smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1ccco1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1	ZINC000008297606	291361819	/nfs/dbraw/zinc/36/18/19/291361819.db2.gz	DSGMFMYGPAPRFK-JUXOCIIHSA-N	0	1	437.569	3.190	40	0	biogenic,in-vitro	IGABMN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022865569	519825971	/nfs/dbraw/zinc/82/59/71/519825971.db2.gz	KNUYMKCLEZNCKC-IEEQIXEPSA-N	0	1	432.605	3.371	40	0		IGABMN
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020495741	523042087	/nfs/dbraw/zinc/04/20/87/523042087.db2.gz	WCEMTPCLWKHOCL-GOSISDBHSA-N	0	1	430.461	3.213	40	0		IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843230	526196475	/nfs/dbraw/zinc/19/64/75/526196475.db2.gz	XRGXUDGPDOIAIG-FIXDAVPBSA-N	0	1	435.911	3.388	40	0		IGABMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000034860031	555924919	/nfs/dbraw/zinc/92/49/19/555924919.db2.gz	ATPCUYQGOXKMIT-YDGKCNFYSA-N	0	1	442.302	3.425	40	0		IGABMN
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1	ZINC000039759483	556441869	/nfs/dbraw/zinc/44/18/69/556441869.db2.gz	URIOTLPZIORNQK-UHFFFAOYSA-N	0	1	445.560	3.461	40	0		IGABMN
Cc1ccc(NC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)c(-c2nnc(C3CC3)[nH]2)c1	ZINC000040150971	556465570	/nfs/dbraw/zinc/46/55/70/556465570.db2.gz	IGUHXCBHWKFHMC-ZHALLVOQSA-N	0	1	440.573	3.322	40	0		IGABMN
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000030754284	556504124	/nfs/dbraw/zinc/50/41/24/556504124.db2.gz	LKGCVMRNUULXLO-MRXNPFEDSA-N	0	1	426.498	3.300	40	0		IGABMN
COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1	ZINC000019085756	556699676	/nfs/dbraw/zinc/69/96/76/556699676.db2.gz	TZEUDCAKDPQMKQ-VWLOTQADSA-N	0	1	437.584	3.486	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cc(F)ccc1F	ZINC000257324589	556704793	/nfs/dbraw/zinc/70/47/93/556704793.db2.gz	WPIXCUUPCJIYIC-SONWIMMPSA-N	0	1	444.522	3.268	40	0		IGABMN
O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019343146	556741068	/nfs/dbraw/zinc/74/10/68/556741068.db2.gz	UVTFHIRGCIQWTF-MRXNPFEDSA-N	0	1	426.586	3.081	40	0		IGABMN
O=C(C1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343613	556741354	/nfs/dbraw/zinc/74/13/54/556741354.db2.gz	PUWRFTIUZDSTDP-KRWDZBQOSA-N	0	1	426.586	3.286	40	0		IGABMN
O=C(Cc1ccccc1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3	ZINC000019370204	556747519	/nfs/dbraw/zinc/74/75/19/556747519.db2.gz	BKYIJKYGFVRANQ-QHCPKHFHSA-N	0	1	445.567	3.499	40	0		IGABMN
CCN(CC)c1ncc2c(cc(C3CCN(CC(=O)N(C)c4ccccc4)CC3)[nH]c2=O)n1	ZINC000019526547	556784976	/nfs/dbraw/zinc/78/49/76/556784976.db2.gz	AWKMVHPSBKSTTA-UHFFFAOYSA-N	0	1	448.571	3.419	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555552	556798712	/nfs/dbraw/zinc/79/87/12/556798712.db2.gz	WUTHUAUABDRREL-PMACEKPBSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1	ZINC000019570584	556810582	/nfs/dbraw/zinc/81/05/82/556810582.db2.gz	JXOSRRATCXOWGX-LJQANCHMSA-N	0	1	436.556	3.255	40	0		IGABMN
CN(C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1	ZINC000019586766	556823133	/nfs/dbraw/zinc/82/31/33/556823133.db2.gz	GIGLIGGIYGPWBQ-UHFFFAOYSA-N	0	1	442.516	3.394	40	0		IGABMN
CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2	ZINC000019708499	556869297	/nfs/dbraw/zinc/86/92/97/556869297.db2.gz	UHDCOBZUDXEWBS-QGZVFWFLSA-N	0	1	437.588	3.199	40	0		IGABMN
O=C(CC[C@@H]1CCC(=O)N1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1	ZINC000019745057	556891681	/nfs/dbraw/zinc/89/16/81/556891681.db2.gz	BVYBCDKRRISVAW-IBGZPJMESA-N	0	1	446.555	3.335	40	0		IGABMN
COc1ccc(-c2cc(C(=O)N3C[C@H]4[C@H](CC[C@@]45Nc4ccccc4C(=O)N5)C3)n[nH]2)cc1	ZINC000072326888	556903365	/nfs/dbraw/zinc/90/33/65/556903365.db2.gz	QTPIQIBEAQUEQE-GSQWSPMESA-N	0	1	443.507	3.119	40	0		IGABMN
CC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc21	ZINC000019761380	556904864	/nfs/dbraw/zinc/90/48/64/556904864.db2.gz	KMYAXFDTRIEENV-LJQANCHMSA-N	0	1	432.572	3.466	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(Cc4ccccn4)C3)nc2C)c1	ZINC000019763422	556908238	/nfs/dbraw/zinc/90/82/38/556908238.db2.gz	RJEHJEBZAUCDKG-HXUWFJFHSA-N	0	1	431.540	3.498	40	0		IGABMN
CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCc2ccncc2)C1	ZINC000072344826	556915647	/nfs/dbraw/zinc/91/56/47/556915647.db2.gz	OVGCQPALDGGFAH-NRFANRHFSA-N	0	1	431.540	3.416	40	0		IGABMN
Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1	ZINC000072353927	556928645	/nfs/dbraw/zinc/92/86/45/556928645.db2.gz	WCOOAUVHVJNTMG-DEOSSOPVSA-N	0	1	448.611	3.193	40	0		IGABMN
Cc1nonc1CC(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000072371514	556939436	/nfs/dbraw/zinc/93/94/36/556939436.db2.gz	WBFVPHGKFRRJSZ-CQSZACIVSA-N	0	1	449.433	3.300	40	0		IGABMN
CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020107644	556983740	/nfs/dbraw/zinc/98/37/40/556983740.db2.gz	JAEIYHAKNAJTEY-IBGZPJMESA-N	0	1	442.497	3.082	40	0		IGABMN
CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1	ZINC000257295009	556999951	/nfs/dbraw/zinc/99/99/51/556999951.db2.gz	QWPHMSAXUAZNNC-XLIONFOSSA-N	0	1	436.560	3.090	40	0		IGABMN
CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1	ZINC000257295009	556999953	/nfs/dbraw/zinc/99/99/53/556999953.db2.gz	QWPHMSAXUAZNNC-XLIONFOSSA-N	0	1	436.560	3.090	40	0		IGABMN
CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cc3n[nH]c(C(C)C)n3)CC2)nc2ccccc21	ZINC000257341816	557008272	/nfs/dbraw/zinc/00/82/72/557008272.db2.gz	ZMBXVWKRABMECX-QAQDUYKDSA-N	0	1	448.571	3.469	40	0		IGABMN
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O	ZINC000409232265	557024096	/nfs/dbraw/zinc/02/40/96/557024096.db2.gz	PRAZGGFREOFLKQ-VGOFMYFVSA-N	0	1	436.251	3.239	40	0		IGABMN
O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110072	557042529	/nfs/dbraw/zinc/04/25/29/557042529.db2.gz	DYUWSEUNCOJLGU-RPWUZVMVSA-N	0	1	440.547	3.434	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)cc1	ZINC000096215663	557183666	/nfs/dbraw/zinc/18/36/66/557183666.db2.gz	XTQPFXHNKOHFMU-QHCPKHFHSA-N	0	1	430.570	3.381	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000100233709	557250889	/nfs/dbraw/zinc/25/08/89/557250889.db2.gz	QBISCNHHXUZRNQ-KRWDZBQOSA-N	0	1	437.519	3.248	40	0		IGABMN
O=C(C1CCC1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233790	557251112	/nfs/dbraw/zinc/25/11/12/557251112.db2.gz	GUBOVYAFAHRIHK-QFIPXVFZSA-N	0	1	446.555	3.242	40	0		IGABMN
O=C(C1CCC1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233790	557251115	/nfs/dbraw/zinc/25/11/15/557251115.db2.gz	GUBOVYAFAHRIHK-QFIPXVFZSA-N	0	1	446.555	3.242	40	0		IGABMN
CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)no1	ZINC000100234305	557252364	/nfs/dbraw/zinc/25/23/64/557252364.db2.gz	BIRAAYNTCJPXSK-IBGZPJMESA-N	0	1	438.532	3.290	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)Cc3ccccc3)s2)c1	ZINC000222764029	557384076	/nfs/dbraw/zinc/38/40/76/557384076.db2.gz	SAZFUJSNIBYBEV-UHFFFAOYSA-N	0	1	430.555	3.398	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1	ZINC000040373264	557414805	/nfs/dbraw/zinc/41/48/05/557414805.db2.gz	OQNBLLXGZQFVHK-QFIPXVFZSA-N	0	1	428.573	3.397	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1	ZINC000019499548	557499748	/nfs/dbraw/zinc/49/97/48/557499748.db2.gz	ABSDPVZYHKBBBP-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1	ZINC000019527976	557501765	/nfs/dbraw/zinc/50/17/65/557501765.db2.gz	DJLNQQWRPAYSMC-QFIPXVFZSA-N	0	1	435.576	3.055	40	0		IGABMN
Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1C	ZINC000225180467	557696906	/nfs/dbraw/zinc/69/69/06/557696906.db2.gz	KBOSVIOJOCODHX-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
Cc1ccc(N2C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)cc1C	ZINC000033752493	557810707	/nfs/dbraw/zinc/81/07/07/557810707.db2.gz	UEIMISGSJPKHIR-VCHYOVAHSA-N	0	1	432.505	3.415	40	0		IGABMN
COc1ccc(OC)c(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1	ZINC000257218757	568673704	/nfs/dbraw/zinc/67/37/04/568673704.db2.gz	DEICLGXFSSRBJN-SFHVURJKSA-N	0	1	426.561	3.167	40	0		IGABMN
CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)CN2CCC(C(N)=O)CC2)CO[C@H]1c1cccc(F)c1	ZINC000257311547	568716058	/nfs/dbraw/zinc/71/60/58/568716058.db2.gz	UJZOQVDKMQKFRD-RSEQLOHWSA-N	0	1	445.579	3.118	40	0		IGABMN
CC(C)c1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)n[nH]1	ZINC000257331516	568725228	/nfs/dbraw/zinc/72/52/28/568725228.db2.gz	XTEZELZLJKZETL-JOCHJYFZSA-N	0	1	441.507	3.241	40	0		IGABMN
CCCn1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C3CCCCC3)CC2)cn1	ZINC000257344263	568730256	/nfs/dbraw/zinc/73/02/56/568730256.db2.gz	ZWIZTAUJUDLMHR-UHFFFAOYSA-N	0	1	426.565	3.441	40	0		IGABMN
CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)CC1	ZINC000057477160	568786940	/nfs/dbraw/zinc/78/69/40/568786940.db2.gz	CARCUQQVGQADDV-UHFFFAOYSA-N	0	1	436.512	3.455	40	0		IGABMN
Cc1nc(-c2ccco2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1	ZINC000015672566	568803143	/nfs/dbraw/zinc/80/31/43/568803143.db2.gz	IIDAKOFKKSXZMF-ZVDOUQERSA-N	0	1	432.524	3.418	40	0	biogenic,in-vitro	IGABMN
Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1	ZINC000015672566	568803146	/nfs/dbraw/zinc/80/31/46/568803146.db2.gz	IIDAKOFKKSXZMF-ZVDOUQERSA-N	0	1	432.524	3.418	40	0	biogenic,in-vitro	IGABMN
CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1	ZINC000019499533	568875944	/nfs/dbraw/zinc/87/59/44/568875944.db2.gz	BVWDUWPHHXZSOI-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103527602	568897187	/nfs/dbraw/zinc/89/71/87/568897187.db2.gz	KAGCDJKHLXHNNM-JSAFQYNZSA-N	0	1	435.911	3.388	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1	ZINC000248126815	569207194	/nfs/dbraw/zinc/20/71/94/569207194.db2.gz	HUGXMROWVOQRKB-QUCCMNQESA-N	0	1	448.567	3.421	40	0		IGABMN
Cc1cc(C)cc(N2C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)c1	ZINC000033607697	569244839	/nfs/dbraw/zinc/24/48/39/569244839.db2.gz	ZHCHXICZTUSWSS-VCHYOVAHSA-N	0	1	432.505	3.415	40	0		IGABMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1O	ZINC000033770743	569246714	/nfs/dbraw/zinc/24/67/14/569246714.db2.gz	SIUCKIFPICENDC-VIZOYTHASA-N	0	1	448.409	3.315	40	0		IGABMN
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O)N1CCCC1	ZINC000205856186	569255720	/nfs/dbraw/zinc/25/57/20/569255720.db2.gz	LICVKSMSZVWUNC-WUXMJOGZSA-N	0	1	445.722	3.467	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009320214	569295402	/nfs/dbraw/zinc/29/54/02/569295402.db2.gz	CAJNLWNSIOWMER-GUQHISFFSA-N	0	1	449.938	3.494	40	0		IGABMN
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC	ZINC000020493976	523910546	/nfs/dbraw/zinc/91/05/46/523910546.db2.gz	NDLIKHJUTFTFPU-UHFFFAOYSA-N	0	1	427.482	3.081	40	0		IGABMN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843333	524952604	/nfs/dbraw/zinc/95/26/04/524952604.db2.gz	INMYNIWXRXBYHO-ZVVFGRKBSA-N	0	1	435.911	3.388	40	0		IGABMN
O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020460392	527024674	/nfs/dbraw/zinc/02/46/74/527024674.db2.gz	VMBLYGHIIPHUCS-UHFFFAOYSA-N	0	1	432.502	3.288	40	0		IGABMN
COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C	ZINC000408587320	555937545	/nfs/dbraw/zinc/93/75/45/555937545.db2.gz	BLIZNNFTFRIXER-UHFFFAOYSA-N	0	1	429.878	3.018	40	0		IGABMN
COc1ccccc1-c1n[nH]c(SCC(=O)Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)n1	ZINC000013636261	556541244	/nfs/dbraw/zinc/54/12/44/556541244.db2.gz	OHTBQLGNIJOHTO-NSHDSACASA-N	0	1	438.513	3.075	40	0		IGABMN
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000037530278	556604619	/nfs/dbraw/zinc/60/46/19/556604619.db2.gz	OQBXJQCEXOYVTF-IWVMGURDSA-N	0	1	430.589	3.125	40	0		IGABMN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)CN(C)Cc2cc(C)ccc2O3)cc1	ZINC000019219495	556714132	/nfs/dbraw/zinc/71/41/32/556714132.db2.gz	BSZZJIIIUQHRHU-QHCPKHFHSA-N	0	1	443.569	3.001	40	0		IGABMN
CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)Cc3ccccc3OCC(C)C)cc2)C1	ZINC000019698770	556857795	/nfs/dbraw/zinc/85/77/95/556857795.db2.gz	NNKLEWXQEZVXCN-RPWUZVMVSA-N	0	1	437.584	3.401	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)nc2c1CCCN2Cc1cccc(F)c1	ZINC000019706851	556865505	/nfs/dbraw/zinc/86/55/05/556865505.db2.gz	ASMQEPJCASQMEB-NRFANRHFSA-N	0	1	425.552	3.492	40	0		IGABMN
CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2	ZINC000019710309	556872464	/nfs/dbraw/zinc/87/24/64/556872464.db2.gz	FOYKCWVZBQBYAT-MRXNPFEDSA-N	0	1	425.552	3.329	40	0		IGABMN
Nc1[nH]nc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)cc(C(F)(F)F)c12	ZINC000019743414	556887992	/nfs/dbraw/zinc/88/79/92/556887992.db2.gz	OGOPVOAIDVBALQ-CQSZACIVSA-N	0	1	425.436	3.475	40	0		IGABMN
COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000019743674	556888536	/nfs/dbraw/zinc/88/85/36/556888536.db2.gz	XSFNCRSPERPSOZ-UHFFFAOYSA-N	0	1	441.963	3.333	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(Cc4ccncc4)C3)nc2C)c1	ZINC000019753307	556897207	/nfs/dbraw/zinc/89/72/07/556897207.db2.gz	JYQKCXIRCRZWAZ-NRFANRHFSA-N	0	1	431.540	3.498	40	0		IGABMN
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)C3CN(Cc4ccccc4)C3)C2)nc2ccccc21	ZINC000019756984	556901183	/nfs/dbraw/zinc/90/11/83/556901183.db2.gz	ATOMZHDXONRVQF-HXUWFJFHSA-N	0	1	442.563	3.385	40	0		IGABMN
CNc1ncccc1CN1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1	ZINC000019757928	556901866	/nfs/dbraw/zinc/90/18/66/556901866.db2.gz	DUXBNXCKPKUNKA-FQEVSTJZSA-N	0	1	446.555	3.150	40	0		IGABMN
CNc1ncccc1CN1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1	ZINC000019757926	556901915	/nfs/dbraw/zinc/90/19/15/556901915.db2.gz	DUXBNXCKPKUNKA-HXUWFJFHSA-N	0	1	446.555	3.150	40	0		IGABMN
CC(=O)N1CCC(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)CC1	ZINC000072371572	556939453	/nfs/dbraw/zinc/93/94/53/556939453.db2.gz	XUVFRPRQOXMUGG-GOSISDBHSA-N	0	1	444.963	3.259	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O	ZINC000072371650	556939917	/nfs/dbraw/zinc/93/99/17/556939917.db2.gz	WGFRCBYIHCZMJV-OAHLLOKOSA-N	0	1	426.904	3.013	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cn1	ZINC000072371639	556939925	/nfs/dbraw/zinc/93/99/25/556939925.db2.gz	JANPPOGNFXWFCB-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
O=C(Cn1cccn1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072371691	556940156	/nfs/dbraw/zinc/94/01/56/556940156.db2.gz	AUFDBJWDTZIEKZ-OAHLLOKOSA-N	0	1	433.434	3.263	40	0		IGABMN
Cc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(N2CCN(Cc3ccccc3)CC2)n1	ZINC000072373273	556946096	/nfs/dbraw/zinc/94/60/96/556946096.db2.gz	JWKNGQLJHJZKCE-LJQANCHMSA-N	0	1	440.551	3.426	40	0		IGABMN
COc1ccccc1[C@@H](CNc1cc(Cn2ncc3ccccc3c2=O)nc(C)n1)N(C)C	ZINC000072373359	556946616	/nfs/dbraw/zinc/94/66/16/556946616.db2.gz	FYVMXCXEXSSLDO-JOCHJYFZSA-N	0	1	444.539	3.267	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)n1	ZINC000019933494	556949899	/nfs/dbraw/zinc/94/98/99/556949899.db2.gz	AYMPMJMKTULTDE-AWEZNQCLSA-N	0	1	430.461	3.131	40	0		IGABMN
O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1OC(F)F	ZINC000072394965	556966427	/nfs/dbraw/zinc/96/64/27/556966427.db2.gz	XSXAQCUYHSKVQD-NHJWOMDBSA-N	0	1	431.483	3.280	40	0		IGABMN
COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CN(C)C)CC1	ZINC000257309074	557001850	/nfs/dbraw/zinc/00/18/50/557001850.db2.gz	TZKUPNYVAODLRY-QAQDUYKDSA-N	0	1	431.602	3.229	40	0		IGABMN
COc1cccc(N2C(=O)C(OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409293126	557050417	/nfs/dbraw/zinc/05/04/17/557050417.db2.gz	JBSJJEZLBLDKPD-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1cccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409293126	557050420	/nfs/dbraw/zinc/05/04/20/557050420.db2.gz	JBSJJEZLBLDKPD-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037147	557164215	/nfs/dbraw/zinc/16/42/15/557164215.db2.gz	YHNFQXUADOOOQE-UHFFFAOYSA-N	0	1	430.570	3.381	40	0		IGABMN
COCCN1CC2(CCN(Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O	ZINC000096263522	557191340	/nfs/dbraw/zinc/19/13/40/557191340.db2.gz	ZOIXRSDOHSZHHN-UHFFFAOYSA-N	0	1	448.560	3.138	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4sccc4C)[n-]n3c(=O)c2C1	ZINC000100243125	557255447	/nfs/dbraw/zinc/25/54/47/557255447.db2.gz	FITUTPUIXIYXAD-LJQANCHMSA-N	0	1	425.558	3.437	40	0		IGABMN
Cc1cccc(CSCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1	ZINC000222560742	557351967	/nfs/dbraw/zinc/35/19/67/557351967.db2.gz	FVODWFCIGCTTKX-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)cc1OC	ZINC000013994254	557401036	/nfs/dbraw/zinc/40/10/36/557401036.db2.gz	ABFDCBGVRKDYKQ-IBGZPJMESA-N	0	1	425.529	3.075	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(F)cc2)s1	ZINC000223847094	557519975	/nfs/dbraw/zinc/51/99/75/557519975.db2.gz	MOBBZMJKDRYTJI-UHFFFAOYSA-N	0	1	434.518	3.149	40	0		IGABMN
COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	ZINC000224362735	557597990	/nfs/dbraw/zinc/59/79/90/557597990.db2.gz	USSZQCMQTOXMRE-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
CC(C)(C)SCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000224606607	557630271	/nfs/dbraw/zinc/63/02/71/557630271.db2.gz	LHKLOWKDAVWCCL-UHFFFAOYSA-N	0	1	434.996	3.254	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1	ZINC000061997560	557829939	/nfs/dbraw/zinc/82/99/39/557829939.db2.gz	ZXBPYNJHTIRHRM-NCBKUDCXSA-N	0	1	440.584	3.102	40	0		IGABMN
COC1(COc2cccc(Cl)c2)CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000585271623	568617854	/nfs/dbraw/zinc/61/78/54/568617854.db2.gz	BCXPUEHFWTZYHE-UHFFFAOYSA-N	0	1	446.931	3.245	40	0		IGABMN
O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1	ZINC000257206278	568667869	/nfs/dbraw/zinc/66/78/69/568667869.db2.gz	BCRMURIHIYWTCR-ZDUSSCGKSA-N	0	1	438.454	3.188	40	0		IGABMN
Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCCCC3)C2)s1	ZINC000257225140	568676687	/nfs/dbraw/zinc/67/66/87/568676687.db2.gz	FFAIKAHJNQLJOU-QGZVFWFLSA-N	0	1	429.590	3.448	40	0		IGABMN
CN(Cc1ccccc1)C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2ccncc2)CC1	ZINC000257262742	568694439	/nfs/dbraw/zinc/69/44/39/568694439.db2.gz	LMQWJMABIQTHNC-UHFFFAOYSA-N	0	1	431.540	3.416	40	0		IGABMN
O=C(Cc1ccc(F)cc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1	ZINC000257292309	568707819	/nfs/dbraw/zinc/70/78/19/568707819.db2.gz	QKXHOMVIKZVRKV-DGWZTRNLSA-N	0	1	440.559	3.058	40	0		IGABMN
CC1CCN(c2ncc(CN3CC[C@H](c4c5cccnc5sc4C(N)=O)C3)cn2)CC1	ZINC000257308399	568714933	/nfs/dbraw/zinc/71/49/33/568714933.db2.gz	TWPLRSIEVYRWAJ-KRWDZBQOSA-N	0	1	436.585	3.411	40	0		IGABMN
O=C(CC1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257310906	568715663	/nfs/dbraw/zinc/71/56/63/568715663.db2.gz	UHCYIYDEGCFTGT-HXUWFJFHSA-N	0	1	449.534	3.295	40	0		IGABMN
O=C(CC1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257310906	568715664	/nfs/dbraw/zinc/71/56/64/568715664.db2.gz	UHCYIYDEGCFTGT-HXUWFJFHSA-N	0	1	449.534	3.295	40	0		IGABMN
CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2ccccn2)c1	ZINC000257331586	568725214	/nfs/dbraw/zinc/72/52/14/568725214.db2.gz	XTMZGIKUDCDIFC-RUZDIDTESA-N	0	1	430.552	3.093	40	0		IGABMN
CCc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)on1	ZINC000257341313	568729197	/nfs/dbraw/zinc/72/91/97/568729197.db2.gz	ZJUUNWZWFDVVCR-FQEVSTJZSA-N	0	1	430.892	3.449	40	0		IGABMN
Cc1nc([C@H]2CCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257345053	568730767	/nfs/dbraw/zinc/73/07/67/568730767.db2.gz	ZZTLQSYTOVNVIN-IBGZPJMESA-N	0	1	428.964	3.138	40	0		IGABMN
Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)s1	ZINC000306139009	568771043	/nfs/dbraw/zinc/77/10/43/568771043.db2.gz	SNDCLJKBBGUGHF-HXUWFJFHSA-N	0	1	441.597	3.021	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1	ZINC000248154913	569207329	/nfs/dbraw/zinc/20/73/29/569207329.db2.gz	YOPAFSIOMFULCR-UYAOXDASSA-N	0	1	448.567	3.421	40	0		IGABMN
Cc1cccc(N2C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)c1C	ZINC000033397268	569243917	/nfs/dbraw/zinc/24/39/17/569243917.db2.gz	XEZKBAVJNKRZMM-LICLKQGHSA-N	0	1	432.505	3.415	40	0		IGABMN
CC(C)CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC2CC2)C(=O)C1	ZINC000253408201	569265572	/nfs/dbraw/zinc/26/55/72/569265572.db2.gz	XEPRZDXBZIGWFY-HJIDZEHQSA-N	0	1	439.600	3.227	40	0		IGABMN
CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1CC(=O)[O-]	ZINC000020462955	524061366	/nfs/dbraw/zinc/06/13/66/524061366.db2.gz	LSMNMJIZHUQUCE-ROUUACIJSA-N	0	1	443.510	3.142	40	0	biogenic,in-vitro	IGABMN
CN(CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1CC(=O)[O-])CC[NH+](C)C	ZINC000020462955	524061369	/nfs/dbraw/zinc/06/13/69/524061369.db2.gz	LSMNMJIZHUQUCE-ROUUACIJSA-N	0	1	443.510	3.142	40	0	biogenic,in-vitro	IGABMN
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000022525094	524781436	/nfs/dbraw/zinc/78/14/36/524781436.db2.gz	SGXLPXVVGOZARC-MRXNPFEDSA-N	0	1	426.498	3.300	40	0		IGABMN
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1	ZINC000020460903	524980680	/nfs/dbraw/zinc/98/06/80/524980680.db2.gz	PCPREPDFZKXKBO-HNNXBMFYSA-N	0	1	427.482	3.297	40	0		IGABMN
COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1	ZINC000408693507	556099213	/nfs/dbraw/zinc/09/92/13/556099213.db2.gz	XYSWWUMKQXAHDY-UHFFFAOYSA-N	0	1	434.514	3.139	40	0		IGABMN
O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2F)CC1	ZINC000039768572	556437364	/nfs/dbraw/zinc/43/73/64/556437364.db2.gz	BXFDKKKHDYAVLJ-UHFFFAOYSA-N	0	1	425.504	3.149	40	0		IGABMN
CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1	ZINC000257302213	556717496	/nfs/dbraw/zinc/71/74/96/556717496.db2.gz	SBZDGXCDYXJMNP-RUZDIDTESA-N	0	1	430.552	3.093	40	0		IGABMN
O=C(c1ccc2c(c1)nc1n(c2=O)CCN(Cc2ccccc2)CC1)N1CCCCCC1	ZINC000019372412	556748639	/nfs/dbraw/zinc/74/86/39/556748639.db2.gz	OLSBCJBYLSBFMB-UHFFFAOYSA-N	0	1	430.552	3.471	40	0		IGABMN
CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccnc(N2CCCC2)n1	ZINC000019450073	556760935	/nfs/dbraw/zinc/76/09/35/556760935.db2.gz	ACCRRMFSQMGPTM-ROUUACIJSA-N	0	1	429.515	3.095	40	0		IGABMN
