dbraw/zinc/39/83/53/202398353.db2.gz	RMYZFVAOIVUOKB-FQEVSTJZSA-N	1	1	346.515	3.095	3	30		EGEFMO
C=C1C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)C[N@H+](CCO)[C@@H]5[C@H]2C[C@H]1C[C@H]36	ZINC000095918715	560054468	/nfs/dbraw/zinc/05/44/68/560054468.db2.gz	CFWUHNAFHGLBHO-PVOZCVFRSA-N	1	1	341.495	3.031	1	30	biogenic,in-vitro	EGEFMO
COC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1	ZINC000004238101	210149057	/nfs/dbraw/zinc/14/90/57/210149057.db2.gz	IPXQTEFFIMKQGH-UHFFFAOYSA-N	1	1	327.428	3.003	1	30		EGEFMO
O=C(/C=C/c1ccc2c(c1)C[N@H+](CCc1c[nH]c3ccccc13)C2)NO	ZINC000072176976	216066299	/nfs/dbraw/zinc/06/62/99/216066299.db2.gz	PHMSOOBTXSCMBO-SOFGYWHQSA-N	1	1	347.418	3.245	1	30		EGEFMO
CC[N@H+]1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21	ZINC000101979223	219177357	/nfs/dbraw/zinc/17/73/57/219177357.db2.gz	RQWFHOCWLIUNTF-CJNGLKHVSA-N	1	1	341.407	3.225	1	30		EGEFMO
COc1cc2c(cc1OC)[C@H]1C/C(=N/O)[C@H]3CCCC[C@@H]3[N@H+]1CC2	ZINC000038811251	213226791	/nfs/dbraw/zinc/22/67/91/213226791.db2.gz	CADPBCPVJBOUEG-OBBSDVSLSA-N	1	1	330.428	3.396	1	30	in-man	EGEFMO
CCc1[nH+]c(C)cn1C[C@@H]1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C/CC[C@@H]12	ZINC000169308965	529730496	/nfs/dbraw/zinc/73/04/96/529730496.db2.gz	IZORMBINDZROFQ-CXUVVLIPSA-N	1	1	344.455	3.199	1	30		EGEFMO
C[N@H+]1[C@@H]2C[C@@H](OC(=O)[C@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228796	219272163	/nfs/dbraw/zinc/27/21/63/219272163.db2.gz	NWXGNSBDKXVRMY-FFDFYAMSSA-N	1	1	341.451	3.116	1	30		EGEFMO
C[N@@H+]1[C@@H]2C[C@@H](OC(=O)[C@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228796	219272164	/nfs/dbraw/zinc/27/21/64/219272164.db2.gz	NWXGNSBDKXVRMY-FFDFYAMSSA-N	1	1	341.451	3.116	1	30		EGEFMO
CC[N@H+]1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21	ZINC000101979220	219177261	/nfs/dbraw/zinc/17/72/61/219177261.db2.gz	RQWFHOCWLIUNTF-BBRMVZONSA-N	1	1	341.407	3.225	1	30		EGEFMO
Cc1ccc(-c2nc3ccc(N4CC[NH+](C)CC4)cc3[nH]2)cc1C#N	ZINC000587188995	1298053265	/nfs/dbraw/zinc/05/32/65/1298053265.db2.gz	WGLDGPSAJHHXQB-UHFFFAOYSA-N	1	1	331.423	3.162	1	30		EGEFMO
C=CCNC(=S)NCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000040877656	213396304	/nfs/dbraw/zinc/39/63/04/213396304.db2.gz	GISDGBZKEDNZAU-UHFFFAOYSA-N	1	1	334.876	3.340	1	30		EGEFMO
NC(=[NH2+])Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc21	ZINC000026980576	581097286	/nfs/dbraw/zinc/09/72/86/581097286.db2.gz	OHZKUBPASKSZOQ-UHFFFAOYSA-N	1	1	340.770	3.189	1	30		EGEFMO
CC(C)C[C@@H](CC#N)N1CC[N@@H+](CCc2ccccc2)CCC1=O	ZINC000012474745	211392290	/nfs/dbraw/zinc/39/22/90/211392290.db2.gz	VWPRTGACFYIKHQ-LJQANCHMSA-N	1	1	327.472	3.092	3	30		EGEFMO
CC(C)(C)c1ccc(/C=[NH+]/Cc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000045261745	581091718	/nfs/dbraw/zinc/09/17/18/581091718.db2.gz	ZCIZNPGXSRSRAR-UDWIEESQSA-N	1	1	330.453	3.251	1	30		EGEFMO
C[N@H+]1[C@@H]2C[C@@H](OC(=O)[C@@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228793	219272919	/nfs/dbraw/zinc/27/29/19/219272919.db2.gz	NWXGNSBDKXVRMY-CFSBILQPSA-N	1	1	341.451	3.116	1	30		EGEFMO
C[N@@H+]1[C@@H]2C[C@@H](OC(=O)[C@@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228793	219272922	/nfs/dbraw/zinc/27/29/22/219272922.db2.gz	NWXGNSBDKXVRMY-CFSBILQPSA-N	1	1	341.451	3.116	1	30		EGEFMO
CCc1[nH+]c(N)nc(N)c1C#C[C@H](C)c1ccc(-c2ccccc2)nc1	ZINC000169308651	529742131	/nfs/dbraw/zinc/74/21/31/529742131.db2.gz	JKSKINFMKRSXHC-AWEZNQCLSA-N	1	1	343.434	3.421	1	30		EGEFMO
C[N@H+]1CCC[C@@H]1CCNC(=S)Nc1ccc(Br)cn1	ZINC000027092618	202151897	/nfs/dbraw/zinc/15/18/97/202151897.db2.gz	AOJDCVGKKKIUDF-LLVKDONJSA-N	1	1	343.294	3.026	1	30		EGEFMO
