smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000021406517	524364032	/nfs/dbraw/zinc/36/40/32/524364032.db2.gz	URISNYBKTQGCOC-UHFFFAOYSA-N	1	1	449.555	1.983	50	30		IDEAMO
COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000011910548	568820864	/nfs/dbraw/zinc/82/08/64/568820864.db2.gz	KAKWOSZGVHUCIU-GOSISDBHSA-N	1	1	439.560	1.673	50	30		IDEAMO
C#CCOC[C@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	ZINC000169679043	568990205	/nfs/dbraw/zinc/99/02/05/568990205.db2.gz	DZFDVRXUYBROFD-HZPDHXFCSA-N	1	1	433.574	1.959	50	30		IDEAMO
C#CCOC[C@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	ZINC000169679043	568990208	/nfs/dbraw/zinc/99/02/08/568990208.db2.gz	DZFDVRXUYBROFD-HZPDHXFCSA-N	1	1	433.574	1.959	50	30		IDEAMO
CC[C@@H]1CN(c2nc(N3CC[N@H+](C[C@@H](C)O)[C@H](CC)C3)ccc2C#N)CCN1C[C@H](C)O	ZINC000253369463	569263971	/nfs/dbraw/zinc/26/39/71/569263971.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	1	1	444.624	1.516	50	30		IDEAMO
CC[C@@H]1CN(c2nc(N3CC[N@@H+](C[C@@H](C)O)[C@H](CC)C3)ccc2C#N)CCN1C[C@H](C)O	ZINC000253369463	569263972	/nfs/dbraw/zinc/26/39/72/569263972.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	1	1	444.624	1.516	50	30		IDEAMO
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000022809316	526677462	/nfs/dbraw/zinc/67/74/62/526677462.db2.gz	UGBUXQJCLXXYHB-FGZHOGPDSA-N	1	1	436.512	1.227	50	30		IDEAMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000022809302	526677748	/nfs/dbraw/zinc/67/77/48/526677748.db2.gz	UGBUXQJCLXXYHB-SZPZYZBQSA-N	1	1	436.512	1.227	50	30		IDEAMO
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000022809302	526677753	/nfs/dbraw/zinc/67/77/53/526677753.db2.gz	UGBUXQJCLXXYHB-SZPZYZBQSA-N	1	1	436.512	1.227	50	30		IDEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@H]2c2ccc(OC)cc2)cc1	ZINC000025179841	557528753	/nfs/dbraw/zinc/52/87/53/557528753.db2.gz	ZDIVXNHIEWKTRY-FQEVSTJZSA-N	1	1	426.469	1.864	50	30		IDEAMO
CC[NH+]1CCN(c2nc3ncn(C[C@@H](O)COc4ccc(C#N)cc4)c(=O)c3s2)CC1	ZINC000225660203	569406475	/nfs/dbraw/zinc/40/64/75/569406475.db2.gz	BETCXMWUUJCEIH-MRXNPFEDSA-N	1	1	440.529	1.306	50	30		IDEAMO
C=CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1	ZINC000009714542	569562753	/nfs/dbraw/zinc/56/27/53/569562753.db2.gz	DPLDFSMTKAJPJV-UHFFFAOYSA-N	1	1	430.512	1.933	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036150895	518300451	/nfs/dbraw/zinc/30/04/51/518300451.db2.gz	ZAJOROVCSWCLBL-FQEVSTJZSA-N	1	1	429.517	1.637	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	ZINC000036161571	518300474	/nfs/dbraw/zinc/30/04/74/518300474.db2.gz	DZFDVRXUYBROFD-HOTGVXAUSA-N	1	1	433.574	1.959	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	ZINC000036161571	518300479	/nfs/dbraw/zinc/30/04/79/518300479.db2.gz	DZFDVRXUYBROFD-HOTGVXAUSA-N	1	1	433.574	1.959	50	30		IDEAMO