CCCn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cn1	ZINC000019526087	556783829	/nfs/dbraw/zinc/78/38/29/556783829.db2.gz	ZQJHMCNQWVEMTO-NRFANRHFSA-N	0	1	438.576	3.457	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cnn1C	ZINC000019553350	556797210	/nfs/dbraw/zinc/79/72/10/556797210.db2.gz	BLUBLLKWSQIERK-NRFANRHFSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cnn1C	ZINC000019553350	556797215	/nfs/dbraw/zinc/79/72/15/556797215.db2.gz	BLUBLLKWSQIERK-NRFANRHFSA-N	0	1	438.576	3.282	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555558	556798543	/nfs/dbraw/zinc/79/85/43/556798543.db2.gz	PWAPWOHWSHSCBY-IBGZPJMESA-N	0	1	436.556	3.255	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@H]2O	ZINC000019563033	556803996	/nfs/dbraw/zinc/80/39/96/556803996.db2.gz	SKKINYRCJFFMBT-WOJBJXKFSA-N	0	1	429.513	3.097	40	0		IGABMN
Cc1noc(C)c1CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1	ZINC000019580471	556818484	/nfs/dbraw/zinc/81/84/84/556818484.db2.gz	VQWTVAZCFDCCMD-UHFFFAOYSA-N	0	1	425.508	3.154	40	0		IGABMN
COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)c1ccn[nH]1	ZINC000019694828	556851155	/nfs/dbraw/zinc/85/11/55/556851155.db2.gz	WNRUQHXBCLAUBM-QGZVFWFLSA-N	0	1	436.516	3.317	40	0		IGABMN
Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)CN4CCCC4)nc32)cc1	ZINC000019740784	556881715	/nfs/dbraw/zinc/88/17/15/556881715.db2.gz	XREHVKZXKDFJTQ-QFIPXVFZSA-N	0	1	447.583	3.332	40	0		IGABMN
CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)CN3CCCC3=O)cc(C(F)(F)F)c21	ZINC000019742370	556886283	/nfs/dbraw/zinc/88/62/83/556886283.db2.gz	NIFOKENBBSCEIV-CQSZACIVSA-N	0	1	438.454	3.083	40	0		IGABMN
COCc1ccc(C(=O)N2CCC(c3ccc4c(n[nH]c4NCc4ncc[nH]4)n3)CC2)cc1	ZINC000019745182	556891976	/nfs/dbraw/zinc/89/19/76/556891976.db2.gz	VHWBDLREWHSPTH-UHFFFAOYSA-N	0	1	445.527	3.459	40	0		IGABMN
Cc1nc2ccc(NC(=O)CC3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2[nH]1	ZINC000019748634	556892986	/nfs/dbraw/zinc/89/29/86/556892986.db2.gz	QMAIHDNVOWLOTR-UHFFFAOYSA-N	0	1	430.505	3.440	40	0		IGABMN
CN(C)C(=O)c1cc([C@H]2CCN(C(=O)C3CN(Cc4ccccc4)C3)C2)nc2ccccc21	ZINC000019756986	556901081	/nfs/dbraw/zinc/90/10/81/556901081.db2.gz	ATOMZHDXONRVQF-FQEVSTJZSA-N	0	1	442.563	3.385	40	0		IGABMN
CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1	ZINC000072371329	556938266	/nfs/dbraw/zinc/93/82/66/556938266.db2.gz	MKRJNDRTGUXZDL-HNNXBMFYSA-N	0	1	426.970	3.061	40	0		IGABMN
CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)CN(C)C)C1	ZINC000072391568	556962517	/nfs/dbraw/zinc/96/25/17/556962517.db2.gz	LSGMRGOMIYZBTF-VWLOTQADSA-N	0	1	425.548	3.342	40	0		IGABMN
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC	ZINC000020046258	556973400	/nfs/dbraw/zinc/97/34/00/556973400.db2.gz	PUTAFGCRGJERAF-UHFFFAOYSA-N	0	1	427.482	3.081	40	0		IGABMN
CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1	ZINC000023375551	557088906	/nfs/dbraw/zinc/08/89/06/557088906.db2.gz	BDTCLIVHPGCTFV-OAQYLSRUSA-N	0	1	427.570	3.029	40	0		IGABMN
Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1	ZINC000216464326	557147079	/nfs/dbraw/zinc/14/70/79/557147079.db2.gz	ZSQZVRXXCNQALQ-UHFFFAOYSA-N	0	1	446.554	3.145	40	0		IGABMN
CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccs1)CC2	ZINC000096036914	557164169	/nfs/dbraw/zinc/16/41/69/557164169.db2.gz	AOAGSRWXCVLPND-UHFFFAOYSA-N	0	1	442.610	3.378	40	0		IGABMN
O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217533217	557170972	/nfs/dbraw/zinc/17/09/72/557170972.db2.gz	BMPRVLOTHMJZNR-MRRFBWAASA-N	0	1	442.313	3.337	40	0		IGABMN
CC(=O)Nc1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cc1	ZINC000585262112	557200863	/nfs/dbraw/zinc/20/08/63/557200863.db2.gz	IRUMNSVUXXNLFA-SMIHKQSGSA-N	0	1	448.567	3.328	40	0		IGABMN
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cncs1	ZINC000585262425	557201897	/nfs/dbraw/zinc/20/18/97/557201897.db2.gz	AWRXILUXVIWTLH-WKDRNLAYSA-N	0	1	441.528	3.093	40	0		IGABMN
CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233669	557250323	/nfs/dbraw/zinc/25/03/23/557250323.db2.gz	KHXCCTFBBMWWTE-GOSISDBHSA-N	0	1	448.571	3.140	40	0		IGABMN
CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233788	557251049	/nfs/dbraw/zinc/25/10/49/557251049.db2.gz	UAGBCIDCXDWQQL-OAQYLSRUSA-N	0	1	448.571	3.488	40	0		IGABMN
CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233788	557251050	/nfs/dbraw/zinc/25/10/50/557251050.db2.gz	UAGBCIDCXDWQQL-OAQYLSRUSA-N	0	1	448.571	3.488	40	0		IGABMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033714134	557351680	/nfs/dbraw/zinc/35/16/80/557351680.db2.gz	DTKIXLBQVYIXOU-PLOUGOBLSA-N	0	1	435.911	3.388	40	0		IGABMN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c(C)c1	ZINC000014155013	557426839	/nfs/dbraw/zinc/42/68/39/557426839.db2.gz	MCYSIZLJSCGNJQ-UHFFFAOYSA-N	0	1	449.960	3.095	40	0		IGABMN
COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000223114866	557433457	/nfs/dbraw/zinc/43/34/57/557433457.db2.gz	SWVYHIHTYWXSRM-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCOC3CCCCC3)s2)cc1	ZINC000223307783	557457430	/nfs/dbraw/zinc/45/74/30/557457430.db2.gz	OKVLUBDMCVUEOS-UHFFFAOYSA-N	0	1	438.575	3.117	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3CCCc4ccccc43)s2)c1	ZINC000223692189	557502894	/nfs/dbraw/zinc/50/28/94/557502894.db2.gz	PSHQLPIMABRBNX-KRWDZBQOSA-N	0	1	428.539	3.455	40	0		IGABMN
Cc1cc2ncn(CC3CCN(CC(=O)NCc4ccc5c(c4)OCO5)CC3)c2cc1C	ZINC000223810263	557516203	/nfs/dbraw/zinc/51/62/03/557516203.db2.gz	YOSYHMFCAJJOFC-UHFFFAOYSA-N	0	1	434.540	3.410	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1	ZINC000224305817	557588137	/nfs/dbraw/zinc/58/81/37/557588137.db2.gz	RKXZYGGQLOHJGH-UHFFFAOYSA-N	0	1	432.571	3.346	40	0		IGABMN
CC(C)Oc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1	ZINC000224497021	557612925	/nfs/dbraw/zinc/61/29/25/557612925.db2.gz	NBDBUPSOLNIQND-UHFFFAOYSA-N	0	1	440.591	3.221	40	0		IGABMN
Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000225046429	557682679	/nfs/dbraw/zinc/68/26/79/557682679.db2.gz	XSIAZLWCHWXEKB-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1	ZINC000032814510	557806921	/nfs/dbraw/zinc/80/69/21/557806921.db2.gz	LICBKRLGXUKUFZ-UHFFFAOYSA-N	0	1	425.304	3.385	40	0		IGABMN
Cc1c(NC(=O)CN(C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)cnn1C	ZINC000257261034	568693460	/nfs/dbraw/zinc/69/34/60/568693460.db2.gz	LFLYGFSXAIYBIA-CFYMNZCRSA-N	0	1	440.588	3.234	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC000257267852	568696730	/nfs/dbraw/zinc/69/67/30/568696730.db2.gz	MJAJMBSOWMBWBO-FQEVSTJZSA-N	0	1	441.919	3.110	40	0		IGABMN
Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[n-]n2c(=O)c1CCC(=O)NC1CC1	ZINC000257282510	568703262	/nfs/dbraw/zinc/70/32/62/568703262.db2.gz	OTZUKKQFOTYRDW-QGZVFWFLSA-N	0	1	437.519	3.083	40	0		IGABMN
CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)on1	ZINC000257312088	568716220	/nfs/dbraw/zinc/71/62/20/568716220.db2.gz	UMMCTVUWIMWZAT-HSZRJFAPSA-N	0	1	441.507	3.130	40	0		IGABMN
Cn1nccc1CN1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000257340928	568728995	/nfs/dbraw/zinc/72/89/95/568728995.db2.gz	ZIDVUBKDYFHJMF-FQEVSTJZSA-N	0	1	435.450	3.357	40	0		IGABMN
O=C(CC1(O)CCCCC1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705066	569233781	/nfs/dbraw/zinc/23/37/81/569233781.db2.gz	ULVHSMLKMFLKNB-QGZVFWFLSA-N	0	1	434.544	3.366	40	0		IGABMN
Cc1nc([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)ncc1C(=O)NCc1ccccc1	ZINC000019763469	569238104	/nfs/dbraw/zinc/23/81/04/569238104.db2.gz	NXTOHNXPIZCPFJ-JOCHJYFZSA-N	0	1	449.599	3.153	40	0		IGABMN
CCc1ccccc1N1C(=O)C(=Cc2cn(CC(N)=O)c3ccccc23)C(=O)NC1=S	ZINC000033366830	569243586	/nfs/dbraw/zinc/24/35/86/569243586.db2.gz	FKTAMHCVCJFDOA-GZTJUZNOSA-N	0	1	432.505	3.361	40	0		IGABMN
CCOc1cccc(N2C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)c1	ZINC000033750580	569246450	/nfs/dbraw/zinc/24/64/50/569246450.db2.gz	BZBODISBPSAWDB-VCHYOVAHSA-N	0	1	448.504	3.197	40	0		IGABMN
O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1	ZINC000096111849	291363037	/nfs/dbraw/zinc/36/30/37/291363037.db2.gz	KNWOVNHKTHVUBI-UNMCSNQZSA-N	0	1	429.476	3.349	40	0	biogenic,in-vitro	IGABMN
O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1	ZINC000096111849	291363038	/nfs/dbraw/zinc/36/30/38/291363038.db2.gz	KNWOVNHKTHVUBI-UNMCSNQZSA-N	0	1	429.476	3.349	40	0	biogenic,in-vitro	IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21C(=O)Nc2c1cccc2Cl	ZINC000035375195	522105381	/nfs/dbraw/zinc/10/53/81/522105381.db2.gz	NUXASOIAYFNQAH-OJLNUFHDSA-N	0	1	437.927	3.102	40	0		IGABMN
COc1cc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc(OC)c1	ZINC000012186607	522370910	/nfs/dbraw/zinc/37/09/10/522370910.db2.gz	YMMVYKDSLZRIMQ-UHFFFAOYSA-N	0	1	441.553	3.016	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1	ZINC000022530918	525025870	/nfs/dbraw/zinc/02/58/70/525025870.db2.gz	FTUOERCWMSVORT-UHFFFAOYSA-N	0	1	446.550	3.434	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)n1	ZINC000022533157	525695172	/nfs/dbraw/zinc/69/51/72/525695172.db2.gz	VFOZZUYHBFSJDI-UHFFFAOYSA-N	0	1	432.889	3.257	40	0		IGABMN
COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1	ZINC000020456085	526238460	/nfs/dbraw/zinc/23/84/60/526238460.db2.gz	VCUBUBLUNWHPHE-OAHLLOKOSA-N	0	1	427.482	3.297	40	0		IGABMN
COc1ccc(OC)c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1	ZINC000408610680	555980513	/nfs/dbraw/zinc/98/05/13/555980513.db2.gz	VGXJGJBAGOFKOX-OAHLLOKOSA-N	0	1	436.530	3.044	40	0		IGABMN
Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@H]3CC(=O)c4cc(F)ccc4O3)CC2)n[nH]1	ZINC000012087400	556400596	/nfs/dbraw/zinc/40/05/96/556400596.db2.gz	MJDGACOJHJQWBQ-JOCHJYFZSA-N	0	1	437.475	3.144	40	0		IGABMN
COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cn(C)nc4C)[nH]n3)C1)O2	ZINC000012088351	556401267	/nfs/dbraw/zinc/40/12/67/556401267.db2.gz	CVXUVICYFUQSPP-WNSKOXEYSA-N	0	1	449.511	3.013	40	0		IGABMN
O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2[nH]c1=O	ZINC000013582163	556528394	/nfs/dbraw/zinc/52/83/94/556528394.db2.gz	WKGFDKPHYGHERC-UHFFFAOYSA-N	0	1	443.868	3.463	40	0		IGABMN
COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1	ZINC000013668092	556548638	/nfs/dbraw/zinc/54/86/38/556548638.db2.gz	LNDPFMAQRKAJMV-UHFFFAOYSA-N	0	1	436.917	3.166	40	0		IGABMN
COc1cc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(OC)cc1Cl	ZINC000044845114	556669433	/nfs/dbraw/zinc/66/94/33/556669433.db2.gz	FYGSTQYSRWEKFG-UHFFFAOYSA-N	0	1	440.905	3.293	40	0		IGABMN
Cc1ccn(C[C@@H](C)C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1	ZINC000019238010	556722720	/nfs/dbraw/zinc/72/27/20/556722720.db2.gz	KQGWUDUZSDHGDP-QGZVFWFLSA-N	0	1	438.551	3.148	40	0		IGABMN
O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019333179	556737824	/nfs/dbraw/zinc/73/78/24/556737824.db2.gz	ZCANZVRZDWUAHD-SFHVURJKSA-N	0	1	438.547	3.158	40	0		IGABMN
O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019348047	556743606	/nfs/dbraw/zinc/74/36/06/556743606.db2.gz	LSHLHBLACLNXNC-GOSISDBHSA-N	0	1	438.547	3.158	40	0		IGABMN
O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019370651	556748147	/nfs/dbraw/zinc/74/81/47/556748147.db2.gz	AWJYYSSSFYLBKL-FQEVSTJZSA-N	0	1	434.584	3.409	40	0		IGABMN
O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019406418	556755036	/nfs/dbraw/zinc/75/50/36/556755036.db2.gz	YZPGKWFDVDVWAD-KRWDZBQOSA-N	0	1	426.586	3.081	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)[n-]n3c(=O)c2C1	ZINC000019448079	556757223	/nfs/dbraw/zinc/75/72/23/556757223.db2.gz	OVQKOUKQAFPBAB-IBGZPJMESA-N	0	1	433.556	3.150	40	0		IGABMN
CC1CCN(CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)CC1	ZINC000019496886	556769120	/nfs/dbraw/zinc/76/91/20/556769120.db2.gz	NHVAEIPBPWZOQY-UHFFFAOYSA-N	0	1	432.450	3.158	40	0		IGABMN
CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1	ZINC000019501582	556772929	/nfs/dbraw/zinc/77/29/29/556772929.db2.gz	ZWMMPHZPOCLCEG-MRXNPFEDSA-N	0	1	430.499	3.113	40	0		IGABMN
CCN(Cc1ccc(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)o1)S(C)(=O)=O	ZINC000019526601	556784922	/nfs/dbraw/zinc/78/49/22/556784922.db2.gz	CFSOLNPQPGXMPE-UHFFFAOYSA-N	0	1	445.629	3.219	40	0		IGABMN
CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2C)C1	ZINC000019530075	556791303	/nfs/dbraw/zinc/79/13/03/556791303.db2.gz	LBYJGURMPUJQAJ-REWPJTCUSA-N	0	1	428.508	3.288	40	0		IGABMN
Cc1nn(CC(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c(C)c1C	ZINC000019556608	556799305	/nfs/dbraw/zinc/79/93/05/556799305.db2.gz	MJVSUZSGDWUAPJ-UHFFFAOYSA-N	0	1	438.551	3.129	40	0		IGABMN
CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCCN(C)c3ccccc3)c2C1	ZINC000019711330	556875733	/nfs/dbraw/zinc/87/57/33/556875733.db2.gz	IXHKJUNEHUKDRT-FQEVSTJZSA-N	0	1	436.604	3.129	40	0		IGABMN
CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1	ZINC000072371330	556938377	/nfs/dbraw/zinc/93/83/77/556938377.db2.gz	MKRJNDRTGUXZDL-OAHLLOKOSA-N	0	1	426.970	3.061	40	0		IGABMN
Cc1ccc(N2C(=O)C(OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409279352	557046123	/nfs/dbraw/zinc/04/61/23/557046123.db2.gz	HJNLKDXAQQTPLA-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409279352	557046128	/nfs/dbraw/zinc/04/61/28/557046128.db2.gz	HJNLKDXAQQTPLA-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C	ZINC000585168847	557131053	/nfs/dbraw/zinc/13/10/53/557131053.db2.gz	CRKBZHOVNYERME-ZDUSSCGKSA-N	0	1	426.443	3.011	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1	ZINC000021595775	557155245	/nfs/dbraw/zinc/15/52/45/557155245.db2.gz	OURSBNFMPZZPOW-UHFFFAOYSA-N	0	1	425.529	3.366	40	0		IGABMN
Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)c1	ZINC000585274206	557218472	/nfs/dbraw/zinc/21/84/72/557218472.db2.gz	UECXWWLBOWEWJR-DEOSSOPVSA-N	0	1	446.975	3.439	40	0		IGABMN
Cc1cccnc1C[N@@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3	ZINC000100233889	557251363	/nfs/dbraw/zinc/25/13/63/557251363.db2.gz	QBTMBKXTNCOXMY-QFIPXVFZSA-N	0	1	448.571	3.406	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4cccc(OC)c4)[n-]n3c(=O)c2C1	ZINC000100233966	557252085	/nfs/dbraw/zinc/25/20/85/557252085.db2.gz	ATSZQOCSTQINHG-JOCHJYFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4cccc(O)c4)[n-]n3c(=O)c2C1	ZINC000100243202	557255467	/nfs/dbraw/zinc/25/54/67/557255467.db2.gz	QBAVUVDZCCSRPP-JOCHJYFZSA-N	0	1	449.555	3.408	40	0		IGABMN
CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4cccc(O)c4)[n-]n3c(=O)c2C1	ZINC000100243199	557255480	/nfs/dbraw/zinc/25/54/80/557255480.db2.gz	QBAVUVDZCCSRPP-QFIPXVFZSA-N	0	1	449.555	3.408	40	0		IGABMN
COc1ccc(C)cc1C[N@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100248198	557255661	/nfs/dbraw/zinc/25/56/61/557255661.db2.gz	YGFUYPJEGCPGES-QFIPXVFZSA-N	0	1	449.555	3.384	40	0		IGABMN
O[C@@H](Cn1c2ccccc2c2cc(I)ccc21)CN1CCOCC1	ZINC000027489710	557262788	/nfs/dbraw/zinc/26/27/88/557262788.db2.gz	JNRMRZFZCXXZNY-OAHLLOKOSA-N	0	1	436.293	3.092	40	0		IGABMN
CCOc1ccc(CN2CCC([C@H](NC(=O)COC)c3ccccn3)CC2)cc1OC	ZINC000057773992	557263746	/nfs/dbraw/zinc/26/37/46/557263746.db2.gz	XIDQQCBTBYRSAS-DEOSSOPVSA-N	0	1	427.545	3.205	40	0		IGABMN
Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000222809454	557389247	/nfs/dbraw/zinc/38/92/47/557389247.db2.gz	RVUHTCIUXLEBMC-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1)c1ccc(Cl)cc1	ZINC000224129504	557564686	/nfs/dbraw/zinc/56/46/86/557564686.db2.gz	IBNURFDVKRQTIG-UHFFFAOYSA-N	0	1	436.946	3.355	40	0		IGABMN
COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000224515575	557615143	/nfs/dbraw/zinc/61/51/43/557615143.db2.gz	HGHISRPBLATCCK-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1	ZINC000225263191	557706695	/nfs/dbraw/zinc/70/66/95/557706695.db2.gz	PFTVEJVVSBVZDA-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2cccc(OC(C)C)c2)s1	ZINC000225275412	557708057	/nfs/dbraw/zinc/70/80/57/557708057.db2.gz	STCLPIBGKIXJHV-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCc2ccco2)s1)c1ccc(Cl)cc1Cl	ZINC000225436777	557722807	/nfs/dbraw/zinc/72/28/07/557722807.db2.gz	UUTCUIJOMXRBSB-UHFFFAOYSA-N	0	1	433.298	3.169	40	0		IGABMN
COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1	ZINC000225718105	557767954	/nfs/dbraw/zinc/76/79/54/557767954.db2.gz	NAPVMKUQDHXUJE-UHFFFAOYSA-N	0	1	436.511	3.240	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCCC2)cc1	ZINC000257206374	568668126	/nfs/dbraw/zinc/66/81/26/568668126.db2.gz	BDBOHWUCLNVMIR-HXUWFJFHSA-N	0	1	446.573	3.350	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)ccn1	ZINC000257223384	568675773	/nfs/dbraw/zinc/67/57/73/568675773.db2.gz	DXCNUNDCXUTHCJ-HXUWFJFHSA-N	0	1	441.919	3.335	40	0		IGABMN
Cc1nc2ccc(NC(=O)C[C@H]3CCCN(C(=O)CN4CCc5ccccc5C4)C3)cc2[nH]1	ZINC000257248617	568687745	/nfs/dbraw/zinc/68/77/45/568687745.db2.gz	JELYHZINEAAEOQ-LJQANCHMSA-N	0	1	445.567	3.497	40	0		IGABMN
CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000257300933	568711537	/nfs/dbraw/zinc/71/15/37/568711537.db2.gz	RWHILCQTPMFYAT-LUKWVAJMSA-N	0	1	441.572	3.420	40	0		IGABMN
O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccc1F)C[C@H]2c1cccnc1	ZINC000306129701	568765859	/nfs/dbraw/zinc/76/58/59/568765859.db2.gz	IKJLMXRKKDDTFB-WIOPSUGQSA-N	0	1	432.499	3.013	40	0		IGABMN
C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000306141546	568772210	/nfs/dbraw/zinc/77/22/10/568772210.db2.gz	VZWYQEZESZDXBZ-UHFFFAOYSA-N	0	1	435.503	3.250	40	0		IGABMN
COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F	ZINC000247930600	569206539	/nfs/dbraw/zinc/20/65/39/569206539.db2.gz	ROFWNZLTZRLYSD-QTGUNEKASA-N	0	1	427.520	3.478	40	0		IGABMN
CCCc1ncc(CN2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1	ZINC000247938918	569206571	/nfs/dbraw/zinc/20/65/71/569206571.db2.gz	MGBAIOHIBLFTJH-GBXCKJPGSA-N	0	1	438.572	3.459	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000253599786	569209105	/nfs/dbraw/zinc/20/91/05/569209105.db2.gz	UNNMZLDFUWJFHS-APWZRJJASA-N	0	1	442.585	3.343	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000253599786	569209106	/nfs/dbraw/zinc/20/91/06/569209106.db2.gz	UNNMZLDFUWJFHS-APWZRJJASA-N	0	1	442.585	3.343	40	0		IGABMN
CSc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1	ZINC000026117718	569242474	/nfs/dbraw/zinc/24/24/74/569242474.db2.gz	CATRNTLHVDWSKZ-UHFFFAOYSA-N	0	1	438.596	3.404	40	0		IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000035374925	522105750	/nfs/dbraw/zinc/10/57/50/522105750.db2.gz	YSPSKCBBAZTUPG-ITIYDSSPSA-N	0	1	437.927	3.102	40	0		IGABMN
COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)c1	ZINC000408637676	556015181	/nfs/dbraw/zinc/01/51/81/556015181.db2.gz	MVRWTAVQITWMLL-UHFFFAOYSA-N	0	1	427.486	3.178	40	0		IGABMN
COC(=O)[C@](NC(=O)c1ccc(Br)cc1)(Nc1nccs1)C(F)(F)F	ZINC000015304023	556517471	/nfs/dbraw/zinc/51/74/71/556517471.db2.gz	WORFVATUHSJVKL-ZDUSSCGKSA-N	0	1	438.225	3.179	40	0		IGABMN
CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000257343277	556709599	/nfs/dbraw/zinc/70/95/99/556709599.db2.gz	ZSGLXNNVJVDZRA-DEOSSOPVSA-N	0	1	430.520	3.271	40	0		IGABMN
CC(C)(C)c1ccc(CN2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c(OCC(N)=O)c1	ZINC000257239700	556710337	/nfs/dbraw/zinc/71/03/37/556710337.db2.gz	HQJXWEPCQNGPIV-DHLKQENFSA-N	0	1	444.547	3.392	40	0		IGABMN
Cc1ccc2nc(COCC(=O)N3CCC[C@H](c4noc(-c5cccnc5)n4)C3)[nH]c2c1	ZINC000019219689	556714054	/nfs/dbraw/zinc/71/40/54/556714054.db2.gz	JDCPJMKCDVXUFV-KRWDZBQOSA-N	0	1	432.484	3.239	40	0		IGABMN
O=C(Cc1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019338434	556739362	/nfs/dbraw/zinc/73/93/62/556739362.db2.gz	RPPGWQQHZDPDOB-HSZRJFAPSA-N	0	1	449.599	3.400	40	0		IGABMN
O=C(Cc1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019338434	556739366	/nfs/dbraw/zinc/73/93/66/556739366.db2.gz	RPPGWQQHZDPDOB-HSZRJFAPSA-N	0	1	449.599	3.400	40	0		IGABMN
O=C(Cc1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019338429	556739523	/nfs/dbraw/zinc/73/95/23/556739523.db2.gz	RPPGWQQHZDPDOB-QHCPKHFHSA-N	0	1	449.599	3.400	40	0		IGABMN
O=C(Cc1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019338429	556739524	/nfs/dbraw/zinc/73/95/24/556739524.db2.gz	RPPGWQQHZDPDOB-QHCPKHFHSA-N	0	1	449.599	3.400	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)[n-]n3c(=O)c2C1	ZINC000019448077	556756952	/nfs/dbraw/zinc/75/69/52/556756952.db2.gz	OVQKOUKQAFPBAB-LJQANCHMSA-N	0	1	433.556	3.150	40	0		IGABMN
CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cc(C(C)C)[nH]n2)CCO1	ZINC000019451871	556762690	/nfs/dbraw/zinc/76/26/90/556762690.db2.gz	IKSHSROMHWOHDV-AREMUKBSSA-N	0	1	446.551	3.400	40	0		IGABMN
CCOc1ccc(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1	ZINC000019533054	556793107	/nfs/dbraw/zinc/79/31/07/556793107.db2.gz	UNHIRQITAPGJAR-UHFFFAOYSA-N	0	1	433.556	3.204	40	0		IGABMN
COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2	ZINC000019562211	556803538	/nfs/dbraw/zinc/80/35/38/556803538.db2.gz	KWOFTCDBFNKTBP-NHCUHLMSSA-N	0	1	441.524	3.241	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@H]2O	ZINC000019563039	556804001	/nfs/dbraw/zinc/80/40/01/556804001.db2.gz	SKKINYRCJFFMBT-UXHICEINSA-N	0	1	429.513	3.097	40	0		IGABMN
CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccccc1F)C2	ZINC000019708523	556869271	/nfs/dbraw/zinc/86/92/71/556869271.db2.gz	AHKVHEWZMDUOSO-MRXNPFEDSA-N	0	1	425.552	3.329	40	0		IGABMN
COc1ccc(CCNc2nc([C@@H]3CCCN(C)C3)nc3c2CN(C(C)=O)CC3)cc1C	ZINC000019711313	556875495	/nfs/dbraw/zinc/87/54/95/556875495.db2.gz	YMVTYAIPOBJJOD-HXUWFJFHSA-N	0	1	437.588	3.162	40	0		IGABMN
CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N(C)Cc3ccc4ncccc4c3)c2C1	ZINC000019711298	556875545	/nfs/dbraw/zinc/87/55/45/556875545.db2.gz	ZTHQQYDTVALJFJ-OAQYLSRUSA-N	0	1	444.583	3.375	40	0		IGABMN
Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019741280	556883162	/nfs/dbraw/zinc/88/31/62/556883162.db2.gz	ITUZMYJIUMRAEU-NRFANRHFSA-N	0	1	447.583	3.066	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2CCc1ccccc1	ZINC000019743171	556887402	/nfs/dbraw/zinc/88/74/02/556887402.db2.gz	YRVNIXNLYANEKX-NRFANRHFSA-N	0	1	444.539	3.397	40	0		IGABMN