C#Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1	ZINC000012439475	211382052	/nfs/dbraw/zinc/38/20/52/211382052.db2.gz	XRIDVVKSEDGVRJ-OAQYLSRUSA-N	1	1	344.458	3.030	3	30		EGEFMO
C[N@H+]1CCC[C@H]1CCNC(=S)Nc1ccc(Br)cn1	ZINC000027092625	202151601	/nfs/dbraw/zinc/15/16/01/202151601.db2.gz	AOJDCVGKKKIUDF-NSHDSACASA-N	1	1	343.294	3.026	1	30		EGEFMO
O/N=C(\CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1	ZINC000034577910	132388135	/nfs/dbraw/zinc/38/81/35/132388135.db2.gz	RNLQMKBRFVLIFI-HEHNFIMWSA-N	1	1	344.846	3.126	1	30		EGEFMO
C(#Cc1ccc(C[NH+]2CCCCC2)cc1)CCN1CCSCC1	ZINC000038476915	213208608	/nfs/dbraw/zinc/20/86/08/213208608.db2.gz	GDYHPPIZJGVVQO-UHFFFAOYSA-N	1	1	328.525	3.463	1	30		EGEFMO
CCCCCCC[N@@H+]1CCC(=O)N([C@H](CO)c2ccccc2)CC1	ZINC000038146632	213204263	/nfs/dbraw/zinc/20/42/63/213204263.db2.gz	CKKLZEFQXNNZED-LJQANCHMSA-N	1	1	332.488	3.225	3	30		EGEFMO
CCCCCCCCc1ccc(-c2c[nH]c(C([NH3+])(CO)CO)n2)cc1	ZINC000038149362	213203671	/nfs/dbraw/zinc/20/36/71/213203671.db2.gz	AFOKUYNUCQYJRC-UHFFFAOYSA-N	1	1	345.487	3.118	1	30		EGEFMO
CC1=[N+](C)N(c2ccccc2)C(=O)C1N=Cc1ccccc1Cl	ZINC000101637869	219148992	/nfs/dbraw/zinc/14/89/92/219148992.db2.gz	DEWPWDDDYVSIMY-RONKMWSCSA-N	1	1	326.807	3.193	3	30		EGEFMO
CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1N=Cc1ccccc1Cl	ZINC000101637869	219148995	/nfs/dbraw/zinc/14/89/95/219148995.db2.gz	DEWPWDDDYVSIMY-RONKMWSCSA-N	1	1	326.807	3.193	3	30		EGEFMO
CC[N@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	ZINC000084596886	217617956	/nfs/dbraw/zinc/61/79/56/217617956.db2.gz	BYJHHFXRFDLYSZ-UHFFFAOYSA-N	1	1	349.434	3.187	1	30		EGEFMO
C=CC[N@@H+]1CC[C@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13	ZINC000040802686	213388603	/nfs/dbraw/zinc/38/86/03/213388603.db2.gz	VFXSXBAGAAWZPC-MSPZUWAUSA-N	1	1	325.452	3.365	1	30		EGEFMO
C=CC[N@@H+]1CC[C@]23CC(=O)C[C@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13	ZINC000040802690	213387802	/nfs/dbraw/zinc/38/78/02/213387802.db2.gz	VFXSXBAGAAWZPC-MYDCNYLUSA-N	1	1	325.452	3.365	1	30		EGEFMO
C#Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1	ZINC000012439476	211382006	/nfs/dbraw/zinc/38/20/06/211382006.db2.gz	XRIDVVKSEDGVRJ-NRFANRHFSA-N	1	1	344.458	3.030	3	30		EGEFMO
C=C[C@@H](O)C[NH+]1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022452391	212298758	/nfs/dbraw/zinc/29/87/58/212298758.db2.gz	UPKIMOKDUSECKU-HXUWFJFHSA-N	1	1	348.490	3.039	1	30		EGEFMO
N#Cc1ccc(-c2ccc(OCCCN3CCC([NH3+])CC3)cc2)cc1	ZINC000013859990	211652911	/nfs/dbraw/zinc/65/29/11/211652911.db2.gz	GRJGKRWJSKONHR-UHFFFAOYSA-N	1	1	335.451	3.417	1	30		EGEFMO
COc1ccccc1C=CC=NC1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000101584395	219142036	/nfs/dbraw/zinc/14/20/36/219142036.db2.gz	HCRFYBMVNBFTDG-DEMMLCMSSA-N	1	1	348.426	3.213	3	30		EGEFMO
COc1ccccc1C=CC=N[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000101584395	219142038	/nfs/dbraw/zinc/14/20/38/219142038.db2.gz	HCRFYBMVNBFTDG-DEMMLCMSSA-N	1	1	348.426	3.213	3	30		EGEFMO
CCc1[nH+]c(N)nc(N)c1C#C[C@@H](C)c1ccc(-c2ccccc2)nc1	ZINC000169308650	529742096	/nfs/dbraw/zinc/74/20/96/529742096.db2.gz	JKSKINFMKRSXHC-CQSZACIVSA-N	1	1	343.434	3.421	1	30		EGEFMO
CCCCCCCCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000049780363	214032123	/nfs/dbraw/zinc/03/21/23/214032123.db2.gz	UHCFNPWLLXAVHE-KDURUIRLSA-N	1	1	342.483	3.464	1	30		EGEFMO
CN1CC[NH+](CCC#Cc2c3ccccc3nc3c2CCCCC3)CC1	ZINC000022930433	212335983	/nfs/dbraw/zinc/33/59/83/212335983.db2.gz	YGHOWLSUENGEBH-UHFFFAOYSA-N	1	1	347.506	3.493	1	30		EGEFMO