C#CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C	ZINC000036207173	518312929	/nfs/dbraw/zinc/31/29/29/518312929.db2.gz	WHZIEQGLQQNLJZ-OAHLLOKOSA-N	1	1	435.546	1.938	50	30		IDEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C	ZINC000036207173	518312939	/nfs/dbraw/zinc/31/29/39/518312939.db2.gz	WHZIEQGLQQNLJZ-OAHLLOKOSA-N	1	1	435.546	1.938	50	30		IDEAMO
CCc1nc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000020591166	522385797	/nfs/dbraw/zinc/38/57/97/522385797.db2.gz	BPSRZPUFLYVFNW-UHFFFAOYSA-N	1	1	440.592	1.263	50	30		IDEAMO
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CC[NH2+]CCO)ccc1O	ZINC000015022654	556488516	/nfs/dbraw/zinc/48/85/16/556488516.db2.gz	JYXGQVNGBCCNER-IBGZPJMESA-N	1	1	430.432	1.700	50	30		IDEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000025179850	557528827	/nfs/dbraw/zinc/52/88/27/557528827.db2.gz	ZDIVXNHIEWKTRY-HXUWFJFHSA-N	1	1	426.469	1.864	50	30		IDEAMO
C=CCn1c(CN(CC[NH+](C)C)C(=O)COC)cnc1S(=O)(=O)Cc1ccccc1	ZINC000096211111	569386637	/nfs/dbraw/zinc/38/66/37/569386637.db2.gz	KIGHUOZRFSYRCY-UHFFFAOYSA-N	1	1	434.562	1.580	50	30		IDEAMO
C=C(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1	ZINC000008915083	569485474	/nfs/dbraw/zinc/48/54/74/569485474.db2.gz	BJLUOKNNCRHELW-UHFFFAOYSA-N	1	1	428.924	1.823	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	ZINC000036161566	518300658	/nfs/dbraw/zinc/30/06/58/518300658.db2.gz	DZFDVRXUYBROFD-CVEARBPZSA-N	1	1	433.574	1.959	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	ZINC000036161566	518300665	/nfs/dbraw/zinc/30/06/65/518300665.db2.gz	DZFDVRXUYBROFD-CVEARBPZSA-N	1	1	433.574	1.959	50	30		IDEAMO
N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000040131304	526630067	/nfs/dbraw/zinc/63/00/67/526630067.db2.gz	ZJOSRIUSKAXUMZ-UHFFFAOYSA-N	1	1	427.526	1.622	50	30		IDEAMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000084017201	568789993	/nfs/dbraw/zinc/78/99/93/568789993.db2.gz	OKPUFWLTNYUSKG-NRFANRHFSA-N	1	1	432.528	1.686	50	30		IDEAMO
Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000009783104	569567769	/nfs/dbraw/zinc/56/77/69/569567769.db2.gz	CKNNIVHJCDRSFK-HXUWFJFHSA-N	1	1	441.557	1.567	50	30		IDEAMO
C=CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](C)CC2)SC1=S	ZINC000012946538	518823573	/nfs/dbraw/zinc/82/35/73/518823573.db2.gz	IUXSZQFDAHPQDN-SQFISAMPSA-N	1	1	427.555	1.834	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccc(OC)c(OC)c3)NC(=O)N2)CC1	ZINC000067287762	518866471	/nfs/dbraw/zinc/86/64/71/518866471.db2.gz	MXFZREOLIBZORS-HXUWFJFHSA-N	1	1	430.505	1.288	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccc(OC)c(OC)c3)C2C(=O)OC)CC1	ZINC000067287762	518866486	/nfs/dbraw/zinc/86/64/86/518866486.db2.gz	MXFZREOLIBZORS-HXUWFJFHSA-N	1	1	430.505	1.288	50	30		IDEAMO
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC[NH2+]CCO)cc1OC	ZINC000019848368	556930122	/nfs/dbraw/zinc/93/01/22/556930122.db2.gz	TYUNIPZNFRVMCI-FQEVSTJZSA-N	1	1	426.469	1.864	50	30		IDEAMO