O=C(CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)NCCc1ccccc1F	ZINC000019748460	556893046	/nfs/dbraw/zinc/89/30/46/556893046.db2.gz	HRNQUNRRLJCVDO-UHFFFAOYSA-N	0	1	425.552	3.177	40	0		IGABMN
CN(CCC(=O)N1CCC[C@@H]1Cc1c2ccccc2sc1C(N)=O)Cc1ccccn1	ZINC000072370263	556934256	/nfs/dbraw/zinc/93/42/56/556934256.db2.gz	OPKLNAVTKLHIEM-GOSISDBHSA-N	0	1	436.581	3.451	40	0		IGABMN
CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1	ZINC000072371332	556938212	/nfs/dbraw/zinc/93/82/12/556938212.db2.gz	YGXXGSTYSLGANG-OAHLLOKOSA-N	0	1	426.970	3.061	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072371575	556939449	/nfs/dbraw/zinc/93/94/49/556939449.db2.gz	BXBJAJSSYFKZLP-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1	ZINC000072371574	556939471	/nfs/dbraw/zinc/93/94/71/556939471.db2.gz	XCMWDCMOJKEWNU-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)n1	ZINC000019933492	556949995	/nfs/dbraw/zinc/94/99/95/556949995.db2.gz	AYMPMJMKTULTDE-CQSZACIVSA-N	0	1	430.461	3.131	40	0		IGABMN
COc1ncc([C@]2(O)CC[C@H]3CN(Cc4nc5ccccc5n4C(C)C)C[C@H]32)c(OC)n1	ZINC000072392614	556964029	/nfs/dbraw/zinc/96/40/29/556964029.db2.gz	CIDDSEBARZXHHX-NVTAWBTOSA-N	0	1	437.544	3.154	40	0		IGABMN
CCN1C[C@]2(CC1=O)CN(Cc1ccc(OC)cc1)CCN(C(=O)Nc1ccccc1)C2	ZINC000096036260	557163519	/nfs/dbraw/zinc/16/35/19/557163519.db2.gz	XNGMEADUMZWRSP-VWLOTQADSA-N	0	1	436.556	3.284	40	0		IGABMN
Cc1cc(NC(=O)c2ccc3nnc([C@H]4CN(CC5CC5)CCN4C(C)C)n3c2)ccn1	ZINC000096088399	557168988	/nfs/dbraw/zinc/16/89/88/557168988.db2.gz	TUOGCNXUGQEOSA-OAQYLSRUSA-N	0	1	433.560	3.162	40	0		IGABMN
CN(Cc1ccc(F)cc1)[C@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1O	ZINC000585262113	557200847	/nfs/dbraw/zinc/20/08/47/557200847.db2.gz	JHFPSMLAIUIZGL-DQEYMECFSA-N	0	1	447.554	3.208	40	0		IGABMN
CCC(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4CCCc4ccccc4)cc3nc2C1	ZINC000100234405	557252893	/nfs/dbraw/zinc/25/28/93/557252893.db2.gz	CHDKRGYAIYLYNX-JOCHJYFZSA-N	0	1	433.556	3.499	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4ccc(F)c(F)c4)[n-]n3c(=O)c2C1	ZINC000100243014	557255042	/nfs/dbraw/zinc/25/50/42/557255042.db2.gz	MNHRZXFASMCPCY-OAQYLSRUSA-N	0	1	441.482	3.345	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccc(F)c(F)c4)[n-]n3c(=O)c2C1	ZINC000100243014	557255045	/nfs/dbraw/zinc/25/50/45/557255045.db2.gz	MNHRZXFASMCPCY-OAQYLSRUSA-N	0	1	441.482	3.345	40	0		IGABMN
COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1	ZINC000222707588	557376902	/nfs/dbraw/zinc/37/69/02/557376902.db2.gz	FQMRJENQMVJEIT-UHFFFAOYSA-N	0	1	440.978	3.307	40	0		IGABMN
Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000222809528	557389256	/nfs/dbraw/zinc/38/92/56/557389256.db2.gz	RVUHTCIUXLEBMC-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000223005549	557414492	/nfs/dbraw/zinc/41/44/92/557414492.db2.gz	FTMQVNRHNKOLHD-UHFFFAOYSA-N	0	1	432.951	3.098	40	0		IGABMN
Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000224351071	557596544	/nfs/dbraw/zinc/59/65/44/557596544.db2.gz	NFXFYKWYIABFON-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)s2)c1	ZINC000224374703	557599104	/nfs/dbraw/zinc/59/91/04/557599104.db2.gz	LTBUDJWNUWEBRT-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)C[C@H](Cc2cccc3ncccc23)C1	ZINC000257225017	568676293	/nfs/dbraw/zinc/67/62/93/568676293.db2.gz	FEMMGPUMUMPRDX-NRFANRHFSA-N	0	1	444.583	3.148	40	0		IGABMN
O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1	ZINC000306129699	568765987	/nfs/dbraw/zinc/76/59/87/568765987.db2.gz	IKJLMXRKKDDTFB-RCZVLFRGSA-N	0	1	432.499	3.013	40	0		IGABMN
CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2	ZINC000306141205	568771956	/nfs/dbraw/zinc/77/19/56/568771956.db2.gz	VOHQZXKDCVKSSV-NRFANRHFSA-N	0	1	435.568	3.089	40	0		IGABMN
CC(C)c1nc(NCc2ccccc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000329065063	568811061	/nfs/dbraw/zinc/81/10/61/568811061.db2.gz	XOFLEWIHECZUTN-UHFFFAOYSA-N	0	1	437.569	3.422	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@@H]1Cc1ccccc1	ZINC000019370534	569226712	/nfs/dbraw/zinc/22/67/12/569226712.db2.gz	BJLGZTLZMLYDDH-DHIUTWEWSA-N	0	1	448.611	3.383	40	0		IGABMN
COCCc1ncc(CN2CCC3(CC2)CC=CCN(CCc2ccccc2)C3=O)cn1	ZINC000019742721	569236710	/nfs/dbraw/zinc/23/67/10/569236710.db2.gz	CJPPVRADHDHDGZ-UHFFFAOYSA-N	0	1	434.584	3.279	40	0		IGABMN
COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1	ZINC000028206628	569242621	/nfs/dbraw/zinc/24/26/21/569242621.db2.gz	UMRJUOGMQZSAFZ-UHFFFAOYSA-N	0	1	436.489	3.477	40	0		IGABMN
OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000225468163	291363938	/nfs/dbraw/zinc/36/39/38/291363938.db2.gz	SFORNTVUWGWQCX-UHFFFAOYSA-N	0	1	441.519	3.478	40	0	biogenic,in-vitro	IGABMN
O=C(NCc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1	ZINC000020464534	526733677	/nfs/dbraw/zinc/73/36/77/526733677.db2.gz	JINBLVBEXMXBBY-SFHVURJKSA-N	0	1	444.451	3.198	40	0	biogenic,in-vitro	IGABMN
O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1	ZINC000041689852	527657630	/nfs/dbraw/zinc/65/76/30/527657630.db2.gz	PATSINVCZKLCSB-RHCLBKJASA-N	0	1	432.580	3.311	40	0		IGABMN
O=C(Nc1ccc(Br)cc1)c1cnc(NS(=O)(=O)c2ccccc2)nc1	ZINC000408535488	555764058	/nfs/dbraw/zinc/76/40/58/555764058.db2.gz	ZGJNNXIQNXJOJR-UHFFFAOYSA-N	0	1	433.287	3.292	40	0		IGABMN
CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1	ZINC000019081090	556695775	/nfs/dbraw/zinc/69/57/75/556695775.db2.gz	YXZLPHFXSNHKAI-UHFFFAOYSA-N	0	1	425.577	3.488	40	0		IGABMN
O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019343149	556740984	/nfs/dbraw/zinc/74/09/84/556740984.db2.gz	UVTFHIRGCIQWTF-INIZCTEOSA-N	0	1	426.586	3.081	40	0		IGABMN
O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2	ZINC000019345591	556742557	/nfs/dbraw/zinc/74/25/57/556742557.db2.gz	QSPNGYMPRPVUAK-VQTJNVASSA-N	0	1	429.488	3.371	40	0		IGABMN
O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2	ZINC000019345578	556742623	/nfs/dbraw/zinc/74/26/23/556742623.db2.gz	OBRJYOPZUJSJTN-MOPGFXCFSA-N	0	1	431.916	3.495	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1	ZINC000019370575	556747686	/nfs/dbraw/zinc/74/76/86/556747686.db2.gz	CKWMPJGBGYXWIU-HSZRJFAPSA-N	0	1	448.611	3.240	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000019370565	556747792	/nfs/dbraw/zinc/74/77/92/556747792.db2.gz	WBWDNJZROYXUKM-GOTSBHOMSA-N	0	1	448.611	3.240	40	0		IGABMN
C[C@@H](CN(C)CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1	ZINC000019455957	556765568	/nfs/dbraw/zinc/76/55/68/556765568.db2.gz	KKWBIZCCGZAEDI-FQEVSTJZSA-N	0	1	436.600	3.411	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[n-]n3c(=O)c2C1	ZINC000019500293	556772453	/nfs/dbraw/zinc/77/24/53/556772453.db2.gz	KFAQNJNYPXCEHD-UHFFFAOYSA-N	0	1	448.571	3.396	40	0		IGABMN
COc1cccc(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC	ZINC000019567837	556808242	/nfs/dbraw/zinc/80/82/42/556808242.db2.gz	MWQJJGHUYMMUBQ-SFHVURJKSA-N	0	1	436.512	3.396	40	0		IGABMN
CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N(C)Cc3ccc4ncccc4c3)c2C1	ZINC000019711299	556875418	/nfs/dbraw/zinc/87/54/18/556875418.db2.gz	ZTHQQYDTVALJFJ-NRFANRHFSA-N	0	1	444.583	3.375	40	0		IGABMN
Nc1[nH]nc2nc([C@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12	ZINC000019742386	556886232	/nfs/dbraw/zinc/88/62/32/556886232.db2.gz	LFXHSVOYUWKAQP-CQSZACIVSA-N	0	1	443.426	3.365	40	0		IGABMN
Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(CC(=O)N3CCCCC3)CC2)n1	ZINC000019756329	556900021	/nfs/dbraw/zinc/90/00/21/556900021.db2.gz	IVPOXPDWRTYSDO-UHFFFAOYSA-N	0	1	441.551	3.079	40	0		IGABMN
COc1cc2c(cc1CN1CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC1)OCO2	ZINC000072337256	556910294	/nfs/dbraw/zinc/91/02/94/556910294.db2.gz	YCCSUSACTDDPLO-UHFFFAOYSA-N	0	1	440.544	3.047	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccc(F)c3)CC2)o1	ZINC000072344905	556915777	/nfs/dbraw/zinc/91/57/77/556915777.db2.gz	RLCGZDNBJOTFHP-LJQANCHMSA-N	0	1	436.553	3.465	40	0		IGABMN
O=C(CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)N1CCOCC1	ZINC000072359381	556932450	/nfs/dbraw/zinc/93/24/50/556932450.db2.gz	XFBHFGWWUXPQOI-UHFFFAOYSA-N	0	1	434.462	3.201	40	0		IGABMN
Cc1nc([C@H](C)n2ncc3ccccc3c2=O)cc(N2CCN(Cc3ccccc3)CC2)n1	ZINC000072373274	556946088	/nfs/dbraw/zinc/94/60/88/556946088.db2.gz	JWKNGQLJHJZKCE-IBGZPJMESA-N	0	1	440.551	3.426	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3cnccn3)cc(C)n2)C1	ZINC000072375034	556950450	/nfs/dbraw/zinc/95/04/50/556950450.db2.gz	RMHJNTQHLMDELT-INIZCTEOSA-N	0	1	428.518	3.097	40	0		IGABMN
COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc(OC)c1OC	ZINC000072393212	556964565	/nfs/dbraw/zinc/96/45/65/556964565.db2.gz	WFKFXQUNPCHLOG-KRWDZBQOSA-N	0	1	436.512	3.237	40	0		IGABMN
COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc(OC)c1OC	ZINC000072393212	556964568	/nfs/dbraw/zinc/96/45/68/556964568.db2.gz	WFKFXQUNPCHLOG-KRWDZBQOSA-N	0	1	436.512	3.237	40	0		IGABMN
O=C(Cc1ccccn1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN21	ZINC000585110196	557043120	/nfs/dbraw/zinc/04/31/20/557043120.db2.gz	VZNNPWRLIUMPMJ-BJKOFHAPSA-N	0	1	440.547	3.434	40	0		IGABMN
O=C(OC1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409306164	557058668	/nfs/dbraw/zinc/05/86/68/557058668.db2.gz	OLJMORHAIRUQJF-PMACEKPBSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(O[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409306164	557058673	/nfs/dbraw/zinc/05/86/73/557058673.db2.gz	OLJMORHAIRUQJF-PMACEKPBSA-N	0	1	433.391	3.150	40	0		IGABMN
Cc1cccc(N2C(=O)C(OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409307461	557059219	/nfs/dbraw/zinc/05/92/19/557059219.db2.gz	UYYZNPCRGPYQMB-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1cccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409307461	557059224	/nfs/dbraw/zinc/05/92/24/557059224.db2.gz	UYYZNPCRGPYQMB-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
CCCc1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)no1	ZINC000100234288	557252396	/nfs/dbraw/zinc/25/23/96/557252396.db2.gz	ZOQTZDZXSHWJFP-FQEVSTJZSA-N	0	1	438.532	3.119	40	0		IGABMN
CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1	ZINC000100243110	557255401	/nfs/dbraw/zinc/25/54/01/557255401.db2.gz	MLPTWJXAEXKJTA-HSZRJFAPSA-N	0	1	449.555	3.465	40	0		IGABMN
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCCN2CCOCC2)c1C	ZINC000222779192	557386158	/nfs/dbraw/zinc/38/61/58/557386158.db2.gz	DGOLABNWHSJKKD-VXKWHMMOSA-N	0	1	427.618	3.215	40	0		IGABMN
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C	ZINC000222779382	557386178	/nfs/dbraw/zinc/38/61/78/557386178.db2.gz	DGOLABNWHSJKKD-FGZHOGPDSA-N	0	1	427.618	3.215	40	0		IGABMN
COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc(C(=O)OC)c1	ZINC000223440141	557472321	/nfs/dbraw/zinc/47/23/21/557472321.db2.gz	IRILUKSTLBOKGJ-UHFFFAOYSA-N	0	1	429.903	3.436	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)s2)cc1	ZINC000223867028	557522578	/nfs/dbraw/zinc/52/25/78/557522578.db2.gz	IKAITWGLEGRDEC-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
Cc1ccc(CSCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000224011014	557544068	/nfs/dbraw/zinc/54/40/68/557544068.db2.gz	XXMQATLSHHJHEF-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1	ZINC000585262290	568616447	/nfs/dbraw/zinc/61/64/47/568616447.db2.gz	CGBOXEJANBGGOM-CZJMETBBSA-N	0	1	442.559	3.353	40	0		IGABMN
CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1	ZINC000257245989	568686813	/nfs/dbraw/zinc/68/68/13/568686813.db2.gz	IRZGUILKSVMISE-CQSZACIVSA-N	0	1	436.915	3.469	40	0		IGABMN
O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCCC1	ZINC000257256656	568691716	/nfs/dbraw/zinc/69/17/16/568691716.db2.gz	KMJSUELFBZJLBK-MRXNPFEDSA-N	0	1	434.537	3.133	40	0		IGABMN
COc1ccc(C2(C(=O)N3CCCC[C@H]3c3n[n-]cc3S(C)(=O)=O)CCCC2)cc1	ZINC000257263802	568694998	/nfs/dbraw/zinc/69/49/98/568694998.db2.gz	LRNCJFTZNQDNJN-SFHVURJKSA-N	0	1	431.558	3.387	40	0		IGABMN
Cc1cc(C)n2ncc(CN3CCO[C@H](c4cc(CCOc5ccccc5)[nH]n4)C3)c2n1	ZINC000257275874	568700277	/nfs/dbraw/zinc/70/02/77/568700277.db2.gz	NRIPJAIWAJIZGM-QHCPKHFHSA-N	0	1	432.528	3.264	40	0		IGABMN
CN1CCN(c2cc(C(=O)N3CCC(Cc4cccc5cccnc54)CC3)ccn2)CC1	ZINC000257295425	568709295	/nfs/dbraw/zinc/70/92/95/568709295.db2.gz	QYGCTXUDESEUDU-UHFFFAOYSA-N	0	1	429.568	3.477	40	0		IGABMN
O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1	ZINC000257300786	568711692	/nfs/dbraw/zinc/71/16/92/568711692.db2.gz	RVQXOXYNSKDRIZ-JOCHJYFZSA-N	0	1	432.528	3.355	40	0		IGABMN
CCCN1CCN(C(=O)C2=NC(=O)NC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O	ZINC000257303003	568712500	/nfs/dbraw/zinc/71/25/00/568712500.db2.gz	SFJQSSBFDLBBHY-HXUWFJFHSA-N	0	1	432.524	3.336	40	0		IGABMN
CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257307513	568714444	/nfs/dbraw/zinc/71/44/44/568714444.db2.gz	SYZCGMNSRWCWRM-NRFANRHFSA-N	0	1	444.583	3.148	40	0		IGABMN
CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257307513	568714446	/nfs/dbraw/zinc/71/44/46/568714446.db2.gz	SYZCGMNSRWCWRM-NRFANRHFSA-N	0	1	444.583	3.148	40	0		IGABMN
Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257311430	568715998	/nfs/dbraw/zinc/71/59/98/568715998.db2.gz	UJKNXODEWYLBHK-HXUWFJFHSA-N	0	1	426.536	3.013	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccn1	ZINC000257311030	568716027	/nfs/dbraw/zinc/71/60/27/568716027.db2.gz	UHQAKTAFCIFHMR-FQEVSTJZSA-N	0	1	441.919	3.335	40	0		IGABMN
CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000257319351	568719747	/nfs/dbraw/zinc/71/97/47/568719747.db2.gz	VSAKAWDLCCLFPC-CZYKHXBRSA-N	0	1	427.545	3.030	40	0		IGABMN
Cc1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257345054	568730736	/nfs/dbraw/zinc/73/07/36/568730736.db2.gz	ZZTLQSYTOVNVIN-LJQANCHMSA-N	0	1	428.964	3.138	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000257345086	568730756	/nfs/dbraw/zinc/73/07/56/568730756.db2.gz	ZZXHKPYNVXQDRR-NRFANRHFSA-N	0	1	444.919	3.432	40	0		IGABMN
COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1	ZINC000306136501	568769350	/nfs/dbraw/zinc/76/93/50/568769350.db2.gz	PVHPXWIFZNHELW-FGZHOGPDSA-N	0	1	431.492	3.307	40	0		IGABMN
CC(C)n1cnc([C@@H]2CN(Cc3nccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1	ZINC000306142646	568772883	/nfs/dbraw/zinc/77/28/83/568772883.db2.gz	XFLOQYHMFOJVGT-WMZHIEFXSA-N	0	1	436.585	3.334	40	0		IGABMN
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000023643384	568860051	/nfs/dbraw/zinc/86/00/51/568860051.db2.gz	SPPRKROKHZPZNZ-HXUWFJFHSA-N	0	1	437.462	3.226	40	0		IGABMN
O=c1cc(O)n(-c2ccccc2S(=O)(=O)Oc2ccccc2)c(=O)n1C1CCCCC1	ZINC000001578354	132245930	/nfs/dbraw/zinc/24/59/30/132245930.db2.gz	BEFDXEZAPJMFBK-UHFFFAOYSA-N	0	1	442.493	3.472	40	0		IGABMN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2cccnc2)n[nH]1	ZINC000012483682	521389588	/nfs/dbraw/zinc/38/95/88/521389588.db2.gz	KUPJKLGEYJLLHR-UHFFFAOYSA-N	0	1	445.526	3.347	40	0		IGABMN
O[C@H](COCCOc1ccc(F)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000041690282	526283728	/nfs/dbraw/zinc/28/37/28/526283728.db2.gz	BJWFDEMYVKXGMV-FQEVSTJZSA-N	0	1	442.453	3.423	40	0		IGABMN
CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1	ZINC000019086155	556699623	/nfs/dbraw/zinc/69/96/23/556699623.db2.gz	RVNGJTCQNWXKQS-PZJWPPBQSA-N	0	1	443.617	3.100	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3C)[n-]c(=O)c2C1	ZINC000019238692	556724053	/nfs/dbraw/zinc/72/40/53/556724053.db2.gz	NNGQQHWTLLTSQJ-FQEVSTJZSA-N	0	1	449.580	3.379	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3C)[n-]c(=O)c2C1	ZINC000019238692	556724056	/nfs/dbraw/zinc/72/40/56/556724056.db2.gz	NNGQQHWTLLTSQJ-FQEVSTJZSA-N	0	1	449.580	3.379	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019238696	556724107	/nfs/dbraw/zinc/72/41/07/556724107.db2.gz	VZMGTTSOTNBHLZ-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019238696	556724108	/nfs/dbraw/zinc/72/41/08/556724108.db2.gz	VZMGTTSOTNBHLZ-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019337656	556738967	/nfs/dbraw/zinc/73/89/67/556738967.db2.gz	KNQYOBBTZZZJTK-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019337656	556738970	/nfs/dbraw/zinc/73/89/70/556738970.db2.gz	KNQYOBBTZZZJTK-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000019448089	556756909	/nfs/dbraw/zinc/75/69/09/556756909.db2.gz	OEUNWDXNQQKSOG-MRXNPFEDSA-N	0	1	437.519	3.360	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CC5CCCC5)CC4)[n-]n3c(=O)c2C1	ZINC000019448133	556757053	/nfs/dbraw/zinc/75/70/53/556757053.db2.gz	OQVPURLQJFRZPY-UHFFFAOYSA-N	0	1	425.577	3.488	40	0		IGABMN
CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccnc(N2CCCCC2)n1	ZINC000019450117	556761097	/nfs/dbraw/zinc/76/10/97/556761097.db2.gz	QRZDYHKEQIKPFP-OALUTQOASA-N	0	1	443.542	3.485	40	0		IGABMN
CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc(OC)cc4F)C[C@@H]32)c(OCC)n1	ZINC000019531783	556792281	/nfs/dbraw/zinc/79/22/81/556792281.db2.gz	XBXLGBKUYWWSJC-VVWXKSFDSA-N	0	1	431.508	3.151	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)cc1	ZINC000019555529	556798172	/nfs/dbraw/zinc/79/81/72/556798172.db2.gz	OVDWYUKOZLZBOF-JOCHJYFZSA-N	0	1	445.523	3.121	40	0		IGABMN
CCN(CC)C(=O)CN1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)CC1	ZINC000019705736	556863052	/nfs/dbraw/zinc/86/30/52/556863052.db2.gz	JWNYZGIRHSNMNY-UHFFFAOYSA-N	0	1	436.604	3.181	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019740996	556882269	/nfs/dbraw/zinc/88/22/69/556882269.db2.gz	MRDDZZCXXHKHDS-JOCHJYFZSA-N	0	1	447.583	3.414	40	0		IGABMN
Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)cc(C(F)(F)F)c12	ZINC000019742178	556885938	/nfs/dbraw/zinc/88/59/38/556885938.db2.gz	OHTKLZRKAZELLK-GFCCVEGCSA-N	0	1	425.455	3.350	40	0		IGABMN
COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(C(=O)c5ccn[nH]5)C4)nc32)cc1	ZINC000019753064	556896996	/nfs/dbraw/zinc/89/69/96/556896996.db2.gz	LNNZCRRTQZEBAB-LJQANCHMSA-N	0	1	446.555	3.489	40	0		IGABMN
COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)CN2CCCC2)nc1C	ZINC000019753474	556897073	/nfs/dbraw/zinc/89/70/73/556897073.db2.gz	CMEVVOGVWPFPHZ-HXUWFJFHSA-N	0	1	437.544	3.195	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1	ZINC000072371573	556939422	/nfs/dbraw/zinc/93/94/22/556939422.db2.gz	XCMWDCMOJKEWNU-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1nc(N)ncc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1	ZINC000072371531	556939490	/nfs/dbraw/zinc/93/94/90/556939490.db2.gz	OAYLAJHTBIYMHK-SFHVURJKSA-N	0	1	434.544	3.465	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1	ZINC000072371508	556939537	/nfs/dbraw/zinc/93/95/37/556939537.db2.gz	PCSWAKABWXLSOE-ZDUSSCGKSA-N	0	1	427.455	3.151	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CC(=O)N2CCc1ccccc1	ZINC000072380206	556958178	/nfs/dbraw/zinc/95/81/78/556958178.db2.gz	VGBWDSDYLVQDQU-FQEVSTJZSA-N	0	1	430.512	3.007	40	0		IGABMN
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1	ZINC000020110431	556985011	/nfs/dbraw/zinc/98/50/11/556985011.db2.gz	SZMCDSYCSSCUEG-INIZCTEOSA-N	0	1	426.498	3.300	40	0		IGABMN
Cc1ccccc1N1C(=O)C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409280711	557046414	/nfs/dbraw/zinc/04/64/14/557046414.db2.gz	BYOUOUGMRLCDDW-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409280711	557046417	/nfs/dbraw/zinc/04/64/17/557046417.db2.gz	BYOUOUGMRLCDDW-NHCUHLMSSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1cccc(N2C(=O)C(OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409307463	557059111	/nfs/dbraw/zinc/05/91/11/557059111.db2.gz	UYYZNPCRGPYQMB-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1cccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409307463	557059117	/nfs/dbraw/zinc/05/91/17/557059117.db2.gz	UYYZNPCRGPYQMB-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
CCN1C[C@@]2(CC1=O)CN(Cc1ccc(OC)cc1)CCN(C(=O)Nc1ccccc1)C2	ZINC000096036259	557163418	/nfs/dbraw/zinc/16/34/18/557163418.db2.gz	XNGMEADUMZWRSP-RUZDIDTESA-N	0	1	436.556	3.284	40	0		IGABMN
CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)CC1	ZINC000585261833	557197024	/nfs/dbraw/zinc/19/70/24/557197024.db2.gz	TZMCFZMEWRJOBS-FQEVSTJZSA-N	0	1	426.536	3.435	40	0		IGABMN
CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)CC1	ZINC000585261839	557197047	/nfs/dbraw/zinc/19/70/47/557197047.db2.gz	TZMCFZMEWRJOBS-HXUWFJFHSA-N	0	1	426.536	3.435	40	0		IGABMN
CC(C)(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233789	557250987	/nfs/dbraw/zinc/25/09/87/557250987.db2.gz	UAGBCIDCXDWQQL-NRFANRHFSA-N	0	1	448.571	3.488	40	0		IGABMN
CC(C)(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233789	557250990	/nfs/dbraw/zinc/25/09/90/557250990.db2.gz	UAGBCIDCXDWQQL-NRFANRHFSA-N	0	1	448.571	3.488	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000100233714	557251124	/nfs/dbraw/zinc/25/11/24/557251124.db2.gz	BMJNOZMPNJYYAK-QGZVFWFLSA-N	0	1	437.519	3.248	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4ccc(OC)cc4)[n-]n3c(=O)c2C1	ZINC000100233967	557251882	/nfs/dbraw/zinc/25/18/82/557251882.db2.gz	MDRSNWFSALLXGC-QFIPXVFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)[N@H+]1CCc2c(=O)n3[n-]c([C@H]4CCCN4C(=O)Cc4ccccc4F)cc3nc2C1	ZINC000100234270	557252304	/nfs/dbraw/zinc/25/23/04/557252304.db2.gz	JQMGUHYWCQIGNV-OAQYLSRUSA-N	0	1	437.519	3.247	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4ccc(C)s4)[n-]n3c(=O)c2C1	ZINC000100243150	557255486	/nfs/dbraw/zinc/25/54/86/557255486.db2.gz	DXKNZWNMFUZCQV-FQEVSTJZSA-N	0	1	425.558	3.437	40	0		IGABMN
CCOc1ncc(C2(O)CCN(Cc3cc(OC)c(OC)cc3C)CC2)c(OCC)n1	ZINC000057743876	557258203	/nfs/dbraw/zinc/25/82/03/557258203.db2.gz	UMAVOWARUZGDPS-UHFFFAOYSA-N	0	1	431.533	3.083	40	0		IGABMN
COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CN(C)C)CC1	ZINC000100657891	557267515	/nfs/dbraw/zinc/26/75/15/557267515.db2.gz	TZKUPNYVAODLRY-CALCHBBNSA-N	0	1	431.602	3.229	40	0		IGABMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033714135	557351711	/nfs/dbraw/zinc/35/17/11/557351711.db2.gz	DTKIXLBQVYIXOU-FLFXDLLNSA-N	0	1	435.911	3.388	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1	ZINC000019527934	557501756	/nfs/dbraw/zinc/50/17/56/557501756.db2.gz	KZMAXOWOQRYWOW-QFIPXVFZSA-N	0	1	435.576	3.055	40	0		IGABMN
Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000223707679	557504600	/nfs/dbraw/zinc/50/46/00/557504600.db2.gz	GEVSAIHBMSSZBA-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl	ZINC000223834529	557518610	/nfs/dbraw/zinc/51/86/10/557518610.db2.gz	SEUKADHSRLGCHX-UHFFFAOYSA-N	0	1	438.933	3.400	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCc3ccc(Cl)cc3)s2)c1	ZINC000225097087	557687514	/nfs/dbraw/zinc/68/75/14/557687514.db2.gz	IUHPZKAQESQAFD-UHFFFAOYSA-N	0	1	436.946	3.273	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSc2ccccc2)s1	ZINC000225585281	557747494	/nfs/dbraw/zinc/74/74/94/557747494.db2.gz	UWBUHJMCKDURQG-UHFFFAOYSA-N	0	1	434.568	3.169	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1	ZINC000059294564	557820021	/nfs/dbraw/zinc/82/00/21/557820021.db2.gz	WRPGRAOMMVNJRM-UHFFFAOYSA-N	0	1	431.920	3.204	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000061992818	557829747	/nfs/dbraw/zinc/82/97/47/557829747.db2.gz	CCINPNZGQSKDQW-KLRIDBMASA-N	0	1	428.548	3.233	40	0		IGABMN
COc1cc2c(cc1CN1CCC(c3cncc(Nc4cnccn4)n3)CC1)OCCO2	ZINC000257212587	568671193	/nfs/dbraw/zinc/67/11/93/568671193.db2.gz	CECCRKGSGAPYFN-UHFFFAOYSA-N	0	1	434.500	3.170	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)ccn1	ZINC000257219065	568673994	/nfs/dbraw/zinc/67/39/94/568673994.db2.gz	DFMDKAIFKTYRAY-FQEVSTJZSA-N	0	1	441.919	3.335	40	0		IGABMN
CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)CC1	ZINC000257232138	568679876	/nfs/dbraw/zinc/67/98/76/568679876.db2.gz	GJOQOZMRFMBELU-HXUWFJFHSA-N	0	1	426.536	3.435	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC000257274344	568699406	/nfs/dbraw/zinc/69/94/06/568699406.db2.gz	NKPZJVLWIYSSJO-NRFANRHFSA-N	0	1	444.919	3.432	40	0		IGABMN
CN(C)CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1	ZINC000257280512	568702525	/nfs/dbraw/zinc/70/25/25/568702525.db2.gz	OLEGCBSOTVWZNS-HSZRJFAPSA-N	0	1	435.996	3.292	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccn1	ZINC000257311031	568715992	/nfs/dbraw/zinc/71/59/92/568715992.db2.gz	UHQAKTAFCIFHMR-HXUWFJFHSA-N	0	1	441.919	3.335	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cc(F)ccc1F	ZINC000257324590	568722321	/nfs/dbraw/zinc/72/23/21/568722321.db2.gz	WPIXCUUPCJIYIC-VDKIKQQVSA-N	0	1	444.522	3.268	40	0		IGABMN
COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1	ZINC000306136502	568769495	/nfs/dbraw/zinc/76/94/95/568769495.db2.gz	PVHPXWIFZNHELW-VXKWHMMOSA-N	0	1	431.492	3.307	40	0		IGABMN
COc1ccc(CCNC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000009519338	568883325	/nfs/dbraw/zinc/88/33/25/568883325.db2.gz	SPIKHPQPUHAZEE-UHFFFAOYSA-N	0	1	425.510	3.172	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000247879851	569206291	/nfs/dbraw/zinc/20/62/91/569206291.db2.gz	IKQQUMCOJXYOEM-UYAOXDASSA-N	0	1	448.567	3.421	40	0		IGABMN
O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705056	569233867	/nfs/dbraw/zinc/23/38/67/569233867.db2.gz	LVXBNQAZVLOPMG-MRXNPFEDSA-N	0	1	446.486	3.499	40	0		IGABMN
COc1ccc([C@@H](N)c2nnc(-c3ccc(I)cc3)[nH]2)cc1OC	ZINC000095533849	569374617	/nfs/dbraw/zinc/37/46/17/569374617.db2.gz	JIGNUILODRDWGA-OAHLLOKOSA-N	0	1	436.253	3.142	40	0		IGABMN
COc1ccc([C@H](N)c2nnc(-c3ccc(I)cc3)[nH]2)cc1OC	ZINC000095533848	569374664	/nfs/dbraw/zinc/37/46/64/569374664.db2.gz	JIGNUILODRDWGA-HNNXBMFYSA-N	0	1	436.253	3.142	40	0		IGABMN
COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000021117053	525113712	/nfs/dbraw/zinc/11/37/12/525113712.db2.gz	UQCVCDKRCWPACC-CQSZACIVSA-N	0	1	444.538	3.405	40	0		IGABMN
O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1	ZINC000035424583	526364331	/nfs/dbraw/zinc/36/43/31/526364331.db2.gz	FTWZGBSQBVVQDX-IBGZPJMESA-N	0	1	435.484	3.004	40	0	biogenic,in-vitro	IGABMN
O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1	ZINC000035424583	526364334	/nfs/dbraw/zinc/36/43/34/526364334.db2.gz	FTWZGBSQBVVQDX-IBGZPJMESA-N	0	1	435.484	3.004	40	0	biogenic,in-vitro	IGABMN
COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1	ZINC000014224249	556393846	/nfs/dbraw/zinc/39/38/46/556393846.db2.gz	KRWDVHGKUUQEFK-UHFFFAOYSA-N	0	1	432.523	3.438	40	0		IGABMN
C[C@@H](Cc1ccccn1)N(C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1	ZINC000012089134	556401755	/nfs/dbraw/zinc/40/17/55/556401755.db2.gz	XXEGXLBIZPKESF-ORYQWCPZSA-N	0	1	439.560	3.345	40	0		IGABMN
CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000038753712	556616746	/nfs/dbraw/zinc/61/67/46/556616746.db2.gz	ZARCBWZUFLWACN-GOSISDBHSA-N	0	1	426.498	3.382	40	0		IGABMN
CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1	ZINC000019086149	556699703	/nfs/dbraw/zinc/69/97/03/556699703.db2.gz	RVNGJTCQNWXKQS-CTNGQTDRSA-N	0	1	443.617	3.100	40	0		IGABMN
Cc1cc2nc3c(c(=O)n2[n-]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(Oc2ncccn2)cc1	ZINC000019130165	556704109	/nfs/dbraw/zinc/70/41/09/556704109.db2.gz	BZVOFOLHDNFRBB-ZWKOTPCHSA-N	0	1	428.496	3.457	40	0		IGABMN
COc1cc(CN2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1	ZINC000257265344	556712964	/nfs/dbraw/zinc/71/29/64/556712964.db2.gz	LYHMXRDDUUWUAQ-VWLOTQADSA-N	0	1	437.540	3.377	40	0		IGABMN
Cn1c2ccc(C[N@@H+]3CCC[C@H](c4cc(=O)[n-]c(-c5cccs5)n4)C3)cc2n(C)c1=O	ZINC000019289796	556729680	/nfs/dbraw/zinc/72/96/80/556729680.db2.gz	VCVGEAVBKNLKNE-INIZCTEOSA-N	0	1	435.553	3.068	40	0		IGABMN
Cn1c2ccc(C[N@H+]3CCC[C@H](c4cc(=O)[n-]c(-c5cccs5)n4)C3)cc2n(C)c1=O	ZINC000019289796	556729683	/nfs/dbraw/zinc/72/96/83/556729683.db2.gz	VCVGEAVBKNLKNE-INIZCTEOSA-N	0	1	435.553	3.068	40	0		IGABMN
O=C(c1ccc(CN2CCCC2)o1)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2	ZINC000019345891	556742614	/nfs/dbraw/zinc/74/26/14/556742614.db2.gz	MJRDCLSRTQHYSB-UHFFFAOYSA-N	0	1	428.920	3.317	40	0		IGABMN
O=C(Cc1ccsc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019406415	556755063	/nfs/dbraw/zinc/75/50/63/556755063.db2.gz	YZPGKWFDVDVWAD-QGZVFWFLSA-N	0	1	426.586	3.081	40	0		IGABMN
C[C@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2)n1cccn1	ZINC000019455303	556765627	/nfs/dbraw/zinc/76/56/27/556765627.db2.gz	JMGLWOXSCHZQKF-DYESRHJHSA-N	0	1	438.576	3.384	40	0		IGABMN
CCc1nn(C)c(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c1C	ZINC000019521056	556777837	/nfs/dbraw/zinc/77/78/37/556777837.db2.gz	HFYQQCBOWYZYFQ-UHFFFAOYSA-N	0	1	438.551	3.225	40	0		IGABMN
CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccc(OC)cc2F)CC1	ZINC000019523238	556780403	/nfs/dbraw/zinc/78/04/03/556780403.db2.gz	DEYRYHWRIOZOAC-UHFFFAOYSA-N	0	1	425.504	3.134	40	0		IGABMN
CCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O	ZINC000019527687	556787037	/nfs/dbraw/zinc/78/70/37/556787037.db2.gz	OFVFOXFOAHKUBN-IBGZPJMESA-N	0	1	432.524	3.249	40	0		IGABMN
COc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cc1OC(F)F	ZINC000019559777	556801496	/nfs/dbraw/zinc/80/14/96/556801496.db2.gz	OAVSPVINLXQPRV-UHFFFAOYSA-N	0	1	428.439	3.043	40	0		IGABMN
COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cc1OC(F)F	ZINC000019559777	556801500	/nfs/dbraw/zinc/80/15/00/556801500.db2.gz	OAVSPVINLXQPRV-UHFFFAOYSA-N	0	1	428.439	3.043	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1	ZINC000019570596	556810570	/nfs/dbraw/zinc/81/05/70/556810570.db2.gz	HUGXMROWVOQRKB-AZUAARDMSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1	ZINC000019570587	556810598	/nfs/dbraw/zinc/81/05/98/556810598.db2.gz	JXOSRRATCXOWGX-IBGZPJMESA-N	0	1	436.556	3.255	40	0		IGABMN
CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)CN2CCCC2)n1	ZINC000019585375	556822567	/nfs/dbraw/zinc/82/25/67/556822567.db2.gz	LMYVSMQYAGYIEJ-UHFFFAOYSA-N	0	1	430.556	3.229	40	0		IGABMN
Cc1nc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1	ZINC000019696086	556853072	/nfs/dbraw/zinc/85/30/72/556853072.db2.gz	WUOKTRVFKSDPAI-GOSISDBHSA-N	0	1	436.560	3.387	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCCN2Cc1ccccn1	ZINC000019706118	556864245	/nfs/dbraw/zinc/86/42/45/556864245.db2.gz	PSUIVOJJYVTUMM-QFIPXVFZSA-N	0	1	434.588	3.282	40	0		IGABMN
CN(C)c1cc(CN(C)C(=O)CCOc2ccc(Cl)cc2)nc([C@@H]2CCCCN2)n1	ZINC000019709853	556871464	/nfs/dbraw/zinc/87/14/64/556871464.db2.gz	BIEVYDYDJOZZQW-IBGZPJMESA-N	0	1	431.968	3.438	40	0		IGABMN
CC(C)c1ncc(CN2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1	ZINC000019761845	556905620	/nfs/dbraw/zinc/90/56/20/556905620.db2.gz	YYUNTDMFGZPESX-IBGZPJMESA-N	0	1	433.556	3.202	40	0		IGABMN
C=C1N=C(SCC(=O)OC)N[C@H](c2cccc(Br)c2)C1C(=O)OCC	ZINC000408990504	556911104	/nfs/dbraw/zinc/91/11/04/556911104.db2.gz	NKLABUKWYPNKGB-OAHLLOKOSA-N	0	1	427.320	3.193	40	0		IGABMN
CCCn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)cn1	ZINC000072344822	556915565	/nfs/dbraw/zinc/91/55/65/556915565.db2.gz	OIFXIIBLICWMMN-LJQANCHMSA-N	0	1	434.544	3.308	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(F)c3)CC2)o1	ZINC000072344906	556915790	/nfs/dbraw/zinc/91/57/90/556915790.db2.gz	RLCGZDNBJOTFHP-IBGZPJMESA-N	0	1	436.553	3.465	40	0		IGABMN
Nc1ncnc2nc([C@H]3CCCN(C(=O)[C@H](N)c4ccccc4)C3)cc(C(F)(F)F)c12	ZINC000072354389	556929911	/nfs/dbraw/zinc/92/99/11/556929911.db2.gz	DWNDYARYBDXDPS-SUMWQHHRSA-N	0	1	430.434	3.032	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O	ZINC000072371649	556939827	/nfs/dbraw/zinc/93/98/27/556939827.db2.gz	WGFRCBYIHCZMJV-HNNXBMFYSA-N	0	1	426.904	3.013	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cn1	ZINC000072371640	556939933	/nfs/dbraw/zinc/93/99/33/556939933.db2.gz	JANPPOGNFXWFCB-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1	ZINC000072373107	556945321	/nfs/dbraw/zinc/94/53/21/556945321.db2.gz	BJLGZTLZMLYDDH-GOTSBHOMSA-N	0	1	448.611	3.383	40	0		IGABMN
CNc1nc([C@@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CCNC2	ZINC000072376579	556955080	/nfs/dbraw/zinc/95/50/80/556955080.db2.gz	DJKXBSQSVGMBSU-QFIPXVFZSA-N	0	1	436.604	3.128	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CC(=O)N2CCc1ccccc1	ZINC000072380207	556958143	/nfs/dbraw/zinc/95/81/43/556958143.db2.gz	VGBWDSDYLVQDQU-HXUWFJFHSA-N	0	1	430.512	3.007	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[n-]n3c(=O)c2C1	ZINC000072389795	556959883	/nfs/dbraw/zinc/95/98/83/556959883.db2.gz	SLTUDYYLCDKHJX-UHFFFAOYSA-N	0	1	448.571	3.396	40	0		IGABMN
COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc(OC)c1OC	ZINC000072393213	556964607	/nfs/dbraw/zinc/96/46/07/556964607.db2.gz	WFKFXQUNPCHLOG-QGZVFWFLSA-N	0	1	436.512	3.237	40	0		IGABMN
COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc(OC)c1OC	ZINC000072393213	556964611	/nfs/dbraw/zinc/96/46/11/556964611.db2.gz	WFKFXQUNPCHLOG-QGZVFWFLSA-N	0	1	436.512	3.237	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)n1	ZINC000020034965	556969677	/nfs/dbraw/zinc/96/96/77/556969677.db2.gz	HGPJZMWWQBJYMQ-MRXNPFEDSA-N	0	1	426.498	3.300	40	0		IGABMN
COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1	ZINC000020106631	556982964	/nfs/dbraw/zinc/98/29/64/556982964.db2.gz	OKFOVMSMDBMRPU-OAHLLOKOSA-N	0	1	427.482	3.297	40	0		IGABMN
C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCN(C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1	ZINC000257227248	556983548	/nfs/dbraw/zinc/98/35/48/556983548.db2.gz	FOHOCAOJWPUAJL-TZWYQUCASA-N	0	1	436.600	3.451	40	0		IGABMN
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1	ZINC000020110430	556985021	/nfs/dbraw/zinc/98/50/21/556985021.db2.gz	SZMCDSYCSSCUEG-MRXNPFEDSA-N	0	1	426.498	3.300	40	0		IGABMN
CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(N(C)C)cc1)CC2	ZINC000585103740	557036408	/nfs/dbraw/zinc/03/64/08/557036408.db2.gz	IUVWEKACOFVCCB-DEOSSOPVSA-N	0	1	436.600	3.220	40	0		IGABMN
Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110213	557043439	/nfs/dbraw/zinc/04/34/39/557043439.db2.gz	XPRDSBVEBBUICZ-SFTDATJTSA-N	0	1	445.523	3.110	40	0		IGABMN
COc1ccc(N2C(=O)C(OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409275401	557043802	/nfs/dbraw/zinc/04/38/02/557043802.db2.gz	JEEKYQMYRVSOQI-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409275401	557043805	/nfs/dbraw/zinc/04/38/05/557043805.db2.gz	JEEKYQMYRVSOQI-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
Cc1ccc(N2C(=O)C(OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409279358	557045958	/nfs/dbraw/zinc/04/59/58/557045958.db2.gz	HJNLKDXAQQTPLA-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409279358	557045961	/nfs/dbraw/zinc/04/59/61/557045961.db2.gz	HJNLKDXAQQTPLA-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c1	ZINC000409411084	557104198	/nfs/dbraw/zinc/10/41/98/557104198.db2.gz	UEYNVGFBJXEDCC-UHFFFAOYSA-N	0	1	449.960	3.095	40	0		IGABMN
CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21	ZINC000096156642	557181353	/nfs/dbraw/zinc/18/13/53/557181353.db2.gz	MMGFOGYHCSIJJG-HSZRJFAPSA-N	0	1	440.551	3.148	40	0		IGABMN
Cc1cccnc1C[N@@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3	ZINC000100233881	557251397	/nfs/dbraw/zinc/25/13/97/557251397.db2.gz	QBTMBKXTNCOXMY-JOCHJYFZSA-N	0	1	448.571	3.406	40	0		IGABMN
Cc1cnccc1C[N@@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3	ZINC000100233852	557251455	/nfs/dbraw/zinc/25/14/55/557251455.db2.gz	RSPKSZFFNRGWBX-JOCHJYFZSA-N	0	1	448.571	3.406	40	0		IGABMN
CCOc1ccccc1C[N@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100243100	557254826	/nfs/dbraw/zinc/25/48/26/557254826.db2.gz	KJAOTZJXTDVROF-JOCHJYFZSA-N	0	1	449.555	3.465	40	0		IGABMN
COc1c(C)cccc1C[N@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100243141	557255281	/nfs/dbraw/zinc/25/52/81/557255281.db2.gz	RMHPYDJISQPTPP-JOCHJYFZSA-N	0	1	449.555	3.384	40	0		IGABMN
COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(OC)cc1Cl	ZINC000222982015	557411075	/nfs/dbraw/zinc/41/10/75/557411075.db2.gz	UEJXWLGHSRLDDK-UHFFFAOYSA-N	0	1	436.917	3.457	40	0		IGABMN
CCCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000222993176	557413379	/nfs/dbraw/zinc/41/33/79/557413379.db2.gz	BRUSLVGAJJJZRH-UHFFFAOYSA-N	0	1	440.591	3.223	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019499559	557499657	/nfs/dbraw/zinc/49/96/57/557499657.db2.gz	ACLDSYZLOSAKRV-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1	ZINC000019522967	557501512	/nfs/dbraw/zinc/50/15/12/557501512.db2.gz	GPDKPDGPRQLMQV-HSZRJFAPSA-N	0	1	449.603	3.309	40	0		IGABMN
COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000223789294	557513693	/nfs/dbraw/zinc/51/36/93/557513693.db2.gz	ZSZQNAPNGFRGFA-UHFFFAOYSA-N	0	1	432.498	3.188	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1)c1ccc(Cl)cc1	ZINC000225128785	557690570	/nfs/dbraw/zinc/69/05/70/557690570.db2.gz	CZJPANFMBZRYPH-UHFFFAOYSA-N	0	1	440.909	3.104	40	0		IGABMN
Cc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1	ZINC000225241125	557703942	/nfs/dbraw/zinc/70/39/42/557703942.db2.gz	OOGQTGVLEYNVDW-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1)c1ccccc1	ZINC000225278674	557708228	/nfs/dbraw/zinc/70/82/28/557708228.db2.gz	XCBIGOILCDCUDZ-UHFFFAOYSA-N	0	1	436.946	3.355	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1)c1ccc(Cl)cc1	ZINC000225344511	557712923	/nfs/dbraw/zinc/71/29/23/557712923.db2.gz	ALDPUCPQZMHYEB-UHFFFAOYSA-N	0	1	444.966	3.071	40	0		IGABMN
CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCc4ccccc4C3)cc2sc1=O	ZINC000225717795	557767892	/nfs/dbraw/zinc/76/78/92/557767892.db2.gz	IHRQOMUVVGMEGY-UHFFFAOYSA-N	0	1	445.610	3.371	40	0		IGABMN
COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1	ZINC000585270704	568617311	/nfs/dbraw/zinc/61/73/11/568617311.db2.gz	IDULBBIMZKWXJZ-VWLOTQADSA-N	0	1	437.540	3.377	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCCCC3)C2)cc1	ZINC000257218108	568673273	/nfs/dbraw/zinc/67/32/73/568673273.db2.gz	DBXOJQGGICLXMJ-QGZVFWFLSA-N	0	1	446.573	3.003	40	0		IGABMN
Cc1ncc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1	ZINC000257260186	568693217	/nfs/dbraw/zinc/69/32/17/568693217.db2.gz	LBRGLFOOHGBPHI-NRFANRHFSA-N	0	1	441.919	3.305	40	0		IGABMN
c1cn2cc(C[C@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)ncc2n1	ZINC000257261623	568693935	/nfs/dbraw/zinc/69/39/35/568693935.db2.gz	LIDGNIJELDCECE-OAQYLSRUSA-N	0	1	429.524	3.394	40	0		IGABMN
c1cn2cc(C[C@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)ncc2n1	ZINC000257261623	568693937	/nfs/dbraw/zinc/69/39/37/568693937.db2.gz	LIDGNIJELDCECE-OAQYLSRUSA-N	0	1	429.524	3.394	40	0		IGABMN
COc1ccc(C2(C(=O)N3CCCC[C@@H]3c3n[n-]cc3S(C)(=O)=O)CCCC2)cc1	ZINC000257263801	568694902	/nfs/dbraw/zinc/69/49/02/568694902.db2.gz	LRNCJFTZNQDNJN-GOSISDBHSA-N	0	1	431.558	3.387	40	0		IGABMN
Cn1c(COCC(=O)N2CCC[C@@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)nc2ccccc21	ZINC000257303323	568712765	/nfs/dbraw/zinc/71/27/65/568712765.db2.gz	SGSWVDMWTXTYCR-HXUWFJFHSA-N	0	1	448.502	3.302	40	0		IGABMN
Cn1c(COCC(=O)N2CCC[C@@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)nc2ccccc21	ZINC000257303323	568712767	/nfs/dbraw/zinc/71/27/67/568712767.db2.gz	SGSWVDMWTXTYCR-HXUWFJFHSA-N	0	1	448.502	3.302	40	0		IGABMN
CC(C)n1cnc([C@H]2CN(Cc3nccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1	ZINC000306142644	568772837	/nfs/dbraw/zinc/77/28/37/568772837.db2.gz	XFLOQYHMFOJVGT-AUSIDOKSSA-N	0	1	436.585	3.334	40	0		IGABMN
CN1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)c2nc(-c3ccccc3)ncc2C1=O	ZINC000306144143	568773622	/nfs/dbraw/zinc/77/36/22/568773622.db2.gz	YXIWECAFNNTJQO-UHFFFAOYSA-N	0	1	442.519	3.492	40	0		IGABMN
O[C@H](COc1c(F)cc(Br)cc1F)CN1CCN(Cc2ccccc2)CC1	ZINC000001462681	569211158	/nfs/dbraw/zinc/21/11/58/569211158.db2.gz	HLTGQAIZUALIRQ-KRWDZBQOSA-N	0	1	441.316	3.285	40	0		IGABMN
CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cnn(C)c2)C1	ZINC000019530085	569226843	/nfs/dbraw/zinc/22/68/43/569226843.db2.gz	IGHUZOYNVWEOHN-NFBKMPQASA-N	0	1	428.508	3.288	40	0		IGABMN
Cc1nc([C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)ncc1C(=O)Nc1ccccc1F	ZINC000019758000	569237409	/nfs/dbraw/zinc/23/74/09/569237409.db2.gz	DISZNFAKTHGLMY-GOSISDBHSA-N	0	1	439.535	3.224	40	0		IGABMN
CNc1cc(CN(C)C)nc([C@@H]2CCCN2C(=O)CCc2cc3c(cc2OC)CCC3)n1	ZINC000019759171	569237487	/nfs/dbraw/zinc/23/74/87/569237487.db2.gz	UDQMGQGBPQOXRK-NRFANRHFSA-N	0	1	437.588	3.374	40	0		IGABMN
CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000022508913	521925033	/nfs/dbraw/zinc/92/50/33/521925033.db2.gz	KEXJMZFEPJSIMN-HNNXBMFYSA-N	0	1	426.498	3.246	40	0		IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843153	526196348	/nfs/dbraw/zinc/19/63/48/526196348.db2.gz	OITGREQAXLVEJB-GBPOLFSSSA-N	0	1	439.874	3.219	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000034701063	555821363	/nfs/dbraw/zinc/82/13/63/555821363.db2.gz	QJSXYMDBXXURBE-ZUVQJFRASA-N	0	1	429.520	3.149	40	0		IGABMN
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc(NC(C)=O)c3)n[nH]2)cc1	ZINC000408637420	556020619	/nfs/dbraw/zinc/02/06/19/556020619.db2.gz	KDNCIERDHGUOCZ-UHFFFAOYSA-N	0	1	439.497	3.338	40	0		IGABMN
O=c1nc2[nH]cccc-2c(O)c1[C@H]1c2ccc(O)cc2Oc2c3cccnc3[nH]c(=O)c21	ZINC000016430852	556607446	/nfs/dbraw/zinc/60/74/46/556607446.db2.gz	ZNGRMDADZOPBMZ-OAHLLOKOSA-N	0	1	426.388	3.269	40	0		IGABMN
Cc1ccc(NC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]23)c(-c2nnc(C3CC3)[nH]2)c1	ZINC000040150969	556634016	/nfs/dbraw/zinc/63/40/16/556634016.db2.gz	IGUHXCBHWKFHMC-LMMKCTJWSA-N	0	1	440.573	3.322	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cc2ccccc2[nH]1	ZINC000257208702	556702029	/nfs/dbraw/zinc/70/20/29/556702029.db2.gz	BNIBLKXFBFBIJN-OHSXHVKISA-N	0	1	447.579	3.471	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1ccc(F)cc1F	ZINC000257317889	556703939	/nfs/dbraw/zinc/70/39/39/556703939.db2.gz	VLPHBHBXIOJSRW-SONWIMMPSA-N	0	1	444.522	3.268	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CC3CCCCC3)[n-]c(=O)c2C1	ZINC000019239487	556725007	/nfs/dbraw/zinc/72/50/07/556725007.db2.gz	SEGNFWYNDGBOGC-JOCHJYFZSA-N	0	1	435.572	3.389	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3CC3CCCCC3)[n-]c(=O)c2C1	ZINC000019239487	556725008	/nfs/dbraw/zinc/72/50/08/556725008.db2.gz	SEGNFWYNDGBOGC-JOCHJYFZSA-N	0	1	435.572	3.389	40	0		IGABMN
OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1Cc1ccc(F)cc1	ZINC000019334088	556737900	/nfs/dbraw/zinc/73/79/00/556737900.db2.gz	MOJHCVBBIUUXPT-JOCHJYFZSA-N	0	1	436.535	3.409	40	0		IGABMN
O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2	ZINC000019345587	556742563	/nfs/dbraw/zinc/74/25/63/556742563.db2.gz	QSPNGYMPRPVUAK-WOJBJXKFSA-N	0	1	429.488	3.371	40	0		IGABMN
CCCn1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)Cc3ccccc3)CC2)n1	ZINC000019526108	556783997	/nfs/dbraw/zinc/78/39/97/556783997.db2.gz	QPZNOJAYNAKGQC-UHFFFAOYSA-N	0	1	434.544	3.308	40	0		IGABMN
CCN(CC)c1ncc2c(cc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)[nH]c2=O)n1	ZINC000019526548	556784969	/nfs/dbraw/zinc/78/49/69/556784969.db2.gz	MICNEAOXFGOVDI-UHFFFAOYSA-N	0	1	440.592	3.015	40	0		IGABMN
COc1ccc(CN2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1	ZINC000019555248	556798353	/nfs/dbraw/zinc/79/83/53/556798353.db2.gz	NGKKMGPGQAYMMI-HSZRJFAPSA-N	0	1	448.571	3.278	40	0		IGABMN
COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)c1	ZINC000019565844	556806455	/nfs/dbraw/zinc/80/64/55/556806455.db2.gz	FAASRWSTSUMGGK-VWLOTQADSA-N	0	1	435.568	3.240	40	0		IGABMN
Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2	ZINC000019583533	556820883	/nfs/dbraw/zinc/82/08/83/556820883.db2.gz	VLSPEKIFYQMPLK-OAQYLSRUSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2	ZINC000019583533	556820885	/nfs/dbraw/zinc/82/08/85/556820885.db2.gz	VLSPEKIFYQMPLK-OAQYLSRUSA-N	0	1	438.576	3.282	40	0		IGABMN
CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCOc3ccc(C)cc3C)c2C1	ZINC000019711304	556875512	/nfs/dbraw/zinc/87/55/12/556875512.db2.gz	YFVMTGCXUWAXTB-HXUWFJFHSA-N	0	1	437.588	3.298	40	0		IGABMN
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019740778	556881747	/nfs/dbraw/zinc/88/17/47/556881747.db2.gz	BJVKGXVLYGCTJZ-OAQYLSRUSA-N	0	1	433.556	3.024	40	0		IGABMN
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000408917438	556888912	/nfs/dbraw/zinc/88/89/12/556888912.db2.gz	ULVPNQUWEVAGSM-CXUHLZMHSA-N	0	1	429.860	3.245	40	0		IGABMN
O=C(CC[C@H]1CCC(=O)N1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1	ZINC000019745060	556891718	/nfs/dbraw/zinc/89/17/18/556891718.db2.gz	BVYBCDKRRISVAW-LJQANCHMSA-N	0	1	446.555	3.335	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)NCc1ccc(F)cc1	ZINC000019764394	556909010	/nfs/dbraw/zinc/90/90/10/556909010.db2.gz	PGEUTLWLMAOTIT-NRFANRHFSA-N	0	1	439.535	3.004	40	0		IGABMN
COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)CN4Cc5ccccc5C4)C3)n[nH]2)cc1	ZINC000072371503	556938976	/nfs/dbraw/zinc/93/89/76/556938976.db2.gz	GUXNSIDVMBOJLU-OAQYLSRUSA-N	0	1	446.551	3.372	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)n2)C1	ZINC000072375033	556950542	/nfs/dbraw/zinc/95/05/42/556950542.db2.gz	RMHJNTQHLMDELT-MRXNPFEDSA-N	0	1	428.518	3.097	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)cc(C)n2)C1	ZINC000072375031	556950608	/nfs/dbraw/zinc/95/06/08/556950608.db2.gz	QZLRGHSBBGNFRD-MRXNPFEDSA-N	0	1	428.518	3.097	40	0		IGABMN
COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000020048923	556974372	/nfs/dbraw/zinc/97/43/72/556974372.db2.gz	IANHTDIDFAQQCJ-UHFFFAOYSA-N	0	1	444.538	3.158	40	0		IGABMN
CN1Cc2cccc(-c3cnc4n3CCN(C(=O)CCOc3ccc(F)cc3)CC4)c2C1	ZINC000585111175	557045811	/nfs/dbraw/zinc/04/58/11/557045811.db2.gz	HQNVIBQAYMSSAV-UHFFFAOYSA-N	0	1	434.515	3.488	40	0		IGABMN
COCCN1CC2(CCN(Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037173	557164244	/nfs/dbraw/zinc/16/42/44/557164244.db2.gz	KLVSOSNOHMPAQR-UHFFFAOYSA-N	0	1	436.599	3.060	40	0		IGABMN
COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)cc1OC	ZINC000013994257	557400980	/nfs/dbraw/zinc/40/09/80/557400980.db2.gz	ABFDCBGVRKDYKQ-LJQANCHMSA-N	0	1	425.529	3.075	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1	ZINC000019499601	557499722	/nfs/dbraw/zinc/49/97/22/557499722.db2.gz	NMXBNCNXVPJUSG-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1	ZINC000257210798	568669994	/nfs/dbraw/zinc/66/99/94/568669994.db2.gz	BWFRAVJQVPQECB-HSZRJFAPSA-N	0	1	446.555	3.169	40	0		IGABMN
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@H]1Oc1ccccc1	ZINC000257256450	568691542	/nfs/dbraw/zinc/69/15/42/568691542.db2.gz	KLNRVWVOSWVTDP-REWPJTCUSA-N	0	1	432.524	3.368	40	0		IGABMN
Cc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257259150	568692719	/nfs/dbraw/zinc/69/27/19/568692719.db2.gz	KXBWPBTYGSOGHB-HXUWFJFHSA-N	0	1	426.536	3.013	40	0		IGABMN
COc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccn4)n3)CC1)OCCO2	ZINC000257277825	568701208	/nfs/dbraw/zinc/70/12/08/568701208.db2.gz	NZOSHZCAORCWCQ-UHFFFAOYSA-N	0	1	434.500	3.170	40	0		IGABMN
CCn1ccc(C(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1	ZINC000257290746	568707101	/nfs/dbraw/zinc/70/71/01/568707101.db2.gz	QEDLHBMFGUWDMI-FQEVSTJZSA-N	0	1	429.908	3.115	40	0		IGABMN
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1Oc1ccccc1	ZINC000257297431	568710181	/nfs/dbraw/zinc/71/01/81/568710181.db2.gz	RHFOSGBHBZXDSA-ZCYQVOJMSA-N	0	1	449.595	3.427	40	0		IGABMN
Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(Cc4ccc5c(c4)CCO5)C3)O2)cc1	ZINC000306134653	568768804	/nfs/dbraw/zinc/76/88/04/568768804.db2.gz	NUMOBBOYWOKWBD-BVAGGSTKSA-N	0	1	436.552	3.110	40	0		IGABMN
CC(C)n1cnc([C@@H]2CN(Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1	ZINC000306142645	568772850	/nfs/dbraw/zinc/77/28/50/568772850.db2.gz	XFLOQYHMFOJVGT-CVDCTZTESA-N	0	1	436.585	3.334	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1	ZINC000019499534	568876063	/nfs/dbraw/zinc/87/60/63/568876063.db2.gz	BVWDUWPHHXZSOI-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1nc(C)c(C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)s1	ZINC000019705052	569233852	/nfs/dbraw/zinc/23/38/52/569233852.db2.gz	JFONTOPDNZXODZ-CQSZACIVSA-N	0	1	426.546	3.252	40	0		IGABMN
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020495744	522874381	/nfs/dbraw/zinc/87/43/81/522874381.db2.gz	WCEMTPCLWKHOCL-SFHVURJKSA-N	0	1	430.461	3.213	40	0		IGABMN
Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000022522104	524169512	/nfs/dbraw/zinc/16/95/12/524169512.db2.gz	ZGWZMWMXLGKGMN-UHFFFAOYSA-N	0	1	426.498	3.220	40	0		IGABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)n1	ZINC000022521456	524591142	/nfs/dbraw/zinc/59/11/42/524591142.db2.gz	RQVPWLJWRKSGJZ-UHFFFAOYSA-N	0	1	446.554	3.145	40	0		IGABMN
Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	ZINC000022525690	524639769	/nfs/dbraw/zinc/63/97/69/524639769.db2.gz	GBBSGESGMLLMLU-UHFFFAOYSA-N	0	1	446.554	3.145	40	0		IGABMN
COc1ccc(OC)c(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1	ZINC000012328070	524824733	/nfs/dbraw/zinc/82/47/33/524824733.db2.gz	PZWUKXRTRPZNTP-UHFFFAOYSA-N	0	1	441.553	3.016	40	0		IGABMN
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020456611	525959314	/nfs/dbraw/zinc/95/93/14/525959314.db2.gz	KKLMGQFXWCGMHI-CYBMUJFWSA-N	0	1	432.889	3.337	40	0		IGABMN
COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1	ZINC000020456084	526238092	/nfs/dbraw/zinc/23/80/92/526238092.db2.gz	VCUBUBLUNWHPHE-HNNXBMFYSA-N	0	1	427.482	3.297	40	0		IGABMN
O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1CC(c1ccccc1)c1ccccc1	ZINC000012375977	527019393	/nfs/dbraw/zinc/01/93/93/527019393.db2.gz	JVESHZXYSZWELV-JOCHJYFZSA-N	0	1	428.488	3.465	40	0		IGABMN
O=C1c2ccccc2C(=O)N1CSc1nc(-c2cc(Br)ccc2O)n[nH]1	ZINC000408543449	555790762	/nfs/dbraw/zinc/79/07/62/555790762.db2.gz	PECPNWUFHGGEFD-UHFFFAOYSA-N	0	1	431.271	3.286	40	0		IGABMN
Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(C)c1	ZINC000013948213	556343739	/nfs/dbraw/zinc/34/37/39/556343739.db2.gz	JQCXPVKDQCSYNU-UHFFFAOYSA-N	0	1	446.554	3.312	40	0		IGABMN
CC(C)(C)c1cc2nc(C3CCN(Cc4ccnc(N5CCCC5)n4)CC3)cc(N)n2n1	ZINC000012154669	556402750	/nfs/dbraw/zinc/40/27/50/556402750.db2.gz	OPPOITZHYBMIMM-UHFFFAOYSA-N	0	1	434.592	3.379	40	0		IGABMN
O=c1nc2[nH]cccc-2c(O)c1[C@@H]1c2ccc(O)cc2Oc2c3cccnc3[nH]c(=O)c21	ZINC000016430849	556607559	/nfs/dbraw/zinc/60/75/59/556607559.db2.gz	ZNGRMDADZOPBMZ-HNNXBMFYSA-N	0	1	426.388	3.269	40	0		IGABMN
O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(I)cc1	ZINC000071834812	556609176	/nfs/dbraw/zinc/60/91/76/556609176.db2.gz	ITOWHFNRIWBQTL-UHFFFAOYSA-N	0	1	437.266	3.202	40	0		IGABMN
O=c1c2c(ccn1-c1nnc(C3CCCCC3)[nH]1)nc1ncnn1c2-c1ccc(F)cc1	ZINC000040398335	556640050	/nfs/dbraw/zinc/64/00/50/556640050.db2.gz	DOOLQGYBKMOWEQ-UHFFFAOYSA-N	0	1	430.447	3.400	40	0		IGABMN
O=c1c2c(ccn1-c1n[nH]c(C3CCCCC3)n1)nc1ncnn1c2-c1ccc(F)cc1	ZINC000040398335	556640052	/nfs/dbraw/zinc/64/00/52/556640052.db2.gz	DOOLQGYBKMOWEQ-UHFFFAOYSA-N	0	1	430.447	3.400	40	0		IGABMN
CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1	ZINC000257302214	556717526	/nfs/dbraw/zinc/71/75/26/556717526.db2.gz	SBZDGXCDYXJMNP-VWLOTQADSA-N	0	1	430.552	3.093	40	0		IGABMN
O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343599	556741531	/nfs/dbraw/zinc/74/15/31/556741531.db2.gz	DQOYQWZNYMWPOF-ZWKOTPCHSA-N	0	1	438.597	3.452	40	0		IGABMN
O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019370649	556747802	/nfs/dbraw/zinc/74/78/02/556747802.db2.gz	AWJYYSSSFYLBKL-HXUWFJFHSA-N	0	1	434.584	3.409	40	0		IGABMN
O=C(CCc1cccnc1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1	ZINC000019375333	556751340	/nfs/dbraw/zinc/75/13/40/556751340.db2.gz	OQDMTHBMTMDLCQ-UHFFFAOYSA-N	0	1	443.551	3.342	40	0		IGABMN
O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019401213	556753550	/nfs/dbraw/zinc/75/35/50/556753550.db2.gz	VAYHYYXWHDCFJF-QFIPXVFZSA-N	0	1	435.572	3.010	40	0		IGABMN
O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019401213	556753553	/nfs/dbraw/zinc/75/35/53/556753553.db2.gz	VAYHYYXWHDCFJF-QFIPXVFZSA-N	0	1	435.572	3.010	40	0		IGABMN
O=C(Cc1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019401222	556753948	/nfs/dbraw/zinc/75/39/48/556753948.db2.gz	XJIJUHNPFOIZEC-HSZRJFAPSA-N	0	1	449.599	3.400	40	0		IGABMN
O=C(Cc1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019401222	556753951	/nfs/dbraw/zinc/75/39/51/556753951.db2.gz	XJIJUHNPFOIZEC-HSZRJFAPSA-N	0	1	449.599	3.400	40	0		IGABMN
CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019447259	556756211	/nfs/dbraw/zinc/75/62/11/556756211.db2.gz	RZLNRGZIZAXPSD-RUZDIDTESA-N	0	1	431.540	3.319	40	0		IGABMN
COc1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)cn1	ZINC000019561830	556803347	/nfs/dbraw/zinc/80/33/47/556803347.db2.gz	COTCPJHEEWVFNL-UHFFFAOYSA-N	0	1	445.523	3.032	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@@H]2O	ZINC000019563059	556804063	/nfs/dbraw/zinc/80/40/63/556804063.db2.gz	WDRBPAHSIAGERI-SFTDATJTSA-N	0	1	441.524	3.241	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1	ZINC000019570578	556810840	/nfs/dbraw/zinc/81/08/40/556810840.db2.gz	YOPAFSIOMFULCR-AZUAARDMSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1	ZINC000019570581	556810896	/nfs/dbraw/zinc/81/08/96/556810896.db2.gz	YOPAFSIOMFULCR-ICSRJNTNSA-N	0	1	448.567	3.421	40	0		IGABMN
Cc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1	ZINC000019580169	556818234	/nfs/dbraw/zinc/81/82/34/556818234.db2.gz	NCKIOAPCQITNFO-UHFFFAOYSA-N	0	1	425.529	3.340	40	0		IGABMN
COCCN1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1	ZINC000019593387	556829854	/nfs/dbraw/zinc/82/98/54/556829854.db2.gz	GBSKZWCFBODMNI-XMMPIXPASA-N	0	1	438.568	3.319	40	0		IGABMN
COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(C(=O)CN(C)C)C4)nc32)cc1	ZINC000019706542	556864751	/nfs/dbraw/zinc/86/47/51/556864751.db2.gz	JAVXCLQMGYKTFW-FQEVSTJZSA-N	0	1	437.588	3.014	40	0		IGABMN
CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCOc3ccc(C)cc3C)c2C1	ZINC000019711305	556875449	/nfs/dbraw/zinc/87/54/49/556875449.db2.gz	YFVMTGCXUWAXTB-FQEVSTJZSA-N	0	1	437.588	3.298	40	0		IGABMN
COc1ccc(CCNc2nc([C@H]3CCCN(C)C3)nc3c2CN(C(C)=O)CC3)cc1C	ZINC000019711314	556875538	/nfs/dbraw/zinc/87/55/38/556875538.db2.gz	YMVTYAIPOBJJOD-FQEVSTJZSA-N	0	1	437.588	3.162	40	0		IGABMN
COc1ccc(CCCNc2nc([C@@H]3CCCN(C)C3)nc3c2CN(C(C)=O)CC3)cc1	ZINC000019711331	556875702	/nfs/dbraw/zinc/87/57/02/556875702.db2.gz	VMKLGKBETQHVAP-HXUWFJFHSA-N	0	1	437.588	3.244	40	0		IGABMN
COc1ccc(CCCNc2nc([C@H]3CCCN(C)C3)nc3c2CN(C(C)=O)CC3)cc1	ZINC000019711332	556875813	/nfs/dbraw/zinc/87/58/13/556875813.db2.gz	VMKLGKBETQHVAP-FQEVSTJZSA-N	0	1	437.588	3.244	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019740994	556882238	/nfs/dbraw/zinc/88/22/38/556882238.db2.gz	MRDDZZCXXHKHDS-QFIPXVFZSA-N	0	1	447.583	3.414	40	0		IGABMN
CC(C)CNC(=O)c1cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc21	ZINC000019761382	556904754	/nfs/dbraw/zinc/90/47/54/556904754.db2.gz	KMYAXFDTRIEENV-IBGZPJMESA-N	0	1	432.572	3.466	40	0		IGABMN
C=C1N=C(SCC(=O)Nc2nnc(CC)s2)N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000408986671	556909663	/nfs/dbraw/zinc/90/96/63/556909663.db2.gz	CUAKXYXEYQTESX-QGZVFWFLSA-N	0	1	445.570	3.310	40	0		IGABMN
CCc1cc(N2CCOCC2)nc(C2CCN(Cc3cc(OC)cc(OC)c3)CC2)n1	ZINC000072337258	556910228	/nfs/dbraw/zinc/91/02/28/556910228.db2.gz	IJAQSUSTEWAIGL-UHFFFAOYSA-N	0	1	426.561	3.272	40	0		IGABMN
Nc1ncnc2nc([C@@H]3CCCN(C(=O)[C@H](N)c4ccccc4)C3)cc(C(F)(F)F)c12	ZINC000072354391	556929940	/nfs/dbraw/zinc/92/99/40/556929940.db2.gz	DWNDYARYBDXDPS-CXAGYDPISA-N	0	1	430.434	3.032	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)n1	ZINC000020034969	556969644	/nfs/dbraw/zinc/96/96/44/556969644.db2.gz	HGPJZMWWQBJYMQ-INIZCTEOSA-N	0	1	426.498	3.300	40	0		IGABMN
CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1	ZINC000257295010	556999935	/nfs/dbraw/zinc/99/99/35/556999935.db2.gz	QWPHMSAXUAZNNC-YLJYHZDGSA-N	0	1	436.560	3.090	40	0		IGABMN
CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1	ZINC000257295010	556999938	/nfs/dbraw/zinc/99/99/38/556999938.db2.gz	QWPHMSAXUAZNNC-YLJYHZDGSA-N	0	1	436.560	3.090	40	0		IGABMN
Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN(C)Cc3cccnc3)C2)CC1	ZINC000585103421	557037121	/nfs/dbraw/zinc/03/71/21/557037121.db2.gz	GKNSBYWXHUGOPM-NRFANRHFSA-N	0	1	429.586	3.082	40	0		IGABMN
CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C	ZINC000585168846	557131071	/nfs/dbraw/zinc/13/10/71/557131071.db2.gz	CRKBZHOVNYERME-CYBMUJFWSA-N	0	1	426.443	3.011	40	0		IGABMN
O=S1(=O)c2ccccc2OCC2(CCN(Cc3cccnc3)CC2)CN1CC1CC1	ZINC000096145197	557174464	/nfs/dbraw/zinc/17/44/64/557174464.db2.gz	BCIRSCFXLAPDBE-UHFFFAOYSA-N	0	1	427.570	3.157	40	0		IGABMN
O=C([O-])COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2	ZINC000585262349	557201980	/nfs/dbraw/zinc/20/19/80/557201980.db2.gz	UKLUODIQMQTDIE-YADARESESA-N	0	1	426.488	3.318	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4Cc4cccc(F)c4)cc3nc2C1	ZINC000100234350	557252877	/nfs/dbraw/zinc/25/28/77/557252877.db2.gz	NMMBJIVXMIJTCC-OAQYLSRUSA-N	0	1	437.519	3.452	40	0		IGABMN
CCC(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4CCCc4ccccc4)cc3nc2C1	ZINC000100234402	557252887	/nfs/dbraw/zinc/25/28/87/557252887.db2.gz	CHDKRGYAIYLYNX-QFIPXVFZSA-N	0	1	433.556	3.499	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234326	557253008	/nfs/dbraw/zinc/25/30/08/557253008.db2.gz	GVYHKJMTUSQYBO-NRFANRHFSA-N	0	1	437.519	3.452	40	0		IGABMN
CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1	ZINC000100243112	557255475	/nfs/dbraw/zinc/25/54/75/557255475.db2.gz	MLPTWJXAEXKJTA-QHCPKHFHSA-N	0	1	449.555	3.465	40	0		IGABMN
CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cc3n[nH]c(C(C)C)n3)CC2)nc2ccccc21	ZINC000100658031	557268203	/nfs/dbraw/zinc/26/82/03/557268203.db2.gz	ZMBXVWKRABMECX-CALCHBBNSA-N	0	1	448.571	3.469	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)CCc3ccccc3)s2)c1	ZINC000222635971	557366468	/nfs/dbraw/zinc/36/64/68/557366468.db2.gz	YROUCAAWADSYKV-OAHLLOKOSA-N	0	1	430.555	3.398	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)s2)c1	ZINC000224059169	557553068	/nfs/dbraw/zinc/55/30/68/557553068.db2.gz	WBPHUINWYUAXML-UHFFFAOYSA-N	0	1	432.571	3.346	40	0		IGABMN
Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000224501184	557613337	/nfs/dbraw/zinc/61/33/37/557613337.db2.gz	KMEGTPPWFJBAIR-UHFFFAOYSA-N	0	1	448.595	3.478	40	0		IGABMN
CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)c(C)n1	ZINC000257210155	568669727	/nfs/dbraw/zinc/66/97/27/568669727.db2.gz	BTKUVZFSHKBYRE-MRXNPFEDSA-N	0	1	444.536	3.371	40	0		IGABMN
O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccc1F)C[C@H]2c1cccnc1	ZINC000306129698	568765889	/nfs/dbraw/zinc/76/58/89/568765889.db2.gz	IKJLMXRKKDDTFB-DHLKQENFSA-N	0	1	432.499	3.013	40	0		IGABMN
Cc1ccc(CNC(=O)[C@H]2CCc3nnc(C4CCN(Cc5cccnc5)CC4)n3C2)cc1	ZINC000306133420	568767867	/nfs/dbraw/zinc/76/78/67/568767867.db2.gz	MKROQYIJBCEBKN-QHCPKHFHSA-N	0	1	444.583	3.240	40	0		IGABMN
COc1ccc(CN2CCO[C@@]3(CN(Cc4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1	ZINC000306136623	568769442	/nfs/dbraw/zinc/76/94/42/568769442.db2.gz	PYSHDTWZUCEROF-ILBGXUMGSA-N	0	1	433.508	3.080	40	0		IGABMN
O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019014642	569226134	/nfs/dbraw/zinc/22/61/34/569226134.db2.gz	BDBTVIJBCFUENB-WIYYLYMNSA-N	0	1	428.577	3.496	40	0		IGABMN
COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1	ZINC000019702449	569232060	/nfs/dbraw/zinc/23/20/60/569232060.db2.gz	YTAPQWWMGVIVOJ-INIZCTEOSA-N	0	1	439.585	3.123	40	0		IGABMN
CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cc3ccc(OC)cc3n1C)C2	ZINC000019708805	569234624	/nfs/dbraw/zinc/23/46/24/569234624.db2.gz	OYPQXCLQEHXHOL-KRWDZBQOSA-N	0	1	448.571	3.026	40	0		IGABMN
COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c(OC)c1	ZINC000026114584	569242319	/nfs/dbraw/zinc/24/23/19/569242319.db2.gz	KOLHZJVPRMOWGR-UHFFFAOYSA-N	0	1	436.555	3.463	40	0		IGABMN
CN1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Br)c2)CC1	ZINC000108104671	569252309	/nfs/dbraw/zinc/25/23/09/569252309.db2.gz	GOXABPSJDLQEAB-UHFFFAOYSA-N	0	1	433.375	3.328	40	0		IGABMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009332853	569295737	/nfs/dbraw/zinc/29/57/37/569295737.db2.gz	ATPCUYQGOXKMIT-XNGFIGEISA-N	0	1	442.302	3.425	40	0		IGABMN
CCOc1ccc([C@@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OCC	ZINC000095534517	569374644	/nfs/dbraw/zinc/37/46/44/569374644.db2.gz	SFHKYYPWWFOVRX-LJQANCHMSA-N	0	1	428.489	3.343	40	0		IGABMN
Cc1nnc(Nc2cc([C@H]3CCCN3C(=O)/C=C/c3csc(C)n3)nc(C)n2)s1	ZINC000585291490	569585014	/nfs/dbraw/zinc/58/50/14/569585014.db2.gz	QTNWCTZXIVJLPU-FYCOFBDGSA-N	0	1	427.559	3.830	40	0		IGABMN
CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccccc4C)n3)ccn2)CC1	ZINC000049155011	291352575	/nfs/dbraw/zinc/35/25/75/291352575.db2.gz	YZEGBVNTCGMZDW-QFIPXVFZSA-N	0	1	446.555	3.446	40	0	biogenic,in-vitro	IGABMN
Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccccc3N3CCN(C)CC3)cc12	ZINC000013992499	132355729	/nfs/dbraw/zinc/35/57/29/132355729.db2.gz	VYFPHCQTEYMSOC-UHFFFAOYSA-N	0	1	428.540	3.386	40	0		IGABMN
COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCN(C(C)C)CC1	ZINC000012187105	524776230	/nfs/dbraw/zinc/77/62/30/524776230.db2.gz	UKWZPXMRCGIEPN-KRWDZBQOSA-N	0	1	434.540	3.163	40	0		IGABMN
COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c(OC)c1	ZINC000408693063	556093118	/nfs/dbraw/zinc/09/31/18/556093118.db2.gz	DZBFLADQTLMTSC-UHFFFAOYSA-N	0	1	434.514	3.139	40	0		IGABMN
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000044847569	556669973	/nfs/dbraw/zinc/66/99/73/556669973.db2.gz	VJQMDXXAULPROW-HNNXBMFYSA-N	0	1	442.497	3.000	40	0		IGABMN
Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)on1	ZINC000019124125	556702585	/nfs/dbraw/zinc/70/25/85/556702585.db2.gz	HNLLVVNCPKSPCI-IBGZPJMESA-N	0	1	436.560	3.439	40	0		IGABMN
O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1	ZINC000019292158	556732225	/nfs/dbraw/zinc/73/22/25/556732225.db2.gz	VVWKQFSZXHIKHM-QGZVFWFLSA-N	0	1	435.572	3.265	40	0		IGABMN
O=C(Cc1ccccc1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3	ZINC000019370206	556747384	/nfs/dbraw/zinc/74/73/84/556747384.db2.gz	BKYIJKYGFVRANQ-HSZRJFAPSA-N	0	1	445.567	3.499	40	0		IGABMN
O=c1oc(-c2cccs2)nn1CC1(O)CCN(Cc2ccccc2OC(F)F)CC1	ZINC000057773361	556748883	/nfs/dbraw/zinc/74/88/83/556748883.db2.gz	LVSGZDBQDQTZGD-UHFFFAOYSA-N	0	1	437.468	3.193	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4ccccc4)[n-]n3c(=O)c2C1	ZINC000019448055	556756975	/nfs/dbraw/zinc/75/69/75/556756975.db2.gz	VLLDXAOYXZTJGR-JOCHJYFZSA-N	0	1	433.556	3.498	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccc5F)CC4)[n-]n3c(=O)c2C1	ZINC000019448151	556757380	/nfs/dbraw/zinc/75/73/80/556757380.db2.gz	YOTNXAUMZCGDLP-UHFFFAOYSA-N	0	1	437.519	3.360	40	0		IGABMN
CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1C	ZINC000019520950	556777688	/nfs/dbraw/zinc/77/76/88/556777688.db2.gz	JLAILPBPYVVNRG-FQEVSTJZSA-N	0	1	438.576	3.444	40	0		IGABMN
CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cn1	ZINC000019526086	556783750	/nfs/dbraw/zinc/78/37/50/556783750.db2.gz	ZQJHMCNQWVEMTO-OAQYLSRUSA-N	0	1	438.576	3.457	40	0		IGABMN
CCN(CC)c1ncc2c(cc(C3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)[nH]c2=O)n1	ZINC000019526551	556784931	/nfs/dbraw/zinc/78/49/31/556784931.db2.gz	DAVBPRBEKJCOSH-KRWDZBQOSA-N	0	1	440.592	3.157	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@H]2O	ZINC000019563057	556804135	/nfs/dbraw/zinc/80/41/35/556804135.db2.gz	WDRBPAHSIAGERI-NHCUHLMSSA-N	0	1	441.524	3.241	40	0		IGABMN
COc1cccc(CN2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1	ZINC000019565183	556805851	/nfs/dbraw/zinc/80/58/51/556805851.db2.gz	MWTBWQHPYRDJKI-QHCPKHFHSA-N	0	1	448.571	3.278	40	0		IGABMN
Cc1nc([C@@H]2CCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2CCCc1ccccc1	ZINC000019695974	556853026	/nfs/dbraw/zinc/85/30/26/556853026.db2.gz	CPYQTPYWVAJIIL-NRFANRHFSA-N	0	1	444.539	3.397	40	0		IGABMN
CCN(CC)C(=O)CN1CCC([C@H]2CC=CCN(Cc3cccc(OC)c3)C2=O)CC1	ZINC000019698362	556856441	/nfs/dbraw/zinc/85/64/41/556856441.db2.gz	DTICMMIRFPVNTN-HSZRJFAPSA-N	0	1	427.589	3.180	40	0		IGABMN
CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2	ZINC000019710310	556872502	/nfs/dbraw/zinc/87/25/02/556872502.db2.gz	FOYKCWVZBQBYAT-INIZCTEOSA-N	0	1	425.552	3.329	40	0		IGABMN
CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCc3ccccc3N3CCCC3)c2C1	ZINC000019711319	556875562	/nfs/dbraw/zinc/87/55/62/556875562.db2.gz	OVSDXFLIZTVOCQ-OAQYLSRUSA-N	0	1	448.615	3.403	40	0		IGABMN
Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1	ZINC000019740632	556881229	/nfs/dbraw/zinc/88/12/29/556881229.db2.gz	VNTQJSYWQOPLBY-NRFANRHFSA-N	0	1	439.604	3.404	40	0		IGABMN
CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)CN3CCCC3=O)cc(C(F)(F)F)c21	ZINC000019742368	556886169	/nfs/dbraw/zinc/88/61/69/556886169.db2.gz	NIFOKENBBSCEIV-AWEZNQCLSA-N	0	1	438.454	3.083	40	0		IGABMN
Nc1[nH]nc2nc([C@@H]3CCCN3S(=O)(=O)Cc3ccccc3)cc(C(F)(F)F)c12	ZINC000019742557	556886492	/nfs/dbraw/zinc/88/64/92/556886492.db2.gz	KLTFFYMQZFXGFD-AWEZNQCLSA-N	0	1	425.436	3.226	40	0		IGABMN
COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12	ZINC000019742881	556886744	/nfs/dbraw/zinc/88/67/44/556886744.db2.gz	FTQGWAOUGWSCAL-LJQANCHMSA-N	0	1	448.571	3.380	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(Cc4ccncc4)C3)nc2C)c1	ZINC000019753305	556897121	/nfs/dbraw/zinc/89/71/21/556897121.db2.gz	JYQKCXIRCRZWAZ-OAQYLSRUSA-N	0	1	431.540	3.498	40	0		IGABMN
O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(I)c2)N1	ZINC000409047209	556931577	/nfs/dbraw/zinc/93/15/77/556931577.db2.gz	NSWHNNOUGMOJDD-RIYZIHGNSA-N	0	1	438.196	3.190	40	0		IGABMN
Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)n1	ZINC000072374972	556949635	/nfs/dbraw/zinc/94/96/35/556949635.db2.gz	OGTVYEDIMNPVKX-IBGZPJMESA-N	0	1	432.528	3.108	40	0		IGABMN
COc1ccccc1N1C(=O)C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409287374	557051050	/nfs/dbraw/zinc/05/10/50/557051050.db2.gz	UOKYTFLQGNSLMY-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000409287374	557051053	/nfs/dbraw/zinc/05/10/53/557051053.db2.gz	UOKYTFLQGNSLMY-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
O=C(NCCCN1CCN(CCCNC(=O)Nc2ccccc2)CC1)Nc1ccccc1	ZINC000023469432	557093265	/nfs/dbraw/zinc/09/32/65/557093265.db2.gz	OCKWUABKWFSMQZ-UHFFFAOYSA-N	0	1	438.576	3.028	40	0		IGABMN
CN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1	ZINC000006288078	557150655	/nfs/dbraw/zinc/15/06/55/557150655.db2.gz	UPPFZLPPVVFROU-UHFFFAOYSA-N	0	1	433.375	3.328	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1	ZINC000021596019	557155968	/nfs/dbraw/zinc/15/59/68/557155968.db2.gz	YZQARTLQNSEQBJ-UHFFFAOYSA-N	0	1	431.920	3.204	40	0		IGABMN
COc1ccccc1CNC(=O)CN1CCC[C@](O)(COc2ccc(C)cc2C)CC1	ZINC000585274088	557218420	/nfs/dbraw/zinc/21/84/20/557218420.db2.gz	RAORFBYDNYGNBC-RUZDIDTESA-N	0	1	426.557	3.224	40	0		IGABMN
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br	ZINC000098071760	557232984	/nfs/dbraw/zinc/23/29/84/557232984.db2.gz	VVRNLXBMRNFAAL-UHFFFAOYSA-N	0	1	440.363	3.010	40	0		IGABMN
O=C(c1ccc(C(F)(F)F)cc1)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12	ZINC000604381866	557236511	/nfs/dbraw/zinc/23/65/11/557236511.db2.gz	SAYWMEBMOMTVTL-OAQYLSRUSA-N	0	1	445.485	3.117	40	0	biogenic,in-vitro	IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)CC1	ZINC000100238856	557254252	/nfs/dbraw/zinc/25/42/52/557254252.db2.gz	RALVANCGTIJBAH-CMKODMSKSA-N	0	1	442.604	3.394	40	0		IGABMN
CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21	ZINC000107189339	557335921	/nfs/dbraw/zinc/33/59/21/557335921.db2.gz	MMGFOGYHCSIJJG-QHCPKHFHSA-N	0	1	440.551	3.148	40	0		IGABMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033726326	557353892	/nfs/dbraw/zinc/35/38/92/557353892.db2.gz	ZNIAEOAOTYSHDY-FVJVTNMWSA-N	0	1	435.911	3.388	40	0		IGABMN
CC(C)Oc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1	ZINC000223526926	557482424	/nfs/dbraw/zinc/48/24/24/557482424.db2.gz	AHAZAIDAFNGZEC-UHFFFAOYSA-N	0	1	440.591	3.221	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1	ZINC000019499602	557499639	/nfs/dbraw/zinc/49/96/39/557499639.db2.gz	NMXBNCNXVPJUSG-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1	ZINC000019527977	557501875	/nfs/dbraw/zinc/50/18/75/557501875.db2.gz	DJLNQQWRPAYSMC-JOCHJYFZSA-N	0	1	435.576	3.055	40	0		IGABMN
Cc1ccccc1CSCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000224126673	557564486	/nfs/dbraw/zinc/56/44/86/557564486.db2.gz	WZLJAVNVXYMLCG-UHFFFAOYSA-N	0	1	428.605	3.043	40	0		IGABMN
CSc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1NC(C)=O	ZINC000225789882	557778089	/nfs/dbraw/zinc/77/80/89/557778089.db2.gz	KKXKXUZZMZDDEP-UHFFFAOYSA-N	0	1	433.599	3.094	40	0		IGABMN
C[C@@H]1Cc2cccc3c2n1cc(C(=O)NCCSc1nc(-c2ccccc2)n[nH]1)c3=O	ZINC000225861694	557786422	/nfs/dbraw/zinc/78/64/22/557786422.db2.gz	DIEJGIKSZNJUPB-CQSZACIVSA-N	0	1	431.521	3.426	40	0		IGABMN
C[C@H]1Cc2cccc3c2n1cc(C(=O)NCCSc1nc(-c2ccccc2)n[nH]1)c3=O	ZINC000225861712	557786452	/nfs/dbraw/zinc/78/64/52/557786452.db2.gz	DIEJGIKSZNJUPB-AWEZNQCLSA-N	0	1	431.521	3.426	40	0		IGABMN
O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1	ZINC000257206277	568667888	/nfs/dbraw/zinc/66/78/88/568667888.db2.gz	BCRMURIHIYWTCR-CYBMUJFWSA-N	0	1	438.454	3.188	40	0		IGABMN
C[C@H]1CN(CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@H](C)O1	ZINC000257225014	568676368	/nfs/dbraw/zinc/67/63/68/568676368.db2.gz	FELWNLZRERFHBI-OALUTQOASA-N	0	1	433.556	3.265	40	0		IGABMN
Cc1ncc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1	ZINC000257260187	568693227	/nfs/dbraw/zinc/69/32/27/568693227.db2.gz	LBRGLFOOHGBPHI-OAQYLSRUSA-N	0	1	441.919	3.305	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	ZINC000257282794	568703427	/nfs/dbraw/zinc/70/34/27/568703427.db2.gz	OVIMFSLIGMBNTC-NRFANRHFSA-N	0	1	444.919	3.432	40	0		IGABMN
CN(CC(=O)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1nc2ccccc2[nH]1	ZINC000257314519	568717281	/nfs/dbraw/zinc/71/72/81/568717281.db2.gz	UXIRQBCDQDMQJC-FQEVSTJZSA-N	0	1	447.518	3.206	40	0		IGABMN
CN(CC(=O)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1)Cc1nc2ccccc2[nH]1	ZINC000257314519	568717285	/nfs/dbraw/zinc/71/72/85/568717285.db2.gz	UXIRQBCDQDMQJC-FQEVSTJZSA-N	0	1	447.518	3.206	40	0		IGABMN
CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)CC1	ZINC000257315457	568717959	/nfs/dbraw/zinc/71/79/59/568717959.db2.gz	VBLLCZSAXNMBMI-UHFFFAOYSA-N	0	1	431.540	3.461	40	0		IGABMN
COc1ccc(COC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC	ZINC000027530889	568781727	/nfs/dbraw/zinc/78/17/27/568781727.db2.gz	ICIDGPFGFKGESK-NRFANRHFSA-N	0	1	434.964	3.053	40	0		IGABMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103526324	568897303	/nfs/dbraw/zinc/89/73/03/568897303.db2.gz	DTKIXLBQVYIXOU-ZVVFGRKBSA-N	0	1	435.911	3.388	40	0		IGABMN
C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000006577533	569213416	/nfs/dbraw/zinc/21/34/16/569213416.db2.gz	ZKLSTLYBTHUDFT-MNWGUIFGSA-N	0	1	437.499	3.226	40	0		IGABMN
CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cc3ccc(OC)cc3n1C)C2	ZINC000019708804	569234582	/nfs/dbraw/zinc/23/45/82/569234582.db2.gz	OYPQXCLQEHXHOL-QGZVFWFLSA-N	0	1	448.571	3.026	40	0		IGABMN
COc1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc(OC)c1OC	ZINC000096112229	291357383	/nfs/dbraw/zinc/35/73/83/291357383.db2.gz	MNNOVQHKSJIVMZ-QRWLVFNGSA-N	0	1	433.455	3.467	40	0	biogenic,in-vitro	IGABMN
O=C(Nc1nccs1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1	ZINC000008297746	291363040	/nfs/dbraw/zinc/36/30/40/291363040.db2.gz	FNHJUFTULTXEML-SUMDDJOVSA-N	0	1	440.598	3.376	40	0	biogenic,in-vitro	IGABMN
COC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)[O-])(c3ccccc3)CC2)c1	ZINC000408545883	555808042	/nfs/dbraw/zinc/80/80/42/555808042.db2.gz	BBECCVQZMLVHFJ-UHFFFAOYSA-N	0	1	430.888	3.184	40	0		IGABMN
COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)c1	ZINC000408610707	555980779	/nfs/dbraw/zinc/98/07/79/555980779.db2.gz	RQGSZTASCUBIHP-OAQYLSRUSA-N	0	1	430.476	3.207	40	0		IGABMN
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1	ZINC000408693514	556099245	/nfs/dbraw/zinc/09/92/45/556099245.db2.gz	YFVXOTQYZJBMIJ-UHFFFAOYSA-N	0	1	446.525	3.299	40	0		IGABMN
CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1	ZINC000019086153	556699769	/nfs/dbraw/zinc/69/97/69/556699769.db2.gz	RVNGJTCQNWXKQS-FPOVZHCZSA-N	0	1	443.617	3.100	40	0		IGABMN
Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4cc(C(C)C)[nH]n4)CCO3)c2)cc1	ZINC000019212710	556710264	/nfs/dbraw/zinc/71/02/64/556710264.db2.gz	SRBUCCGJEGDESH-AREMUKBSSA-N	0	1	446.551	3.448	40	0		IGABMN
COc1cc(CN2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1	ZINC000257265343	556713021	/nfs/dbraw/zinc/71/30/21/556713021.db2.gz	LYHMXRDDUUWUAQ-RUZDIDTESA-N	0	1	437.540	3.377	40	0		IGABMN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@]3(C2)CN(C)Cc2cc(C)ccc2O3)cc1	ZINC000019219497	556713995	/nfs/dbraw/zinc/71/39/95/556713995.db2.gz	BSZZJIIIUQHRHU-HSZRJFAPSA-N	0	1	443.569	3.001	40	0		IGABMN
Cc1cccc(CC(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)C[N@@H+](C(C)C)CC5)CC2)c1	ZINC000019234646	556718796	/nfs/dbraw/zinc/71/87/96/556718796.db2.gz	CWXOMOXNFHCPQT-UHFFFAOYSA-N	0	1	447.583	3.459	40	0		IGABMN
O=C(c1cn[nH]c1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCCC1	ZINC000019335093	556738277	/nfs/dbraw/zinc/73/82/77/556738277.db2.gz	DLACNTKKLQRSKD-UHFFFAOYSA-N	0	1	434.537	3.133	40	0		IGABMN
O=C(CN1CCc2ccccc2C1)N1CCC(c2[nH]ncc2C(=O)N2CCCCCC2)CC1	ZINC000019375367	556751296	/nfs/dbraw/zinc/75/12/96/556751296.db2.gz	VAEMEYSZTPXSLI-UHFFFAOYSA-N	0	1	449.599	3.190	40	0		IGABMN
C[C@@H](CN(C)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1	ZINC000019455882	556765527	/nfs/dbraw/zinc/76/55/27/556765527.db2.gz	CQCSJSWEGULEEJ-FQEVSTJZSA-N	0	1	436.600	3.411	40	0		IGABMN
C[C@H](CN(C)CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1	ZINC000019455959	556765579	/nfs/dbraw/zinc/76/55/79/556765579.db2.gz	KKWBIZCCGZAEDI-HXUWFJFHSA-N	0	1	436.600	3.411	40	0		IGABMN
CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1	ZINC000019501583	556773074	/nfs/dbraw/zinc/77/30/74/556773074.db2.gz	ZWMMPHZPOCLCEG-INIZCTEOSA-N	0	1	430.499	3.113	40	0		IGABMN
CCCc1ncc(CN2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1	ZINC000019525743	556783553	/nfs/dbraw/zinc/78/35/53/556783553.db2.gz	MGBAIOHIBLFTJH-RDPSFJRHSA-N	0	1	438.572	3.459	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555549	556798788	/nfs/dbraw/zinc/79/87/88/556798788.db2.gz	WUTHUAUABDRREL-VQTJNVASSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1ccccc1CN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO	ZINC000019570369	556810463	/nfs/dbraw/zinc/81/04/63/556810463.db2.gz	CMUNYIFQEUOXCX-QFIPXVFZSA-N	0	1	448.571	3.278	40	0		IGABMN
NC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	ZINC000408843240	556869516	/nfs/dbraw/zinc/86/95/16/556869516.db2.gz	SEGJLIRKWRALBU-UHFFFAOYSA-N	0	1	428.536	3.356	40	0		IGABMN
Cc1nc(CC2CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)cc(N2CCCC2)n1	ZINC000019758801	556902497	/nfs/dbraw/zinc/90/24/97/556902497.db2.gz	HWGVFVXZBQRCON-UHFFFAOYSA-N	0	1	436.604	3.401	40	0		IGABMN
Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(CN(C)C)cc(N(C)C)n2)cc1N1CCCC1	ZINC000019760702	556903970	/nfs/dbraw/zinc/90/39/70/556903970.db2.gz	GWKZWUZHKIYFMY-OAQYLSRUSA-N	0	1	436.604	3.490	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(Cc4cccnc4)C3)nc2C)c1	ZINC000019766268	556911267	/nfs/dbraw/zinc/91/12/67/556911267.db2.gz	YTFVMYXVRHKVQE-NRFANRHFSA-N	0	1	431.540	3.498	40	0		IGABMN
COc1ccc(OCCc2cc([C@H]3CCN(C(=O)CN4Cc5ccccc5C4)C3)n[nH]2)cc1	ZINC000072371504	556938928	/nfs/dbraw/zinc/93/89/28/556938928.db2.gz	GUXNSIDVMBOJLU-NRFANRHFSA-N	0	1	446.551	3.372	40	0		IGABMN
COc1ccccc1[C@@H](CNc1cc(-c2ccnc(N3CCOCC3)c2)nc(C)n1)N(C)C	ZINC000072373365	556946580	/nfs/dbraw/zinc/94/65/80/556946580.db2.gz	WYPRYJLDEHJOQT-JOCHJYFZSA-N	0	1	448.571	3.407	40	0		IGABMN
COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(C(=O)CN4CCCC4)C3)ccc12	ZINC000072374476	556948068	/nfs/dbraw/zinc/94/80/68/556948068.db2.gz	TWJHCAFHRLTUDW-IBGZPJMESA-N	0	1	448.571	3.380	40	0		IGABMN
Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)n1	ZINC000072374990	556949717	/nfs/dbraw/zinc/94/97/17/556949717.db2.gz	BQVNJHRTKBJBCP-GOSISDBHSA-N	0	1	432.528	3.259	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1	ZINC000072378353	556956901	/nfs/dbraw/zinc/95/69/01/556956901.db2.gz	TYLTVKODNMRJJD-GOSISDBHSA-N	0	1	434.493	3.301	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CC(=O)N2CCCc1ccccc1	ZINC000072380214	556958148	/nfs/dbraw/zinc/95/81/48/556958148.db2.gz	OHCQMSMCYJGGOC-NRFANRHFSA-N	0	1	444.539	3.397	40	0		IGABMN
O=C(Cc1ccccc1)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110073	557042465	/nfs/dbraw/zinc/04/24/65/557042465.db2.gz	DYUWSEUNCOJLGU-ZEQRLZLVSA-N	0	1	440.547	3.434	40	0		IGABMN
COc1cccc(N2C(=O)C(OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409293128	557050380	/nfs/dbraw/zinc/05/03/80/557050380.db2.gz	JBSJJEZLBLDKPD-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1cccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c1	ZINC000409293128	557050383	/nfs/dbraw/zinc/05/03/83/557050383.db2.gz	JBSJJEZLBLDKPD-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2	ZINC000096036916	557164176	/nfs/dbraw/zinc/16/41/76/557164176.db2.gz	GADFRMHQUQWGIC-UHFFFAOYSA-N	0	1	442.610	3.378	40	0		IGABMN
CC(C)CN1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037158	557164186	/nfs/dbraw/zinc/16/41/86/557164186.db2.gz	CHIDCYIDLJLMHM-UHFFFAOYSA-N	0	1	429.586	3.403	40	0		IGABMN
COc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1	ZINC000002457139	557225139	/nfs/dbraw/zinc/22/51/39/557225139.db2.gz	RWKJSQHXFZEQRP-UHFFFAOYSA-N	0	1	425.304	3.168	40	0		IGABMN
COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCc2ccccc2C1	ZINC000026832988	557249527	/nfs/dbraw/zinc/24/95/27/557249527.db2.gz	IZVMVGMBUJXYNZ-UHFFFAOYSA-N	0	1	439.375	3.184	40	0		IGABMN
CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4Cc4ccncc4)cc3nc2C1	ZINC000100234412	557252801	/nfs/dbraw/zinc/25/28/01/557252801.db2.gz	NFOIYRFEWLHJQZ-HXUWFJFHSA-N	0	1	434.544	3.098	40	0		IGABMN
COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(CC5CC5)CCN4C(C)C)n3c2)cc1	ZINC000107189645	557336075	/nfs/dbraw/zinc/33/60/75/557336075.db2.gz	XACIEJSEPBGRLI-QFIPXVFZSA-N	0	1	448.571	3.467	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSc3ccccc3)s2)cc1	ZINC000222663843	557370201	/nfs/dbraw/zinc/37/02/01/557370201.db2.gz	RBBUHXYJKCAYIG-UHFFFAOYSA-N	0	1	434.568	3.169	40	0		IGABMN
CCCN1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc(CC)ccc3[nH]c2=O)CC1	ZINC000019503423	557500413	/nfs/dbraw/zinc/50/04/13/557500413.db2.gz	OIXOFOQCCJMEHN-HSZRJFAPSA-N	0	1	449.603	3.309	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCc3ccc(Cl)cc3)s2)cc1	ZINC000225097023	557687539	/nfs/dbraw/zinc/68/75/39/557687539.db2.gz	RKYCSESTKISDSX-UHFFFAOYSA-N	0	1	436.946	3.273	40	0		IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)s1	ZINC000225185217	557697367	/nfs/dbraw/zinc/69/73/67/557697367.db2.gz	UCCIFXPTCSXPAF-UHFFFAOYSA-N	0	1	440.591	3.178	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1	ZINC000225812157	557779973	/nfs/dbraw/zinc/77/99/73/557779973.db2.gz	SUYVAALSCPOZBQ-UHFFFAOYSA-N	0	1	426.589	3.053	40	0		IGABMN
COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1	ZINC000061992833	557829768	/nfs/dbraw/zinc/82/97/68/557829768.db2.gz	HDQONPFINLODRO-NSVLHPQCSA-N	0	1	440.584	3.102	40	0		IGABMN
O=C(c1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1	ZINC000015707335	560096722	/nfs/dbraw/zinc/09/67/22/560096722.db2.gz	UQQAWIIAIWZGFW-KRWDZBQOSA-N	0	1	433.399	3.267	40	0	biogenic,in-vitro	IGABMN
Cc1nc2cc([C@@H]3CCCC[N@H+]3Cc3cccnc3)[n-]n2c(=O)c1CCC(=O)N1CCCC1	ZINC000257243323	568685252	/nfs/dbraw/zinc/68/52/52/568685252.db2.gz	IGJXSHHLKBTLAL-QFIPXVFZSA-N	0	1	448.571	3.421	40	0		IGABMN
CCCn1c2ccc(NC(=O)CN3C[C@@H]4[C@@H](Cc5cc(C)ncn5)CC[C@@H]4C3)cc2oc1=O	ZINC000257243719	568685617	/nfs/dbraw/zinc/68/56/17/568685617.db2.gz	IIGDZLMQSXNQQE-DBXWQHBBSA-N	0	1	449.555	3.242	40	0		IGABMN
CNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)s1	ZINC000257247764	568687344	/nfs/dbraw/zinc/68/73/44/568687344.db2.gz	JAISWCKLJYRNNA-SFHVURJKSA-N	0	1	445.520	3.191	40	0		IGABMN
Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[n-]n2c(=O)c1CCC(=O)NC1CC1	ZINC000257282509	568703295	/nfs/dbraw/zinc/70/32/95/568703295.db2.gz	OTZUKKQFOTYRDW-KRWDZBQOSA-N	0	1	437.519	3.083	40	0		IGABMN
O=C(CCOc1cccc(F)c1)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCC2)C1	ZINC000257321416	568720797	/nfs/dbraw/zinc/72/07/97/568720797.db2.gz	WBOVANSSWABVQM-QGZVFWFLSA-N	0	1	428.508	3.350	40	0		IGABMN
COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1	ZINC000306136500	568769419	/nfs/dbraw/zinc/76/94/19/568769419.db2.gz	PVHPXWIFZNHELW-FCHUYYIVSA-N	0	1	431.492	3.307	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)[n-]n3c(=O)c2C1	ZINC000253592333	569208948	/nfs/dbraw/zinc/20/89/48/569208948.db2.gz	VBSFJYDJMRYICQ-CRAIPNDOSA-N	0	1	425.577	3.344	40	0		IGABMN
COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc(C(=O)OC)c1	ZINC000009063545	569219993	/nfs/dbraw/zinc/21/99/93/569219993.db2.gz	WBQLPTTXXCJABI-UHFFFAOYSA-N	0	1	428.460	3.250	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1cccc(Cl)c1	ZINC000022526183	525026184	/nfs/dbraw/zinc/02/61/84/525026184.db2.gz	DGKAVIRCROEANR-UHFFFAOYSA-N	0	1	444.962	3.075	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000070680682	526237420	/nfs/dbraw/zinc/23/74/20/526237420.db2.gz	DLPGSFRECXFFPX-HYGVRPNJSA-N	0	1	428.548	3.233	40	0		IGABMN
COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1Br	ZINC000408608157	555978826	/nfs/dbraw/zinc/97/88/26/555978826.db2.gz	VFJIQEATRPFXED-OAHLLOKOSA-N	0	1	429.336	3.211	40	0		IGABMN
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(=S)SCc2ccccc2)[C@@H]1O	ZINC000004706207	556006984	/nfs/dbraw/zinc/00/69/84/556006984.db2.gz	KZQHNBMVIOQSQJ-PXQJOHHUSA-N	0	1	447.578	3.009	40	0		IGABMN
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1	ZINC000408693450	556099222	/nfs/dbraw/zinc/09/92/22/556099222.db2.gz	VCOITIIQAXHKMC-UHFFFAOYSA-N	0	1	446.525	3.299	40	0		IGABMN
COc1ccccc1-c1c2c(ccn(-c3nnc(C4CCCCC4)[nH]3)c2=O)nc2ncnn21	ZINC000040398220	556639983	/nfs/dbraw/zinc/63/99/83/556639983.db2.gz	GZZWPMDNVMCRNH-UHFFFAOYSA-N	0	1	442.483	3.270	40	0		IGABMN
COc1ccccc1-c1c2c(ccn(-c3n[nH]c(C4CCCCC4)n3)c2=O)nc2ncnn21	ZINC000040398220	556639986	/nfs/dbraw/zinc/63/99/86/556639986.db2.gz	GZZWPMDNVMCRNH-UHFFFAOYSA-N	0	1	442.483	3.270	40	0		IGABMN
Cc1cc2nc3c(c(=O)n2[n-]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(Oc2ncccn2)cc1	ZINC000019130168	556704131	/nfs/dbraw/zinc/70/41/31/556704131.db2.gz	BZVOFOLHDNFRBB-MSOLQXFVSA-N	0	1	428.496	3.457	40	0		IGABMN
CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1	ZINC000257322473	556704556	/nfs/dbraw/zinc/70/45/56/556704556.db2.gz	WGCRHMBDKIOMJE-XMMPIXPASA-N	0	1	430.552	3.093	40	0		IGABMN
O=C(CC[C@H]1CCCO1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1	ZINC000019375331	556751450	/nfs/dbraw/zinc/75/14/50/556751450.db2.gz	FTZJUJYNKJBFBN-OAQYLSRUSA-N	0	1	436.556	3.273	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019400157	556752776	/nfs/dbraw/zinc/75/27/76/556752776.db2.gz	PCZAZXFNIVILEE-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019400157	556752778	/nfs/dbraw/zinc/75/27/78/556752778.db2.gz	PCZAZXFNIVILEE-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(Cc1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019401219	556753567	/nfs/dbraw/zinc/75/35/67/556753567.db2.gz	XJIJUHNPFOIZEC-QHCPKHFHSA-N	0	1	449.599	3.400	40	0		IGABMN
O=C(Cc1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019401219	556753570	/nfs/dbraw/zinc/75/35/70/556753570.db2.gz	XJIJUHNPFOIZEC-QHCPKHFHSA-N	0	1	449.599	3.400	40	0		IGABMN
C[C@H](CN(C)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1	ZINC000019455884	556765491	/nfs/dbraw/zinc/76/54/91/556765491.db2.gz	CQCSJSWEGULEEJ-HXUWFJFHSA-N	0	1	436.600	3.411	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)[n-]n3c(=O)c2C1	ZINC000019500286	556772355	/nfs/dbraw/zinc/77/23/55/556772355.db2.gz	VBSFJYDJMRYICQ-MAUKXSAKSA-N	0	1	425.577	3.344	40	0		IGABMN
CCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)n1	ZINC000019525155	556782605	/nfs/dbraw/zinc/78/26/05/556782605.db2.gz	YOZRVHXEFDOJAR-NRFANRHFSA-N	0	1	438.576	3.457	40	0		IGABMN
CCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)n1	ZINC000019525155	556782608	/nfs/dbraw/zinc/78/26/08/556782608.db2.gz	YOZRVHXEFDOJAR-NRFANRHFSA-N	0	1	438.576	3.457	40	0		IGABMN
CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2C)C1	ZINC000019530073	556791350	/nfs/dbraw/zinc/79/13/50/556791350.db2.gz	LBYJGURMPUJQAJ-NZQKXSOJSA-N	0	1	428.508	3.288	40	0		IGABMN
Cc1nc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CC(=O)N2CCCc1ccccc1	ZINC000019696230	556853265	/nfs/dbraw/zinc/85/32/65/556853265.db2.gz	OXVQEROBGOCHBY-LJQANCHMSA-N	0	1	444.539	3.050	40	0		IGABMN
Cc1nc([C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CCC(=O)N2CC1CC1	ZINC000019740988	556882184	/nfs/dbraw/zinc/88/21/84/556882184.db2.gz	SBLIJNHJKPIEAO-NRFANRHFSA-N	0	1	439.604	3.260	40	0		IGABMN
Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(Cc2cnc(N(C)C)nc2)CC1	ZINC000019746403	556892228	/nfs/dbraw/zinc/89/22/28/556892228.db2.gz	QUADXNRUGAZRFT-LJQANCHMSA-N	0	1	428.606	3.214	40	0		IGABMN
COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)CN2CCCC2)nc1C	ZINC000019753472	556897142	/nfs/dbraw/zinc/89/71/42/556897142.db2.gz	CMEVVOGVWPFPHZ-FQEVSTJZSA-N	0	1	437.544	3.195	40	0		IGABMN
CCN(CC)Cc1c(C)onc1C(=O)N1CC[C@@H](c2cc(C(=O)NC)c3ccccc3n2)C1	ZINC000019761140	556904305	/nfs/dbraw/zinc/90/43/05/556904305.db2.gz	LWRGCOKRVBHIAJ-QGZVFWFLSA-N	0	1	449.555	3.362	40	0		IGABMN
CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1	ZINC000072370115	556933720	/nfs/dbraw/zinc/93/37/20/556933720.db2.gz	ZYRZZSKDYXEMQV-LJQANCHMSA-N	0	1	427.568	3.472	40	0		IGABMN
Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)n1	ZINC000072374971	556949814	/nfs/dbraw/zinc/94/98/14/556949814.db2.gz	OGTVYEDIMNPVKX-LJQANCHMSA-N	0	1	432.528	3.108	40	0		IGABMN
COc1cc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OCC(N)=O	ZINC000072375748	556953105	/nfs/dbraw/zinc/95/31/05/556953105.db2.gz	BHAUKURACNTHDQ-KRWDZBQOSA-N	0	1	439.541	3.492	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CC(=O)N2CCCc1ccccc1	ZINC000072380215	556958162	/nfs/dbraw/zinc/95/81/62/556958162.db2.gz	OHCQMSMCYJGGOC-OAQYLSRUSA-N	0	1	444.539	3.397	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](Cc2ccccc2)C1	ZINC000257321478	557004942	/nfs/dbraw/zinc/00/49/42/557004942.db2.gz	WBWDNJZROYXUKM-DHIUTWEWSA-N	0	1	448.611	3.240	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3)cc1	ZINC000096215665	557183694	/nfs/dbraw/zinc/18/36/94/557183694.db2.gz	XTQPFXHNKOHFMU-HSZRJFAPSA-N	0	1	430.570	3.381	40	0		IGABMN
Cc1cc(C)nc(SCc2cc(O)c3c(=O)n(-c4nc5ccccc5s4)nc-3[nH]2)n1	ZINC000010152708	557207587	/nfs/dbraw/zinc/20/75/87/557207587.db2.gz	VNFNXCHCIPCRJG-UHFFFAOYSA-N	0	1	436.522	3.316	40	0		IGABMN
CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233666	557250416	/nfs/dbraw/zinc/25/04/16/557250416.db2.gz	KHXCCTFBBMWWTE-SFHVURJKSA-N	0	1	448.571	3.140	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4ccccc4OC)[n-]n3c(=O)c2C1	ZINC000100233952	557251479	/nfs/dbraw/zinc/25/14/79/557251479.db2.gz	IKOIUCIYGCUSJP-NRFANRHFSA-N	0	1	449.555	3.465	40	0		IGABMN
