smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C[N@H+](CCO)C1)[C@H]2C[C@H]3O	ZINC000169312937	206250077	/nfs/dbraw/zinc/25/00/77/206250077.db2.gz	ALOGHCORLIBWQH-AEFRDVJXSA-N	1	1	359.510	2.393	1	30		FEEFMO
COCC[N@H+](CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12	ZINC000169310679	206248634	/nfs/dbraw/zinc/24/86/34/206248634.db2.gz	KPKFBZFHTVBXOB-KRWDZBQOSA-N	1	1	352.438	2.198	1	30		FEEFMO
COCC[N@@H+](CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12	ZINC000169310679	206248639	/nfs/dbraw/zinc/24/86/39/206248639.db2.gz	KPKFBZFHTVBXOB-KRWDZBQOSA-N	1	1	352.438	2.198	1	30		FEEFMO
CO[C@H](C[C@H](CC[N@H+]1CCC[C@@H](CO)C1)C(=O)NO)c1ccc(F)cc1	ZINC000064528220	205299495	/nfs/dbraw/zinc/29/94/95/205299495.db2.gz	NGWBJDOGQSUINS-UWWQBHOKSA-N	1	1	368.449	2.119	1	30		FEEFMO
Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CC[NH+]2CCOCC2)c1C	ZINC000049089031	205168785	/nfs/dbraw/zinc/16/87/85/205168785.db2.gz	HDZJMUKQTFZUGE-VOTSOKGWSA-N	1	1	370.453	2.018	1	30		FEEFMO
COc1ccc2nc(S[C@H]3Cc4ccccc4C3=NNC(N)=[NH2+])[nH]c2c1	ZINC000043010173	208298239	/nfs/dbraw/zinc/29/82/39/208298239.db2.gz	RDPXLFXEBSOZHR-IXSYQRGLSA-N	1	1	366.450	2.266	1	30		FEEFMO
C#CCCCO[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103269022	210108366	/nfs/dbraw/zinc/10/83/66/210108366.db2.gz	GTMPVPXXJONGON-UWHLTILDSA-N	1	1	353.418	2.186	1	30		FEEFMO
C=CCN1C(=O)C(=O)N(CCNc2cc[nH+]c3cc(Cl)ccc23)C1=S	ZINC000040878564	210047247	/nfs/dbraw/zinc/04/72/47/210047247.db2.gz	MWHMILGSQAUKLS-UHFFFAOYSA-N	1	1	374.853	2.442	1	30		FEEFMO
C[NH+]=C(NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000066097232	221240380	/nfs/dbraw/zinc/24/03/80/221240380.db2.gz	LZEKAQJGPXQGQO-UHFFFAOYSA-N	1	1	356.213	2.114	1	30		FEEFMO
C=C1[C@H](O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C[N@H+](CC=O)C1)[C@H]2C[C@H]3O	ZINC000014857652	291048309	/nfs/dbraw/zinc/04/83/09/291048309.db2.gz	RFWLUFWNDMEYFX-YZWRWILZSA-N	1	1	359.510	2.392	1	30	biogenic,in-vitro	FEEFMO
NC(=[NH2+])Nc1nc(-c2cccc(CNC(=O)C3CCCCC3)n2)cs1	ZINC000013600778	220078190	/nfs/dbraw/zinc/07/81/90/220078190.db2.gz	CGGSFASWEVYBHC-UHFFFAOYSA-N	1	1	358.471	2.307	1	30		FEEFMO
N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(c3cccnc3)C2=O)cc1	ZINC000013863861	581101003	/nfs/dbraw/zinc/10/10/03/581101003.db2.gz	ZRVKNPIDTYYJCE-FQEVSTJZSA-N	1	1	372.432	2.093	1	30		FEEFMO
C=C1[C@@H](O)[C@]23CC[C@H]1[C@H](O)[C@H]2[C@]12[C@@H]4C[C@H]3[C@H]1[N@@H+](CC)C[C@]4(C)CC[C@@H]2OC	ZINC000095912792	291048315	/nfs/dbraw/zinc/04/83/15/291048315.db2.gz	XXZZJNAAUWXZNM-HKJMZRRTSA-N	1	1	373.537	2.446	1	30	biogenic,in-vitro	FEEFMO