C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000029882866	568865701	/nfs/dbraw/zinc/86/57/01/568865701.db2.gz	YXRMMOSVGLMJIY-UHFFFAOYSA-N	1	1	427.526	1.360	50	30		IDEAMO
C#CCOC[C@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	ZINC000230089921	569434356	/nfs/dbraw/zinc/43/43/56/569434356.db2.gz	DZFDVRXUYBROFD-JKSUJKDBSA-N	1	1	433.574	1.959	50	30		IDEAMO
C#CCOC[C@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	ZINC000230089921	569434357	/nfs/dbraw/zinc/43/43/57/569434357.db2.gz	DZFDVRXUYBROFD-JKSUJKDBSA-N	1	1	433.574	1.959	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OC)[C@H](c3ccc(OC)c(OC)c3)NC(=O)N2)CC1	ZINC000067287765	518865299	/nfs/dbraw/zinc/86/52/99/518865299.db2.gz	MXFZREOLIBZORS-FQEVSTJZSA-N	1	1	430.505	1.288	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccc(OC)c(OC)c3)C2C(=O)OC)CC1	ZINC000067287765	518865311	/nfs/dbraw/zinc/86/53/11/518865311.db2.gz	MXFZREOLIBZORS-FQEVSTJZSA-N	1	1	430.505	1.288	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)c(OC)c3)NC(=O)N2)CC1	ZINC000067285915	518865528	/nfs/dbraw/zinc/86/55/28/518865528.db2.gz	SSAJRLGLCYMLNF-OAQYLSRUSA-N	1	1	444.532	1.679	50	30		IDEAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2CN=Nc2ncc(F)c(N3CCOCC3)n2)CC1	ZINC000021345418	523927364	/nfs/dbraw/zinc/92/73/64/523927364.db2.gz	WURYQMAGYSUGNE-YDZHTSKRSA-N	1	1	444.471	1.558	50	30		IDEAMO
COc1cccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1	ZINC000021579549	525913795	/nfs/dbraw/zinc/91/37/95/525913795.db2.gz	SHHDPVPJRYHRMK-UHFFFAOYSA-N	1	1	442.541	1.532	50	30		IDEAMO
COc1cccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1	ZINC000021579549	525913804	/nfs/dbraw/zinc/91/38/04/525913804.db2.gz	SHHDPVPJRYHRMK-UHFFFAOYSA-N	1	1	442.541	1.532	50	30		IDEAMO
N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000022809309	526675521	/nfs/dbraw/zinc/67/55/21/526675521.db2.gz	UGBUXQJCLXXYHB-VXKWHMMOSA-N	1	1	436.512	1.227	50	30		IDEAMO
CCCNC(=O)Cn1cnc2sc(C(=O)NCCC[NH+]3CCOCC3)c(C)c2c1=O	ZINC000015879102	563018145	/nfs/dbraw/zinc/01/81/45/563018145.db2.gz	PTONMXOBAZZOAZ-UHFFFAOYSA-N	1	1	435.550	1.585	50	30		IDEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446776	569367266	/nfs/dbraw/zinc/36/72/66/569367266.db2.gz	TVEMVMRDJCNHSN-LJQANCHMSA-N	1	1	442.564	1.097	50	30		IDEAMO
NC(=[NH2+])NN=Cc1cc(I)cc(I)c1O	ZINC000059145542	526817299	/nfs/dbraw/zinc/81/72/99/526817299.db2.gz	CJFFYQOSVYRZGO-QLKAYGNNSA-N	1	1	429.987	1.418	50	30		IDEAMO
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1	ZINC000170599042	569142398	/nfs/dbraw/zinc/14/23/98/569142398.db2.gz	TZQGHKAOZSBEHG-UHFFFAOYSA-N	1	1	430.549	1.592	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)c(OC)c3)NC(=O)N2)CC1	ZINC000067285918	518865733	/nfs/dbraw/zinc/86/57/33/518865733.db2.gz	SSAJRLGLCYMLNF-NRFANRHFSA-N	1	1	444.532	1.679	50	30		IDEAMO