CCC(=O)N1CCc2c(nc3cc([C@H]4CCCC[N@H+]4Cc4cccc(OC)c4)[n-]n3c2=O)C1	ZINC000100234108	557252435	/nfs/dbraw/zinc/25/24/35/557252435.db2.gz	CTMIWJHMIAAYIL-JOCHJYFZSA-N	0	1	449.555	3.465	40	0		IGABMN
COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100248194	557255732	/nfs/dbraw/zinc/25/57/32/557255732.db2.gz	YGFUYPJEGCPGES-JOCHJYFZSA-N	0	1	449.555	3.384	40	0		IGABMN
COc1ccccc1N1CCN(C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1	ZINC000040373261	557414570	/nfs/dbraw/zinc/41/45/70/557414570.db2.gz	OQNBLLXGZQFVHK-JOCHJYFZSA-N	0	1	428.573	3.397	40	0		IGABMN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)cc1C	ZINC000014154528	557426149	/nfs/dbraw/zinc/42/61/49/557426149.db2.gz	CSMQJNFFALIUNX-UHFFFAOYSA-N	0	1	449.960	3.095	40	0		IGABMN
COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000223375855	557464636	/nfs/dbraw/zinc/46/46/36/557464636.db2.gz	GCJHSGLTFDYGMF-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)CCc3ccccc3)s2)cc1	ZINC000223499944	557479697	/nfs/dbraw/zinc/47/96/97/557479697.db2.gz	GDUXXSXDYHGKTI-OAHLLOKOSA-N	0	1	430.555	3.398	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1	ZINC000019499547	557499682	/nfs/dbraw/zinc/49/96/82/557499682.db2.gz	ABSDPVZYHKBBBP-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C	ZINC000223707800	557504652	/nfs/dbraw/zinc/50/46/52/557504652.db2.gz	OMMKSUVSYAKBMJ-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000061992816	557829717	/nfs/dbraw/zinc/82/97/17/557829717.db2.gz	CCINPNZGQSKDQW-WVBGXPNBSA-N	0	1	428.548	3.233	40	0		IGABMN
COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1	ZINC000061992834	557829727	/nfs/dbraw/zinc/82/97/27/557829727.db2.gz	HDQONPFINLODRO-ANRVEWNMSA-N	0	1	440.584	3.102	40	0		IGABMN
Cc1cc(C)nc(NCCCC(=O)N2CCC[C@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)n1	ZINC000257220788	568674733	/nfs/dbraw/zinc/67/47/33/568674733.db2.gz	DMDXNAWVDZBORA-IBGZPJMESA-N	0	1	437.523	3.497	40	0		IGABMN
Cc1cc(C)nc(NCCCC(=O)N2CCC[C@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)n1	ZINC000257220788	568674737	/nfs/dbraw/zinc/67/47/37/568674737.db2.gz	DMDXNAWVDZBORA-IBGZPJMESA-N	0	1	437.523	3.497	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)ccn1	ZINC000257223383	568675645	/nfs/dbraw/zinc/67/56/45/568675645.db2.gz	DXCNUNDCXUTHCJ-FQEVSTJZSA-N	0	1	441.919	3.335	40	0		IGABMN
CC(C)(O)[C@@H]1CC[C@@]2(C)OCC3(CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)CC3)C[C@@H]2O1	ZINC000257315729	568718121	/nfs/dbraw/zinc/71/81/21/568718121.db2.gz	VCNVIQUAOFLPDW-TXPKVOOTSA-N	0	1	445.482	3.148	40	0		IGABMN
COc1cccc(NC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1	ZINC000306140916	568772041	/nfs/dbraw/zinc/77/20/41/568772041.db2.gz	VGSYYSLDSMGSJX-IBGZPJMESA-N	0	1	443.569	3.009	40	0		IGABMN
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000023643382	568860152	/nfs/dbraw/zinc/86/01/52/568860152.db2.gz	SPPRKROKHZPZNZ-FQEVSTJZSA-N	0	1	437.462	3.226	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1	ZINC000248126819	569207176	/nfs/dbraw/zinc/20/71/76/569207176.db2.gz	HUGXMROWVOQRKB-UYAOXDASSA-N	0	1	448.567	3.421	40	0		IGABMN
C[C@@H](CN(C)C(=O)CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1	ZINC000019455886	569226692	/nfs/dbraw/zinc/22/66/92/569226692.db2.gz	AXWIDKGJOYRIDG-RBBKRZOGSA-N	0	1	436.600	3.411	40	0		IGABMN
Cc1nc([C@H]2CCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1	ZINC000019695682	569229682	/nfs/dbraw/zinc/22/96/82/569229682.db2.gz	BYMYAANRMXQMSV-IBGZPJMESA-N	0	1	444.539	3.050	40	0		IGABMN
CNC(=O)c1[nH]c(C2CCN(CC(=O)NC3CCCCC3)CC2)nc1-c1ccc(F)cc1	ZINC000019698876	569230253	/nfs/dbraw/zinc/23/02/53/569230253.db2.gz	SDHRQBCLTAVTDB-UHFFFAOYSA-N	0	1	441.551	3.204	40	0		IGABMN
O=C(CC1(O)CCCCC1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705067	569233826	/nfs/dbraw/zinc/23/38/26/569233826.db2.gz	ULVHSMLKMFLKNB-KRWDZBQOSA-N	0	1	434.544	3.366	40	0		IGABMN
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009087952	569293707	/nfs/dbraw/zinc/29/37/07/569293707.db2.gz	INMYNIWXRXBYHO-FLFXDLLNSA-N	0	1	435.911	3.388	40	0		IGABMN
CCn1c(CN2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)nc2ccccc21	ZINC000019761416	569328714	/nfs/dbraw/zinc/32/87/14/569328714.db2.gz	YWLHSEHZWKRWPM-GOSISDBHSA-N	0	1	443.551	3.316	40	0		IGABMN
CCC(CC)c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)COC)nc(-c2ccncc2)n1	ZINC000008622994	291355033	/nfs/dbraw/zinc/35/50/33/291355033.db2.gz	NXKVMOUCSLJBKA-HBMCJLEFSA-N	0	1	437.588	3.383	40	0	biogenic,in-vitro	IGABMN
CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)COC)nc(-c2ccncc2)n1	ZINC000008622994	291355036	/nfs/dbraw/zinc/35/50/36/291355036.db2.gz	NXKVMOUCSLJBKA-HBMCJLEFSA-N	0	1	437.588	3.383	40	0	biogenic,in-vitro	IGABMN
OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(Cc2ccccc2)CC1	ZINC000225476768	291363947	/nfs/dbraw/zinc/36/39/47/291363947.db2.gz	PZMQPYDVKDZODX-UHFFFAOYSA-N	0	1	449.624	3.344	40	0	biogenic,in-vitro	IGABMN
COc1ccc(OC)c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1	ZINC000408610679	193977912	/nfs/dbraw/zinc/97/79/12/193977912.db2.gz	VGXJGJBAGOFKOX-HNNXBMFYSA-N	0	1	436.530	3.044	40	0		IGABMN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022865571	519803479	/nfs/dbraw/zinc/80/34/79/519803479.db2.gz	KNUYMKCLEZNCKC-AYEXWZOKSA-N	0	1	432.605	3.371	40	0		IGABMN
COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1	ZINC000020460904	524984653	/nfs/dbraw/zinc/98/46/53/524984653.db2.gz	PCPREPDFZKXKBO-OAHLLOKOSA-N	0	1	427.482	3.297	40	0		IGABMN
CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1Cl	ZINC000408590380	555947673	/nfs/dbraw/zinc/94/76/73/555947673.db2.gz	GMUBINAZGZXKFF-UHFFFAOYSA-N	0	1	429.878	3.343	40	0		IGABMN
COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000013893016	556327234	/nfs/dbraw/zinc/32/72/34/556327234.db2.gz	YSLKXGIIAXXJKG-UHFFFAOYSA-N	0	1	442.497	3.164	40	0		IGABMN
CC(C)(C)C(=O)NC(=S)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O	ZINC000016322695	556600645	/nfs/dbraw/zinc/60/06/45/556600645.db2.gz	XEANPUZTIKEHTF-UHFFFAOYSA-N	0	1	439.562	3.457	40	0		IGABMN
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000038753710	556616781	/nfs/dbraw/zinc/61/67/81/556616781.db2.gz	ZARCBWZUFLWACN-SFHVURJKSA-N	0	1	426.498	3.382	40	0		IGABMN
CCN(CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000016693693	556627958	/nfs/dbraw/zinc/62/79/58/556627958.db2.gz	UZMQDHXMDBYODV-UHFFFAOYSA-N	0	1	445.006	3.203	40	0		IGABMN
CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1	ZINC000019080888	556695747	/nfs/dbraw/zinc/69/57/47/556695747.db2.gz	AYBVPBZNSLPVGQ-OAHLLOKOSA-N	0	1	445.516	3.244	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccc(F)cc1F	ZINC000257317890	556703929	/nfs/dbraw/zinc/70/39/29/556703929.db2.gz	VLPHBHBXIOJSRW-VDKIKQQVSA-N	0	1	444.522	3.268	40	0		IGABMN
Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4cc(C(C)C)[nH]n4)CCO3)c2)cc1	ZINC000019212713	556710247	/nfs/dbraw/zinc/71/02/47/556710247.db2.gz	SRBUCCGJEGDESH-SANMLTNESA-N	0	1	446.551	3.448	40	0		IGABMN
COc1ccccc1CCC(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1	ZINC000019288973	556729123	/nfs/dbraw/zinc/72/91/23/556729123.db2.gz	AZVBSHYCPFXXAH-UHFFFAOYSA-N	0	1	433.556	3.204	40	0		IGABMN
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nc(N)cc(N)n1	ZINC000006089503	556828721	/nfs/dbraw/zinc/82/87/21/556828721.db2.gz	YQDQWQNGHJURHC-UHFFFAOYSA-N	0	1	429.527	3.277	40	0		IGABMN
Cc1nc([C@H]2CCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2Cc1ccc(F)cc1	ZINC000019743177	556887675	/nfs/dbraw/zinc/88/76/75/556887675.db2.gz	UDOQZUKUAPWICX-LJQANCHMSA-N	0	1	434.475	3.104	40	0		IGABMN
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000408917021	556888662	/nfs/dbraw/zinc/88/86/62/556888662.db2.gz	KXTFCQJDGGRTDH-OVCLIPMQSA-N	0	1	433.823	3.076	40	0		IGABMN
CNc1nc([C@H]2CCCCN2CC(=O)N(C(C)C)C2CCCCC2)nc2c1CCNC2	ZINC000019754873	556898128	/nfs/dbraw/zinc/89/81/28/556898128.db2.gz	YPMZEUXSHIKORX-OAQYLSRUSA-N	0	1	428.625	3.261	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3F)CC2)o1	ZINC000072344892	556915801	/nfs/dbraw/zinc/91/58/01/556915801.db2.gz	SCLPUBMPPFVQNK-IBGZPJMESA-N	0	1	436.553	3.465	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1	ZINC000072371507	556939434	/nfs/dbraw/zinc/93/94/34/556939434.db2.gz	PCSWAKABWXLSOE-CYBMUJFWSA-N	0	1	427.455	3.151	40	0		IGABMN
C[C@H](CN(C)C(=O)CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1	ZINC000072373066	556945457	/nfs/dbraw/zinc/94/54/57/556945457.db2.gz	AXWIDKGJOYRIDG-IRLDBZIGSA-N	0	1	436.600	3.411	40	0		IGABMN
CCc1nnc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)s1	ZINC000019927927	556945766	/nfs/dbraw/zinc/94/57/66/556945766.db2.gz	DFRMZLVYVAULPP-UHFFFAOYSA-N	0	1	425.337	3.379	40	0		IGABMN
Cn1cc(CCC(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCOCC2)c2ccccc21	ZINC000585168858	557131383	/nfs/dbraw/zinc/13/13/83/557131383.db2.gz	NTCGBRVJVLPYPA-JOCHJYFZSA-N	0	1	449.555	3.060	40	0		IGABMN
O=S1(=O)c2ccccc2OCC2(CCN(Cc3ccccn3)CC2)CN1CC1CC1	ZINC000096145190	557174383	/nfs/dbraw/zinc/17/43/83/557174383.db2.gz	QZOWSPOBIWDLDF-UHFFFAOYSA-N	0	1	427.570	3.157	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCC[N@H+]4Cc4cccs4)[n-]n3c2=O)C1	ZINC000100234363	557252825	/nfs/dbraw/zinc/25/28/25/557252825.db2.gz	NMFNPNBMIWOZTM-IBGZPJMESA-N	0	1	425.558	3.374	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4Cc4ccccc4F)cc3nc2C1	ZINC000100234342	557252854	/nfs/dbraw/zinc/25/28/54/557252854.db2.gz	DCVNCSYJAOWJTP-OAQYLSRUSA-N	0	1	437.519	3.452	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCC[N@H+]4Cc4cccs4)[n-]n3c2=O)C1	ZINC000100234364	557252926	/nfs/dbraw/zinc/25/29/26/557252926.db2.gz	NMFNPNBMIWOZTM-LJQANCHMSA-N	0	1	425.558	3.374	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1	ZINC000100238818	557254279	/nfs/dbraw/zinc/25/42/79/557254279.db2.gz	RVARIKQFKGPQMK-LMMKCTJWSA-N	0	1	428.577	3.004	40	0		IGABMN
COc1cccc(C[N@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)c1	ZINC000100242924	557254448	/nfs/dbraw/zinc/25/44/48/557254448.db2.gz	BLSFWKYZVFULEQ-QFIPXVFZSA-N	0	1	435.528	3.075	40	0		IGABMN
COc1ccc(C[N@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1	ZINC000100242885	557254458	/nfs/dbraw/zinc/25/44/58/557254458.db2.gz	DECJHSTTXNJOKC-QFIPXVFZSA-N	0	1	435.528	3.075	40	0		IGABMN
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCCN2CCOCC2)c1C	ZINC000222779239	557386226	/nfs/dbraw/zinc/38/62/26/557386226.db2.gz	DGOLABNWHSJKKD-YADHBBJMSA-N	0	1	427.618	3.215	40	0		IGABMN
CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(Br)s3)n2)cc1	ZINC000223575389	557487816	/nfs/dbraw/zinc/48/78/16/557487816.db2.gz	BQJJBYAUNKQQRI-UHFFFAOYSA-N	0	1	444.332	3.438	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019499558	557499676	/nfs/dbraw/zinc/49/96/76/557499676.db2.gz	ACLDSYZLOSAKRV-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
CCCN1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc(CC)ccc3[nH]c2=O)CC1	ZINC000019503421	557500384	/nfs/dbraw/zinc/50/03/84/557500384.db2.gz	OIXOFOQCCJMEHN-QHCPKHFHSA-N	0	1	449.603	3.309	40	0		IGABMN
Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000224351039	557596623	/nfs/dbraw/zinc/59/66/23/557596623.db2.gz	NFXFYKWYIABFON-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)s1)c1ccccc1	ZINC000224644719	557635514	/nfs/dbraw/zinc/63/55/14/557635514.db2.gz	ZZTPCVMSXZOKMD-UHFFFAOYSA-N	0	1	442.444	3.288	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)s1	ZINC000224650282	557636075	/nfs/dbraw/zinc/63/60/75/557636075.db2.gz	ORVAKAMVFSUMBF-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3cccc(OC(C)C)c3)s2)c1	ZINC000224795613	557652108	/nfs/dbraw/zinc/65/21/08/557652108.db2.gz	QXWKYIZPXJGSRF-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C	ZINC000225070822	557685173	/nfs/dbraw/zinc/68/51/73/557685173.db2.gz	WPHWFJKAWBBXBH-UHFFFAOYSA-N	0	1	429.317	3.172	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccc(F)cc3)s2)c1	ZINC000225102281	557687997	/nfs/dbraw/zinc/68/79/97/557687997.db2.gz	FOESHQAAJGUNRI-UHFFFAOYSA-N	0	1	434.518	3.149	40	0		IGABMN
CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000225166894	557695258	/nfs/dbraw/zinc/69/52/58/557695258.db2.gz	FNJULVDJMSSQJV-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)s1	ZINC000225336951	557712210	/nfs/dbraw/zinc/71/22/10/557712210.db2.gz	MOQHBCYEFIRXMP-AWEZNQCLSA-N	0	1	436.559	3.392	40	0		IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1	ZINC000225419298	557721056	/nfs/dbraw/zinc/72/10/56/557721056.db2.gz	IBDBFUAPFVQEIU-UHFFFAOYSA-N	0	1	449.023	3.388	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)c(C)c1	ZINC000225606726	557750669	/nfs/dbraw/zinc/75/06/69/557750669.db2.gz	ITDGBTHAZJQTAS-UHFFFAOYSA-N	0	1	442.534	3.118	40	0		IGABMN
O=C1C[C@H](Sc2nc(-c3ccncc3)n[nH]2)C(=O)N1c1ccc(Br)cc1	ZINC000256055652	568663671	/nfs/dbraw/zinc/66/36/71/568663671.db2.gz	OOQOIVVYSUOROL-ZDUSSCGKSA-N	0	1	430.287	3.053	40	0		IGABMN
Cc1nc2ccc(NC(=O)CN3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)cc2[nH]1	ZINC000257220608	568674552	/nfs/dbraw/zinc/67/45/52/568674552.db2.gz	DLLGHKMSUKWPAO-GOTSBHOMSA-N	0	1	431.540	3.465	40	0		IGABMN
Cc1nc(C)c(CC(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCCCCC3)C2)s1	ZINC000257225139	568676834	/nfs/dbraw/zinc/67/68/34/568676834.db2.gz	FFAIKAHJNQLJOU-KRWDZBQOSA-N	0	1	429.590	3.448	40	0		IGABMN
CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)CC1	ZINC000257232137	568679901	/nfs/dbraw/zinc/67/99/01/568679901.db2.gz	GJOQOZMRFMBELU-FQEVSTJZSA-N	0	1	426.536	3.435	40	0		IGABMN
O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCCC1	ZINC000257256655	568691785	/nfs/dbraw/zinc/69/17/85/568691785.db2.gz	KMJSUELFBZJLBK-INIZCTEOSA-N	0	1	434.537	3.133	40	0		IGABMN
CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)C4CC[NH+](C(C)C)CC4)CCO3)n2)s1	ZINC000257263640	568695014	/nfs/dbraw/zinc/69/50/14/568695014.db2.gz	LQVGFUUIHAZCQO-SFHVURJKSA-N	0	1	444.605	3.259	40	0		IGABMN
c1cn2nc(C[C@@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)ccc2n1	ZINC000257287555	568705637	/nfs/dbraw/zinc/70/56/37/568705637.db2.gz	PQLOQPMBBUMVOP-NRFANRHFSA-N	0	1	429.524	3.394	40	0		IGABMN
CCc1nnsc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	ZINC000257335579	568726818	/nfs/dbraw/zinc/72/68/18/568726818.db2.gz	YKVKSUJNHSPVLT-SFHVURJKSA-N	0	1	447.948	3.312	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccoc3)CC2)C1	ZINC000306127410	568764704	/nfs/dbraw/zinc/76/47/04/568764704.db2.gz	FYDLQHSPRXZHKG-UHFFFAOYSA-N	0	1	425.464	3.251	40	0		IGABMN
CCOC(=O)C1C(CNCc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000013565845	568905095	/nfs/dbraw/zinc/90/50/95/568905095.db2.gz	ARDWTABHJXTEDX-FQEVSTJZSA-N	0	1	429.904	3.310	40	0		IGABMN
CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)Cc3n[nH]c(C(C)C)n3)c2)C1	ZINC000019712213	569235158	/nfs/dbraw/zinc/23/51/58/569235158.db2.gz	MZJFWNQIKDTJIV-AQNXPRMDSA-N	0	1	427.549	3.490	40	0		IGABMN
COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)cc1	ZINC000008299342	291358053	/nfs/dbraw/zinc/35/80/53/291358053.db2.gz	UGVLHIYVJVVPAT-WPYKKVEZSA-N	0	1	449.530	3.120	40	0	biogenic,in-vitro	IGABMN
Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCc1ccc2c(c1)OCO2	ZINC000035311122	525051591	/nfs/dbraw/zinc/05/15/91/525051591.db2.gz	XKEDMHHPWJRNHC-SEJPIABJSA-N	0	1	449.551	3.155	40	0		IGABMN
COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1	ZINC000022511375	526238734	/nfs/dbraw/zinc/23/87/34/526238734.db2.gz	XENQQIRLOCNOHM-OAHLLOKOSA-N	0	1	427.482	3.297	40	0		IGABMN
O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1	ZINC000041689924	526284195	/nfs/dbraw/zinc/28/41/95/526284195.db2.gz	CCRQVWQNKNZSMT-AVZNFENQSA-N	0	1	428.617	3.167	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1	ZINC000408572267	555916030	/nfs/dbraw/zinc/91/60/30/555916030.db2.gz	HULIXJWWBHJUCL-UHFFFAOYSA-N	0	1	446.960	3.005	40	0		IGABMN
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c1	ZINC000408605420	555966143	/nfs/dbraw/zinc/96/61/43/555966143.db2.gz	ITXGKUZVFJZNAH-UHFFFAOYSA-N	0	1	432.933	3.466	40	0		IGABMN
COc1ccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1OC	ZINC000408606559	555967035	/nfs/dbraw/zinc/96/70/35/555967035.db2.gz	IQHVXBKDKLVADC-LJQANCHMSA-N	0	1	430.476	3.207	40	0		IGABMN
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(=S)SCc2ccccc2)[C@H]1O	ZINC000004706206	556006951	/nfs/dbraw/zinc/00/69/51/556006951.db2.gz	KZQHNBMVIOQSQJ-MFHSYZQISA-N	0	1	447.578	3.009	40	0		IGABMN
O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1	ZINC000019292156	556732160	/nfs/dbraw/zinc/73/21/60/556732160.db2.gz	VVWKQFSZXHIKHM-KRWDZBQOSA-N	0	1	435.572	3.265	40	0		IGABMN
OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1Cc1cccc(F)c1	ZINC000019293846	556733283	/nfs/dbraw/zinc/73/32/83/556733283.db2.gz	MEQNRTKQTRVHOE-QFIPXVFZSA-N	0	1	436.535	3.409	40	0		IGABMN
O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343602	556741311	/nfs/dbraw/zinc/74/13/11/556741311.db2.gz	DQOYQWZNYMWPOF-ROUUACIJSA-N	0	1	438.597	3.452	40	0		IGABMN
O=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(C[C@]3(CO2)NC(=O)c2ccccc2N3)CC1	ZINC000019374620	556751132	/nfs/dbraw/zinc/75/11/32/556751132.db2.gz	VJHWIRBZCMBAFK-HSZRJFAPSA-N	0	1	449.536	3.085	40	0		IGABMN
CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019528987	556789999	/nfs/dbraw/zinc/78/99/99/556789999.db2.gz	YSIGBUNHKGVNGO-VWLOTQADSA-N	0	1	432.524	3.296	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCCCC3)CC2)cc1	ZINC000019557006	556799569	/nfs/dbraw/zinc/79/95/69/556799569.db2.gz	VCOVSRGSWCXAOX-UHFFFAOYSA-N	0	1	446.573	3.003	40	0		IGABMN
COc1cccc2ccc(CN3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)nc21	ZINC000019568421	556808555	/nfs/dbraw/zinc/80/85/55/556808555.db2.gz	WURWJTHLFINQIY-QHCPKHFHSA-N	0	1	438.553	3.186	40	0		IGABMN
CN(C)c1ncc(CN2CCC([C@@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1	ZINC000019698518	556856917	/nfs/dbraw/zinc/85/69/17/556856917.db2.gz	FFNDYCMBUDAUJJ-DEOSSOPVSA-N	0	1	433.600	3.402	40	0		IGABMN
Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019740776	556881709	/nfs/dbraw/zinc/88/17/09/556881709.db2.gz	BJVKGXVLYGCTJZ-NRFANRHFSA-N	0	1	433.556	3.024	40	0		IGABMN
CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1	ZINC000072344825	556915484	/nfs/dbraw/zinc/91/54/84/556915484.db2.gz	OVGCQPALDGGFAH-OAQYLSRUSA-N	0	1	431.540	3.416	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000072371578	556939741	/nfs/dbraw/zinc/93/97/41/556939741.db2.gz	JKGRNBJHQAOIIS-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1	ZINC000072371644	556939772	/nfs/dbraw/zinc/93/97/72/556939772.db2.gz	WZXSIFPYHYVEFQ-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1nc(C)n(CC(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)n1	ZINC000072371626	556939834	/nfs/dbraw/zinc/93/98/34/556939834.db2.gz	OTUSNLJQGGOCGW-HXUWFJFHSA-N	0	1	436.560	3.379	40	0		IGABMN
CC(=O)N1CCc2c(nc([C@H]3CCCN(C)C3)nc2N(C)Cc2ccc3ncccc3c2)C1	ZINC000072376535	556955128	/nfs/dbraw/zinc/95/51/28/556955128.db2.gz	OEPFLLYQJRVGOL-NRFANRHFSA-N	0	1	444.583	3.375	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1c(C)cc(C)cc1C	ZINC000020045249	556972873	/nfs/dbraw/zinc/97/28/73/556972873.db2.gz	GILQCQILIFYTNZ-UHFFFAOYSA-N	0	1	438.571	3.206	40	0		IGABMN
COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000020049855	556974521	/nfs/dbraw/zinc/97/45/21/556974521.db2.gz	FOCDCQQXSGAWQT-UHFFFAOYSA-N	0	1	430.511	3.017	40	0		IGABMN
COCCN1CC2(CCN(Cc3cccs3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037171	557164221	/nfs/dbraw/zinc/16/42/21/557164221.db2.gz	FHLZWOOILNVESU-UHFFFAOYSA-N	0	1	436.599	3.060	40	0		IGABMN
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccnc1	ZINC000585262446	557202236	/nfs/dbraw/zinc/20/22/36/557202236.db2.gz	OIILKNGFXAZQBW-LWSSLDFYSA-N	0	1	435.499	3.032	40	0		IGABMN
CCCOc1ccc(N2C(=O)C[C@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1	ZINC000096900164	557205971	/nfs/dbraw/zinc/20/59/71/557205971.db2.gz	BDTCLIVHPGCTFV-NRFANRHFSA-N	0	1	427.570	3.029	40	0		IGABMN
CCCOc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1c(nc4cc(C)[n-]n4c1=O)C3)OCO2	ZINC000100219562	557248824	/nfs/dbraw/zinc/24/88/24/557248824.db2.gz	KGABWRZRVSQRAO-DLBZAZTESA-N	0	1	436.512	3.393	40	0		IGABMN
CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233775	557251043	/nfs/dbraw/zinc/25/10/43/557251043.db2.gz	MGDLEHUEYPWUFB-OAQYLSRUSA-N	0	1	434.544	3.242	40	0		IGABMN
CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233775	557251044	/nfs/dbraw/zinc/25/10/44/557251044.db2.gz	MGDLEHUEYPWUFB-OAQYLSRUSA-N	0	1	434.544	3.242	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCC[N@H+]4Cc4cccnc4)[n-]n3c2=O)C1	ZINC000100234100	557252518	/nfs/dbraw/zinc/25/25/18/557252518.db2.gz	MMKGEQNWNJGPJX-NRFANRHFSA-N	0	1	434.544	3.098	40	0		IGABMN
COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1	ZINC000100242888	557254526	/nfs/dbraw/zinc/25/45/26/557254526.db2.gz	DECJHSTTXNJOKC-JOCHJYFZSA-N	0	1	435.528	3.075	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccc(C)s4)[n-]n3c(=O)c2C1	ZINC000100243148	557255364	/nfs/dbraw/zinc/25/53/64/557255364.db2.gz	DXKNZWNMFUZCQV-HXUWFJFHSA-N	0	1	425.558	3.437	40	0		IGABMN
COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000013566911	557345687	/nfs/dbraw/zinc/34/56/87/557345687.db2.gz	NILYRZKXRYENNC-UHFFFAOYSA-N	0	1	440.481	3.223	40	0		IGABMN
COc1ccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1OC	ZINC000223632363	557494489	/nfs/dbraw/zinc/49/44/89/557494489.db2.gz	WWBPLYMYJWJYOD-UHFFFAOYSA-N	0	1	441.868	3.166	40	0		IGABMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	ZINC000223667438	557499724	/nfs/dbraw/zinc/49/97/24/557499724.db2.gz	AWSYHTMSPBOBTD-UHFFFAOYSA-N	0	1	435.498	3.395	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1	ZINC000019527965	557501738	/nfs/dbraw/zinc/50/17/38/557501738.db2.gz	DTLVKZDVZZSFSR-HSZRJFAPSA-N	0	1	449.603	3.364	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019527929	557501792	/nfs/dbraw/zinc/50/17/92/557501792.db2.gz	NQAVLSODTWVEPA-HSZRJFAPSA-N	0	1	449.603	3.364	40	0		IGABMN