N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(c3ccccn3)C2=O)cc1	ZINC000013863860	581101087	/nfs/dbraw/zinc/10/10/87/581101087.db2.gz	SXHQWPNCWHXRFZ-IBGZPJMESA-N	1	1	372.432	2.093	1	30		FEEFMO
C=C1[C@@H](O)[C@@]23C[C@@H]1C(=O)C[C@@H]2[C@]12[C@@H]4C[C@H]3[C@H]1[N@@H+](CC)C[C@]4(C)CC[C@@H]2O	ZINC000085489111	291047817	/nfs/dbraw/zinc/04/78/17/291047817.db2.gz	CBOSLVQFGANWTL-JREIGNCFSA-N	1	1	357.494	2.000	1	30	biogenic,in-vitro	FEEFMO
N#Cc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)cc3)CC2)cc1	ZINC000064503527	136133185	/nfs/dbraw/zinc/13/31/85/136133185.db2.gz	SEMQFIQYEGHERX-UHFFFAOYSA-N	1	1	352.413	2.249	1	30		FEEFMO
COc1c(O)ccc2c1[C@]13CC[N@H+](C)[C@@]1(CC2)C(OC)=C(OC)C(=O)C3	ZINC000015267740	291050748	/nfs/dbraw/zinc/05/07/48/291050748.db2.gz	VCOZOQJXGDDART-UXHICEINSA-N	1	1	359.422	2.136	1	30	biogenic,in-vitro	FEEFMO
COc1c(O)ccc2c1[C@]13CC[N@@H+](C)[C@@]1(CC2)C(OC)=C(OC)C(=O)C3	ZINC000015267740	291050750	/nfs/dbraw/zinc/05/07/50/291050750.db2.gz	VCOZOQJXGDDART-UXHICEINSA-N	1	1	359.422	2.136	1	30	biogenic,in-vitro	FEEFMO
CCC(=NNC(N)=[NH2+])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000064548871	212039365	/nfs/dbraw/zinc/03/93/65/212039365.db2.gz	WSJGFPCJKFOPRL-LTGZKZEYSA-N	1	1	369.450	2.475	1	30		FEEFMO
CC(C)[N@H+]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO	ZINC000022918565	210158666	/nfs/dbraw/zinc/15/86/66/210158666.db2.gz	PZTYEXVXGJMSBA-INIZCTEOSA-N	1	1	350.528	2.148	3	30		FEEFMO
CCc1[nH+]c(N)nc(N)c1C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000045300197	210048413	/nfs/dbraw/zinc/04/84/13/210048413.db2.gz	HZBOJNZTLUQBRI-LLVKDONJSA-N	1	1	356.426	2.384	1	30		FEEFMO
COc1c(C)c[nH+]c(Cn2cc(C#CCO)c3c2nc(N)nc3Cl)c1C	ZINC000095562953	210087032	/nfs/dbraw/zinc/08/70/32/210087032.db2.gz	QAXQRXZBXHBFPQ-UHFFFAOYSA-N	1	1	371.828	2.079	1	30		FEEFMO
COc1cc(C(C)(C)C#Cc2c(C)[nH+]c(N)nc2N)cc(OC)c1OC	ZINC000053683841	221047610	/nfs/dbraw/zinc/04/76/10/221047610.db2.gz	FJNFXXGWYVMQNA-UHFFFAOYSA-N	1	1	356.426	2.305	1	30	in-vivo	FEEFMO
CC(=NNC(N)=[NH2+])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000014975948	220138454	/nfs/dbraw/zinc/13/84/54/220138454.db2.gz	NRMWTKWISGLWOP-UDWIEESQSA-N	1	1	355.423	2.085	1	30		FEEFMO
COc1c2c(cc3c1[C@]14C=C(OC)C(=O)C[C@@]1(CC3)[N@H+](C)CC4)OCO2	ZINC000033830595	291050731	/nfs/dbraw/zinc/05/07/31/291050731.db2.gz	ABMKGESNDNGXSF-VQTJNVASSA-N	1	1	357.406	2.185	1	30	biogenic,in-vitro	FEEFMO