CN(CC(=O)ONC(=[NH2+])c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	ZINC000006574655	556095310	/nfs/dbraw/zinc/09/53/10/556095310.db2.gz	JKKJUXUNYDYQTK-UHFFFAOYSA-N	1	1	426.292	1.933	50	30		IDEAMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000024204519	557140704	/nfs/dbraw/zinc/14/07/04/557140704.db2.gz	YEKOSEDEFGEDTK-GPMSIDNRSA-N	1	1	425.489	1.559	50	30		IDEAMO
C=CCN1C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C(=O)NC1=S	ZINC000101229035	557263750	/nfs/dbraw/zinc/26/37/50/557263750.db2.gz	OVRNIVRDIZVVTQ-KADHNRKRSA-N	1	1	444.513	1.267	50	30		IDEAMO
CC[NH+]1CCN(c2oc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C#N)CC1	ZINC000012421138	557837749	/nfs/dbraw/zinc/83/77/49/557837749.db2.gz	XZUXLUNZCFYBDM-UHFFFAOYSA-N	1	1	431.518	1.376	50	30		IDEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1	ZINC000014948300	568827862	/nfs/dbraw/zinc/82/78/62/568827862.db2.gz	QWTSCZPEMNBKSZ-DNQXCXABSA-N	1	1	434.584	1.961	50	30		IDEAMO
CC(C)(O)C#Cc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1	ZINC000014948300	568827863	/nfs/dbraw/zinc/82/78/63/568827863.db2.gz	QWTSCZPEMNBKSZ-DNQXCXABSA-N	1	1	434.584	1.961	50	30		IDEAMO
C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](C)CC2)SC1=S	ZINC000002441802	569304174	/nfs/dbraw/zinc/30/41/74/569304174.db2.gz	QNESWHQXLWIGAQ-WJDWOHSUSA-N	1	1	429.571	1.704	50	30		IDEAMO
C=CCCC(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1	ZINC000012212399	518692540	/nfs/dbraw/zinc/69/25/40/518692540.db2.gz	AZYIBHFVVHDGSJ-NRFANRHFSA-N	1	1	428.577	1.886	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc([N+](=O)[O-])cc3)NC(=O)N2)CC1	ZINC000067286420	518865930	/nfs/dbraw/zinc/86/59/30/518865930.db2.gz	QPMBQBZAFRHIBC-LJQANCHMSA-N	1	1	429.477	1.570	50	30		IDEAMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000105714924	557509883	/nfs/dbraw/zinc/50/98/83/557509883.db2.gz	YEKOSEDEFGEDTK-FCEWJHQRSA-N	1	1	425.489	1.559	50	30		IDEAMO
OCC#Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)s1	ZINC000011816757	568820784	/nfs/dbraw/zinc/82/07/84/568820784.db2.gz	WFDLIGGOADQWOH-DHIUTWEWSA-N	1	1	429.561	1.988	50	30		IDEAMO
OCC#Cc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)s1	ZINC000011816757	568820786	/nfs/dbraw/zinc/82/07/86/568820786.db2.gz	WFDLIGGOADQWOH-DHIUTWEWSA-N	1	1	429.561	1.988	50	30		IDEAMO
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@@H+]1C[C@@H](C)O	ZINC000253369461	569264000	/nfs/dbraw/zinc/26/40/00/569264000.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	1	1	444.624	1.516	50	30		IDEAMO
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@H+]1C[C@@H](C)O	ZINC000253369461	569264002	/nfs/dbraw/zinc/26/40/02/569264002.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	1	1	444.624	1.516	50	30		IDEAMO
C=CCCC(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@H]3CCC(=O)N3)c2)CC1	ZINC000012212401	518693113	/nfs/dbraw/zinc/69/31/13/518693113.db2.gz	AZYIBHFVVHDGSJ-OAQYLSRUSA-N	1	1	428.577	1.886	50	30		IDEAMO
C=CC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc([N+](=O)[O-])cc3)NC(=O)N2)CC1	ZINC000067286422	518866186	/nfs/dbraw/zinc/86/61/86/518866186.db2.gz	QPMBQBZAFRHIBC-IBGZPJMESA-N	1	1	429.477	1.570	50	30		IDEAMO
C=CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000013464928	518932298	/nfs/dbraw/zinc/93/22/98/518932298.db2.gz	QIZVPUOSJWSMSU-UHFFFAOYSA-N	1	1	436.516	1.075	50	30		IDEAMO
Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000013126678	527406493	/nfs/dbraw/zinc/40/64/93/527406493.db2.gz	CKNNIVHJCDRSFK-FQEVSTJZSA-N	1	1	441.557	1.567	50	30		IDEAMO
COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000011910547	568820838	/nfs/dbraw/zinc/82/08/38/568820838.db2.gz	KAKWOSZGVHUCIU-SFHVURJKSA-N	1	1	439.560	1.673	50	30		IDEAMO
CC[C@@H]1CN(c2nc(N3CC[N@H+](C[C@H](C)O)[C@H](CC)C3)ccc2C#N)CCN1C[C@H](C)O	ZINC000225350207	569291925	/nfs/dbraw/zinc/29/19/25/569291925.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	1	1	444.624	1.516	50	30		IDEAMO
CC[C@@H]1CN(c2nc(N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)ccc2C#N)CCN1C[C@H](C)O	ZINC000225350207	569291927	/nfs/dbraw/zinc/29/19/27/569291927.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	1	1	444.624	1.516	50	30		IDEAMO
C#CCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036150897	518307684	/nfs/dbraw/zinc/30/76/84/518307684.db2.gz	ZAJOROVCSWCLBL-HXUWFJFHSA-N	1	1	429.517	1.637	50	30		IDEAMO
C=C(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1	ZINC000008996389	518607564	/nfs/dbraw/zinc/60/75/64/518607564.db2.gz	ICKHZBQGTLFPJJ-UHFFFAOYSA-N	1	1	428.924	1.823	50	30		IDEAMO
CC[NH+]1CCN(c2nc3ncn(C[C@H](O)COc4ccc(C#N)cc4)c(=O)c3s2)CC1	ZINC000225660178	569406437	/nfs/dbraw/zinc/40/64/37/569406437.db2.gz	BETCXMWUUJCEIH-INIZCTEOSA-N	1	1	440.529	1.306	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C	ZINC000036207172	518305770	/nfs/dbraw/zinc/30/57/70/518305770.db2.gz	WHZIEQGLQQNLJZ-HNNXBMFYSA-N	1	1	435.546	1.938	50	30		IDEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C	ZINC000036207172	518305775	/nfs/dbraw/zinc/30/57/75/518305775.db2.gz	WHZIEQGLQQNLJZ-HNNXBMFYSA-N	1	1	435.546	1.938	50	30		IDEAMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000105714918	557510031	/nfs/dbraw/zinc/51/00/31/557510031.db2.gz	YEKOSEDEFGEDTK-FRQCXROJSA-N	1	1	425.489	1.559	50	30		IDEAMO
C=C(C)C[NH+]1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)CC1	ZINC000061718311	518604965	/nfs/dbraw/zinc/60/49/65/518604965.db2.gz	JLYHYMFUEMQLSC-UHFFFAOYSA-N	1	1	430.896	1.407	50	30		IDEAMO
COc1ccc(C(=[NH2+])NOC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	ZINC000006574654	556095211	/nfs/dbraw/zinc/09/52/11/556095211.db2.gz	XVLFVHDEPGBIKG-UHFFFAOYSA-N	1	1	441.893	1.841	50	30		IDEAMO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC[NH2+]CCO)cc1OC	ZINC000019848369	556930118	/nfs/dbraw/zinc/93/01/18/556930118.db2.gz	TYUNIPZNFRVMCI-HXUWFJFHSA-N	1	1	426.469	1.864	50	30		IDEAMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000024204509	557140845	/nfs/dbraw/zinc/14/08/45/557140845.db2.gz	YEKOSEDEFGEDTK-MDZRGWNJSA-N	1	1	425.489	1.559	50	30		IDEAMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000084017203	568789866	/nfs/dbraw/zinc/78/98/66/568789866.db2.gz	OKPUFWLTNYUSKG-OAQYLSRUSA-N	1	1	432.528	1.686	50	30		IDEAMO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	ZINC000027738233	569587309	/nfs/dbraw/zinc/58/73/09/569587309.db2.gz	ZNHUFUZDUQRKBB-FGZHOGPDSA-N	1	1	446.555	1.887	50	30		IDEAMO
COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](C)CC2)SC1=S	ZINC000002347215	536852989	/nfs/dbraw/zinc/85/29/89/536852989.db2.gz	DBJNDDXJXGGRMI-WJDWOHSUSA-N	1	1	447.586	1.165	50	30		IDEAMO
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CC[NH2+]CCO)ccc1O	ZINC000015022657	556488510	/nfs/dbraw/zinc/48/85/10/556488510.db2.gz	JYXGQVNGBCCNER-LJQANCHMSA-N	1	1	430.432	1.700	50	30		IDEAMO
CNC(=O)C1([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)CCCCC1	ZINC000079023290	569322596	/nfs/dbraw/zinc/32/25/96/569322596.db2.gz	YLPGPEZLTUZSBO-UHFFFAOYSA-N	1	1	435.550	1.134	50	30		IDEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446775	569367231	/nfs/dbraw/zinc/36/72/31/569367231.db2.gz	TVEMVMRDJCNHSN-IBGZPJMESA-N	1	1	442.564	1.097	50	30		IDEAMO
CSc1nc(N2CC[NH+](CCN3CCOCC3)CC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000095477410	569373231	/nfs/dbraw/zinc/37/32/31/569373231.db2.gz	HNFNGDZRVDQHFB-UHFFFAOYSA-N	1	1	431.606	1.981	50	30		IDEAMO
C=CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000009135277	569507101	/nfs/dbraw/zinc/50/71/01/569507101.db2.gz	ILBLUKDXSXKRMV-UHFFFAOYSA-N	1	1	436.516	1.075	50	30		IDEAMO
N#CCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000032903914	556545652	/nfs/dbraw/zinc/54/56/52/556545652.db2.gz	JNHAJGMLAPQJFI-UHFFFAOYSA-N	1	1	442.541	1.641	50	30		IDEAMO
COc1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1S(=O)(=O)N1CCCC1	ZINC000013730788	556720210	/nfs/dbraw/zinc/72/02/10/556720210.db2.gz	IESNLMGCZSCAFI-UHFFFAOYSA-N	1	1	431.518	1.758	50	30		IDEAMO
C=C(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1	ZINC000008739931	568816206	/nfs/dbraw/zinc/81/62/06/568816206.db2.gz	CQKSHHCVGYXHIH-UHFFFAOYSA-N	1	1	428.924	1.823	50	30		IDEAMO
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@@H+]1C[C@H](C)O	ZINC000253369462	569263957	/nfs/dbraw/zinc/26/39/57/569263957.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	1	1	444.624	1.516	50	30		IDEAMO
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@H+]1C[C@H](C)O	ZINC000253369462	569263958	/nfs/dbraw/zinc/26/39/58/569263958.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	1	1	444.624	1.516	50	30		IDEAMO