COc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)cc1NC(C)=O	ZINC000223788725	557513419	/nfs/dbraw/zinc/51/34/19/557513419.db2.gz	UZKVRJSCGHHBDM-UHFFFAOYSA-N	0	1	436.486	3.028	40	0		IGABMN
Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000224905890	557665253	/nfs/dbraw/zinc/66/52/53/557665253.db2.gz	BUYMIIDLIANWIO-UHFFFAOYSA-N	0	1	448.595	3.478	40	0		IGABMN
CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)s1	ZINC000225336916	557712252	/nfs/dbraw/zinc/71/22/52/557712252.db2.gz	MOQHBCYEFIRXMP-CQSZACIVSA-N	0	1	436.559	3.392	40	0		IGABMN
O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cn2c3c(cccc3c1=O)CCC2	ZINC000225859921	557786240	/nfs/dbraw/zinc/78/62/40/557786240.db2.gz	POCCEGQUMWQVHV-UHFFFAOYSA-N	0	1	431.521	3.255	40	0		IGABMN
C[N@@H+](CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccn1	ZINC000257248142	568687525	/nfs/dbraw/zinc/68/75/25/568687525.db2.gz	JCHCDPVEINTWHO-UMFSSWHCSA-N	0	1	434.584	3.175	40	0		IGABMN
CN(CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccn1	ZINC000257248142	568687527	/nfs/dbraw/zinc/68/75/27/568687527.db2.gz	JCHCDPVEINTWHO-UMFSSWHCSA-N	0	1	434.584	3.175	40	0		IGABMN
CNc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)ccn1	ZINC000257312194	568716591	/nfs/dbraw/zinc/71/65/91/568716591.db2.gz	UMUQGCPKTLGYSB-IBGZPJMESA-N	0	1	432.528	3.138	40	0		IGABMN
CC(C)c1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)n[nH]1	ZINC000257331517	568725150	/nfs/dbraw/zinc/72/51/50/568725150.db2.gz	XTEZELZLJKZETL-QFIPXVFZSA-N	0	1	441.507	3.241	40	0		IGABMN
CCc1nnsc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	ZINC000257335578	568726870	/nfs/dbraw/zinc/72/68/70/568726870.db2.gz	YKVKSUJNHSPVLT-GOSISDBHSA-N	0	1	447.948	3.312	40	0		IGABMN
Cc1ccc(CNC(=O)[C@@H]2CCc3nnc(C4CCN(Cc5cccnc5)CC4)n3C2)cc1	ZINC000306133419	568767974	/nfs/dbraw/zinc/76/79/74/568767974.db2.gz	MKROQYIJBCEBKN-HSZRJFAPSA-N	0	1	444.583	3.240	40	0		IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@]21C(=O)Nc2c1cccc2Cl	ZINC000016022190	568863792	/nfs/dbraw/zinc/86/37/92/568863792.db2.gz	NUXASOIAYFNQAH-XOOURAJSSA-N	0	1	437.927	3.102	40	0		IGABMN
COC(=O)C1C(CSc2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000013566242	568905145	/nfs/dbraw/zinc/90/51/45/568905145.db2.gz	NRSGEHNHKKALQX-HXUWFJFHSA-N	0	1	444.509	3.286	40	0		IGABMN
O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@@H+](C[C@@H]5CC=CCC5)C4)[n-]n3c(=O)c2C1	ZINC000247713757	569206056	/nfs/dbraw/zinc/20/60/56/569206056.db2.gz	LXFHKHJZCOTKIG-IEBWSBKVSA-N	0	1	435.572	3.265	40	0		IGABMN
Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2nc(CN(C)C)cc(N(C)C)n2)c1	ZINC000019760772	569237763	/nfs/dbraw/zinc/23/77/63/569237763.db2.gz	WLBNKPCVOWSFJP-HXUWFJFHSA-N	0	1	425.577	3.434	40	0		IGABMN
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OCC	ZINC000033762927	569246596	/nfs/dbraw/zinc/24/65/96/569246596.db2.gz	RYGBATQNNQSOES-MHWRWJLKSA-N	0	1	442.424	3.123	40	0		IGABMN
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC	ZINC000096306056	569392184	/nfs/dbraw/zinc/39/21/84/569392184.db2.gz	HZSXYUMSQSOAHU-INIZCTEOSA-N	0	1	448.932	3.058	40	0		IGABMN
CCOc1ccccc1CN1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1	ZINC000012276005	521481414	/nfs/dbraw/zinc/48/14/14/521481414.db2.gz	OTWLXVGZHDMHGJ-UHFFFAOYSA-N	0	1	425.554	3.398	40	0		IGABMN
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc(OC)c1OC	ZINC000020111219	522156944	/nfs/dbraw/zinc/15/69/44/522156944.db2.gz	HSNLVBGILKHKMO-UHFFFAOYSA-N	0	1	443.481	3.161	40	0		IGABMN
COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1OC	ZINC000012186604	524024247	/nfs/dbraw/zinc/02/42/47/524024247.db2.gz	UXAKBDTUVWUUSZ-UHFFFAOYSA-N	0	1	441.553	3.016	40	0		IGABMN
C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000012466095	525011394	/nfs/dbraw/zinc/01/13/94/525011394.db2.gz	ZKLSTLYBTHUDFT-SCPSAXBQSA-N	0	1	437.499	3.226	40	0		IGABMN
COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000021117050	525109081	/nfs/dbraw/zinc/10/90/81/525109081.db2.gz	UQCVCDKRCWPACC-AWEZNQCLSA-N	0	1	444.538	3.405	40	0		IGABMN
COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)c1	ZINC000408610706	555980729	/nfs/dbraw/zinc/98/07/29/555980729.db2.gz	RQGSZTASCUBIHP-NRFANRHFSA-N	0	1	430.476	3.207	40	0		IGABMN
COc1ccc(CNC(=O)CN2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1	ZINC000257255092	556712007	/nfs/dbraw/zinc/71/20/07/556712007.db2.gz	KGBRXESZSLDTHI-UHFFFAOYSA-N	0	1	426.557	3.488	40	0		IGABMN
Cc1ccc2nc(COCC(=O)N3CCC[C@@H](c4noc(-c5cccnc5)n4)C3)[nH]c2c1	ZINC000019219686	556714009	/nfs/dbraw/zinc/71/40/09/556714009.db2.gz	JDCPJMKCDVXUFV-QGZVFWFLSA-N	0	1	432.484	3.239	40	0		IGABMN
O=C(Cn1cnc2ccccc21)N1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1	ZINC000257301097	556717426	/nfs/dbraw/zinc/71/74/26/556717426.db2.gz	RWZGSTWYYZGLSQ-HSZRJFAPSA-N	0	1	449.486	3.120	40	0		IGABMN
O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2	ZINC000019345581	556742519	/nfs/dbraw/zinc/74/25/19/556742519.db2.gz	OBRJYOPZUJSJTN-OALUTQOASA-N	0	1	431.916	3.495	40	0		IGABMN
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019528986	556789961	/nfs/dbraw/zinc/78/99/61/556789961.db2.gz	YSIGBUNHKGVNGO-RUZDIDTESA-N	0	1	432.524	3.296	40	0		IGABMN
CN(C)c1ncc(CN2CCC([C@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1	ZINC000019698519	556856976	/nfs/dbraw/zinc/85/69/76/556856976.db2.gz	FFNDYCMBUDAUJJ-XMMPIXPASA-N	0	1	433.600	3.402	40	0		IGABMN
CN(C)c1ncc(CN2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1	ZINC000019698516	556856983	/nfs/dbraw/zinc/85/69/83/556856983.db2.gz	XTABXZIIQURIFV-QHCPKHFHSA-N	0	1	437.563	3.499	40	0		IGABMN
Cc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1	ZINC000019703471	556861741	/nfs/dbraw/zinc/86/17/41/556861741.db2.gz	XVRUZFJIVWMWNE-UHFFFAOYSA-N	0	1	448.502	3.146	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2CCc1ccccc1	ZINC000019743173	556887749	/nfs/dbraw/zinc/88/77/49/556887749.db2.gz	YRVNIXNLYANEKX-OAQYLSRUSA-N	0	1	444.539	3.397	40	0		IGABMN
CNc1nc([C@@H]2CCCCN2CC(=O)N(C(C)C)C2CCCCC2)nc2c1CCNC2	ZINC000019754871	556898040	/nfs/dbraw/zinc/89/80/40/556898040.db2.gz	YPMZEUXSHIKORX-NRFANRHFSA-N	0	1	428.625	3.261	40	0		IGABMN
C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCN(C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1	ZINC000072326930	556903383	/nfs/dbraw/zinc/90/33/83/556903383.db2.gz	FOHOCAOJWPUAJL-ZMSGYCMXSA-N	0	1	436.600	3.451	40	0		IGABMN
CCCn1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)n1	ZINC000072344779	556915470	/nfs/dbraw/zinc/91/54/70/556915470.db2.gz	UXIBVGCZGFWZAH-KRWDZBQOSA-N	0	1	426.565	3.441	40	0		IGABMN
CCCC(=O)N1CCc2nc(C3CCN(Cc4ccc(F)cc4F)CC3)[nH]c(=O)c2C1	ZINC000072398990	556971075	/nfs/dbraw/zinc/97/10/75/556971075.db2.gz	KYSNWORDUYRJFD-UHFFFAOYSA-N	0	1	430.499	3.113	40	0		IGABMN
Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[nH]c(=O)c3C2)cs1	ZINC000072398969	556971174	/nfs/dbraw/zinc/97/11/74/556971174.db2.gz	UHQLLOYKUYZHGC-UHFFFAOYSA-N	0	1	449.580	3.113	40	0		IGABMN
O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110071	557042495	/nfs/dbraw/zinc/04/24/95/557042495.db2.gz	DYUWSEUNCOJLGU-DNQXCXABSA-N	0	1	440.547	3.434	40	0		IGABMN
Cc1ccc(CN2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3Cc2ccccc2)o1	ZINC000096230347	557184645	/nfs/dbraw/zinc/18/46/45/557184645.db2.gz	JMMXJYLTAHZHNE-UHFFFAOYSA-N	0	1	433.556	3.205	40	0		IGABMN
Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)c1	ZINC000585274212	557218371	/nfs/dbraw/zinc/21/83/71/557218371.db2.gz	UECXWWLBOWEWJR-XMMPIXPASA-N	0	1	446.975	3.439	40	0		IGABMN
CC(C)[N@H+]1CCc2c(=O)n3[n-]c([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234276	557252403	/nfs/dbraw/zinc/25/24/03/557252403.db2.gz	NDXDGSVLORWNHB-NRFANRHFSA-N	0	1	437.519	3.247	40	0		IGABMN
O=S(=O)(Nc1cccc(Br)c1)c1ccn(S(=O)(=O)c2ccccc2)c1	ZINC000013585714	557355867	/nfs/dbraw/zinc/35/58/67/557355867.db2.gz	XAHIXBGMLXNMBX-UHFFFAOYSA-N	0	1	441.328	3.288	40	0		IGABMN
COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	ZINC000222748725	557382424	/nfs/dbraw/zinc/38/24/24/557382424.db2.gz	HXMRXLNOKALMJJ-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
CCOC(=O)Nc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000222998662	557413893	/nfs/dbraw/zinc/41/38/93/557413893.db2.gz	FCMSLLBRROHYLN-UHFFFAOYSA-N	0	1	447.542	3.111	40	0		IGABMN
COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1	ZINC000223789841	557513621	/nfs/dbraw/zinc/51/36/21/557513621.db2.gz	AREVNNYXTQIGIR-UHFFFAOYSA-N	0	1	446.525	3.496	40	0		IGABMN
Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccccc3C(=O)[O-])n2)c1	ZINC000015675880	560095648	/nfs/dbraw/zinc/09/56/48/560095648.db2.gz	WNDACUANOKRYJD-IBGZPJMESA-N	0	1	429.436	3.406	40	0	biogenic,in-vitro	IGABMN
COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1cccn1	ZINC000585271173	568617857	/nfs/dbraw/zinc/61/78/57/568617857.db2.gz	KWCBWJPEDRJOGR-VWLOTQADSA-N	0	1	437.540	3.377	40	0		IGABMN
COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@@H]3[C@@H](Cc4ccc(C)cn4)CC[C@@H]3C2)c1	ZINC000257204588	568667166	/nfs/dbraw/zinc/66/71/66/568667166.db2.gz	AVINTCRMIXGBMU-WOIUINJBSA-N	0	1	436.556	3.496	40	0		IGABMN
CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)CCn2nccc2C)CC1)c1ccccc1	ZINC000257230626	568679149	/nfs/dbraw/zinc/67/91/49/568679149.db2.gz	GDDSVFMENCMEQU-UHFFFAOYSA-N	0	1	434.544	3.378	40	0		IGABMN
O=C(CC1CCN(c2ncccn2)CC1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257310905	568715717	/nfs/dbraw/zinc/71/57/17/568715717.db2.gz	UHCYIYDEGCFTGT-FQEVSTJZSA-N	0	1	449.534	3.295	40	0		IGABMN
O=C(CC1CCN(c2ncccn2)CC1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257310905	568715718	/nfs/dbraw/zinc/71/57/18/568715718.db2.gz	UHCYIYDEGCFTGT-FQEVSTJZSA-N	0	1	449.534	3.295	40	0		IGABMN
CNc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)ccn1	ZINC000257312195	568716494	/nfs/dbraw/zinc/71/64/94/568716494.db2.gz	UMUQGCPKTLGYSB-LJQANCHMSA-N	0	1	432.528	3.138	40	0		IGABMN
Cc1nc2cc(NC(=O)CN3CCC[C@@H]3c3nnc(Cc4ccc(F)cc4)[nH]3)ccc2[nH]1	ZINC000257323780	568721501	/nfs/dbraw/zinc/72/15/01/568721501.db2.gz	WLUPWDYPOYPZEJ-HXUWFJFHSA-N	0	1	433.491	3.495	40	0		IGABMN
CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000257323943	568721575	/nfs/dbraw/zinc/72/15/75/568721575.db2.gz	WMNIDWJORZADAA-CZYKHXBRSA-N	0	1	445.535	3.169	40	0		IGABMN
COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@H]3CCCN4C(C)=O)n[nH]2)c(OC)c1	ZINC000257328987	568723963	/nfs/dbraw/zinc/72/39/63/568723963.db2.gz	XHYBSTFNKKIVFW-GGAORHGYSA-N	0	1	426.517	3.100	40	0		IGABMN
O=C(c1cnccn1)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000257329493	568724058	/nfs/dbraw/zinc/72/40/58/568724058.db2.gz	XKERJQUARPXLJI-LJQANCHMSA-N	0	1	447.417	3.054	40	0		IGABMN
CN1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)c2nn(-c3ccccc3)cc2C1=O	ZINC000306132105	568766944	/nfs/dbraw/zinc/76/69/44/568766944.db2.gz	KYLWBTVIIQKMIF-UHFFFAOYSA-N	0	1	430.508	3.220	40	0		IGABMN
CCn1cc(CN2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1	ZINC000247919491	569206562	/nfs/dbraw/zinc/20/65/62/569206562.db2.gz	CAWWJAGKNUFFDO-YADARESESA-N	0	1	426.561	3.242	40	0		IGABMN
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)NC2=S)cc1	ZINC000009973094	569220216	/nfs/dbraw/zinc/22/02/16/569220216.db2.gz	LMAMKGCJUOHFNO-MHWRWJLKSA-N	0	1	426.494	3.106	40	0		IGABMN
NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C2CN(Cc3ccccc3)C2)CCO1	ZINC000019697780	569230036	/nfs/dbraw/zinc/23/00/36/569230036.db2.gz	XZXJXOUSMNZZKT-LJQANCHMSA-N	0	1	435.549	3.032	40	0		IGABMN
Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2cnc(N3CCOCC3)nc2)c1	ZINC000019713522	569235612	/nfs/dbraw/zinc/23/56/12/569235612.db2.gz	LURBKMTYUHTUKG-RPWUZVMVSA-N	0	1	449.599	3.167	40	0		IGABMN
Cc1nnc(Nc2cc([C@@H]3CCCN3C(=O)/C=C/c3csc(C)n3)nc(C)n2)s1	ZINC000585291494	569585004	/nfs/dbraw/zinc/58/50/04/569585004.db2.gz	QTNWCTZXIVJLPU-MOEXGYKKSA-N	0	1	427.559	3.830	40	0		IGABMN
COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)cs1	ZINC000225465871	291357205	/nfs/dbraw/zinc/35/72/05/291357205.db2.gz	SSCXMVHWOXKXSQ-LJQANCHMSA-N	0	1	431.602	3.246	40	0	biogenic,in-vitro	IGABMN
COCCOc1cc(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)ccc1OC	ZINC000012255402	524040977	/nfs/dbraw/zinc/04/09/77/524040977.db2.gz	SJMXERXNMMIZQQ-SFHVURJKSA-N	0	1	426.517	3.075	40	0		IGABMN
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000022525099	524773782	/nfs/dbraw/zinc/77/37/82/524773782.db2.gz	SGXLPXVVGOZARC-INIZCTEOSA-N	0	1	426.498	3.300	40	0		IGABMN
CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)c2cccc(Br)c2)CC1	ZINC000408531595	555733977	/nfs/dbraw/zinc/73/39/77/555733977.db2.gz	OPLGHOOVSKTWFO-UHFFFAOYSA-N	0	1	430.306	3.035	40	0		IGABMN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)cc1	ZINC000408630349	556001072	/nfs/dbraw/zinc/00/10/72/556001072.db2.gz	SEBTVIUZXGEUOU-UHFFFAOYSA-N	0	1	432.933	3.466	40	0		IGABMN
Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@@H]3CC(=O)c4cc(F)ccc4O3)CC2)n[nH]1	ZINC000012087399	556400646	/nfs/dbraw/zinc/40/06/46/556400646.db2.gz	MJDGACOJHJQWBQ-QFIPXVFZSA-N	0	1	437.475	3.144	40	0		IGABMN
COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cn(C)nc4C)[nH]n3)C1)O2	ZINC000012088350	556401260	/nfs/dbraw/zinc/40/12/60/556401260.db2.gz	CVXUVICYFUQSPP-NPMXOYFQSA-N	0	1	449.511	3.013	40	0		IGABMN
COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1	ZINC000039761701	556436757	/nfs/dbraw/zinc/43/67/57/556436757.db2.gz	RLGNHDBBYPCJLU-UHFFFAOYSA-N	0	1	427.520	3.443	40	0		IGABMN
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cc1C	ZINC000019214312	556711011	/nfs/dbraw/zinc/71/10/11/556711011.db2.gz	WRMFSOHPFLHOTQ-NRFANRHFSA-N	0	1	444.601	3.069	40	0		IGABMN
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cc1C	ZINC000019214312	556711015	/nfs/dbraw/zinc/71/10/15/556711015.db2.gz	WRMFSOHPFLHOTQ-NRFANRHFSA-N	0	1	444.601	3.069	40	0		IGABMN
NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(Cc4ccc(Cl)cc4)CC3)no2)C1	ZINC000019333804	556737991	/nfs/dbraw/zinc/73/79/91/556737991.db2.gz	WSBOBKHJLDJSES-QGZVFWFLSA-N	0	1	430.936	3.045	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019400154	556752915	/nfs/dbraw/zinc/75/29/15/556752915.db2.gz	PCZAZXFNIVILEE-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019400154	556752916	/nfs/dbraw/zinc/75/29/16/556752916.db2.gz	PCZAZXFNIVILEE-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019406435	556755152	/nfs/dbraw/zinc/75/51/52/556755152.db2.gz	BLKHOGLHSQQNKI-FQEVSTJZSA-N	0	1	426.586	3.428	40	0		IGABMN
CC(C)NC(=O)[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCCCC2)n1	ZINC000019450124	556760971	/nfs/dbraw/zinc/76/09/71/556760971.db2.gz	SXYYTUHFEIJLNH-OALUTQOASA-N	0	1	443.542	3.485	40	0		IGABMN
CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cc(C(C)C)[nH]n2)CCO1	ZINC000019451873	556762642	/nfs/dbraw/zinc/76/26/42/556762642.db2.gz	IKSHSROMHWOHDV-SANMLTNESA-N	0	1	446.551	3.400	40	0		IGABMN
COc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1OC	ZINC000019497336	556770034	/nfs/dbraw/zinc/77/00/34/556770034.db2.gz	BOCARGOMVYVZFV-IAGOWNOFSA-N	0	1	442.560	3.056	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)[n-]n3c(=O)c2C1	ZINC000019500287	556772281	/nfs/dbraw/zinc/77/22/81/556772281.db2.gz	VBSFJYDJMRYICQ-YJBOKZPZSA-N	0	1	425.577	3.344	40	0		IGABMN
CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)n1	ZINC000019525154	556782721	/nfs/dbraw/zinc/78/27/21/556782721.db2.gz	YOZRVHXEFDOJAR-OAQYLSRUSA-N	0	1	438.576	3.457	40	0		IGABMN
CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)n1	ZINC000019525154	556782724	/nfs/dbraw/zinc/78/27/24/556782724.db2.gz	YOZRVHXEFDOJAR-OAQYLSRUSA-N	0	1	438.576	3.457	40	0		IGABMN
CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cnn(C)c2)C1	ZINC000019530081	556791270	/nfs/dbraw/zinc/79/12/70/556791270.db2.gz	IGHUZOYNVWEOHN-NZQKXSOJSA-N	0	1	428.508	3.288	40	0		IGABMN
COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2	ZINC000019562217	556803800	/nfs/dbraw/zinc/80/38/00/556803800.db2.gz	KWOFTCDBFNKTBP-LEWJYISDSA-N	0	1	441.524	3.241	40	0		IGABMN
CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCCc3ccc(F)cc3)c2C1	ZINC000019711303	556875529	/nfs/dbraw/zinc/87/55/29/556875529.db2.gz	XUHXVUROCHWORY-IBGZPJMESA-N	0	1	425.552	3.374	40	0		IGABMN
Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1	ZINC000019741278	556883144	/nfs/dbraw/zinc/88/31/44/556883144.db2.gz	ITUZMYJIUMRAEU-OAQYLSRUSA-N	0	1	447.583	3.066	40	0		IGABMN
Nc1[nH]nc2nc([C@H]3CCCN3S(=O)(=O)Cc3ccccc3)cc(C(F)(F)F)c12	ZINC000019742559	556886471	/nfs/dbraw/zinc/88/64/71/556886471.db2.gz	KLTFFYMQZFXGFD-CQSZACIVSA-N	0	1	425.436	3.226	40	0		IGABMN
Cc1nc([C@@H]2CCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2Cc1ccc(F)cc1	ZINC000019743175	556887624	/nfs/dbraw/zinc/88/76/24/556887624.db2.gz	UDOQZUKUAPWICX-IBGZPJMESA-N	0	1	434.475	3.104	40	0		IGABMN
COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(C(=O)c5ccn[nH]5)C4)nc32)cc1	ZINC000019753066	556896930	/nfs/dbraw/zinc/89/69/30/556896930.db2.gz	LNNZCRRTQZEBAB-IBGZPJMESA-N	0	1	446.555	3.489	40	0		IGABMN
CNC(=O)c1cnc(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1	ZINC000019757147	556901306	/nfs/dbraw/zinc/90/13/06/556901306.db2.gz	PJTSKZBZVAVSNT-UHFFFAOYSA-N	0	1	446.555	3.065	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3F)CC2)o1	ZINC000072344891	556915887	/nfs/dbraw/zinc/91/58/87/556915887.db2.gz	SCLPUBMPPFVQNK-LJQANCHMSA-N	0	1	436.553	3.465	40	0		IGABMN
CCn1cc(CN2CCC(Cc3nn(C)cc3C(=O)NCc3ccc(F)cc3)CC2)cn1	ZINC000072352125	556923061	/nfs/dbraw/zinc/92/30/61/556923061.db2.gz	NCUVWTOHEZJOAM-UHFFFAOYSA-N	0	1	438.551	3.160	40	0		IGABMN
Cc1nonc1CC(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000072371513	556939426	/nfs/dbraw/zinc/93/94/26/556939426.db2.gz	WBFVPHGKFRRJSZ-AWEZNQCLSA-N	0	1	449.433	3.300	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000072371577	556939482	/nfs/dbraw/zinc/93/94/82/556939482.db2.gz	JKGRNBJHQAOIIS-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1	ZINC000072375056	556950477	/nfs/dbraw/zinc/95/04/77/556950477.db2.gz	JRELOLNVRWKKGJ-KRWDZBQOSA-N	0	1	426.546	3.139	40	0		IGABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)n1	ZINC000020049905	556974562	/nfs/dbraw/zinc/97/45/62/556974562.db2.gz	PYQUCBJAAQOTFO-OAHLLOKOSA-N	0	1	444.488	3.439	40	0		IGABMN
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000098071763	557232867	/nfs/dbraw/zinc/23/28/67/557232867.db2.gz	UDUFBKMRXQHEGQ-UHFFFAOYSA-N	0	1	440.363	3.010	40	0		IGABMN
O=C(C1CCC1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233792	557250879	/nfs/dbraw/zinc/25/08/79/557250879.db2.gz	GUBOVYAFAHRIHK-JOCHJYFZSA-N	0	1	446.555	3.242	40	0		IGABMN
O=C(C1CCC1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233792	557250882	/nfs/dbraw/zinc/25/08/82/557250882.db2.gz	GUBOVYAFAHRIHK-JOCHJYFZSA-N	0	1	446.555	3.242	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccccc4OC)[n-]n3c(=O)c2C1	ZINC000100233957	557252028	/nfs/dbraw/zinc/25/20/28/557252028.db2.gz	IKOIUCIYGCUSJP-OAQYLSRUSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234330	557252953	/nfs/dbraw/zinc/25/29/53/557252953.db2.gz	GVYHKJMTUSQYBO-OAQYLSRUSA-N	0	1	437.519	3.452	40	0		IGABMN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1	ZINC000013566172	557344153	/nfs/dbraw/zinc/34/41/53/557344153.db2.gz	ZSDUFSAHDFDNBQ-UHFFFAOYSA-N	0	1	445.526	3.347	40	0		IGABMN
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000111892449	557368744	/nfs/dbraw/zinc/36/87/44/557368744.db2.gz	PONKPSIVZFDZPI-UHFFFAOYSA-N	0	1	426.498	3.220	40	0		IGABMN
COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1	ZINC000223170115	557441290	/nfs/dbraw/zinc/44/12/90/557441290.db2.gz	BYDIALLTYCJEPG-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(C)cc2)c1	ZINC000016681603	557475143	/nfs/dbraw/zinc/47/51/43/557475143.db2.gz	OYOHQKYFBOJVIP-UHFFFAOYSA-N	0	1	425.529	3.331	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)COc3ccccc3C)s2)c1	ZINC000224374747	557599135	/nfs/dbraw/zinc/59/91/35/557599135.db2.gz	LTBUDJWNUWEBRT-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(C)cc3C)s2)cc1	ZINC000225171152	557695851	/nfs/dbraw/zinc/69/58/51/557695851.db2.gz	NYLPUFKCAZYLMU-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
COc1cc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc(OC)c1OC	ZINC000225210473	557700635	/nfs/dbraw/zinc/70/06/35/557700635.db2.gz	YMYLURJBBGHRPR-UHFFFAOYSA-N	0	1	427.570	3.194	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCSC2CCCCC2)s1)c1ccccc1	ZINC000225571624	557744627	/nfs/dbraw/zinc/74/46/27/557744627.db2.gz	ASWROZOAUMKOIQ-UHFFFAOYSA-N	0	1	426.589	3.135	40	0		IGABMN
COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1	ZINC000061992832	557829723	/nfs/dbraw/zinc/82/97/23/557829723.db2.gz	HDQONPFINLODRO-LFIKFTOSSA-N	0	1	440.584	3.102	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1	ZINC000061997563	557829967	/nfs/dbraw/zinc/82/99/67/557829967.db2.gz	ZXBPYNJHTIRHRM-GIPUWTIZSA-N	0	1	440.584	3.102	40	0		IGABMN
Cc1nc(-c2ccco2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)n1	ZINC000015672590	560095580	/nfs/dbraw/zinc/09/55/80/560095580.db2.gz	PDEWTZIUQCMRPS-UHOSZYNNSA-N	0	1	446.507	3.382	40	0	biogenic,in-vitro	IGABMN
Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)n1	ZINC000015672590	560095581	/nfs/dbraw/zinc/09/55/81/560095581.db2.gz	PDEWTZIUQCMRPS-UHOSZYNNSA-N	0	1	446.507	3.382	40	0	biogenic,in-vitro	IGABMN
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000011616768	560211430	/nfs/dbraw/zinc/21/14/30/560211430.db2.gz	FBVFZWUMDDXLLG-QZTJIDSGSA-N	0	1	426.586	3.374	40	0	in-vitro	IGABMN
Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)c(C)c1	ZINC000585272938	568617974	/nfs/dbraw/zinc/61/79/74/568617974.db2.gz	LABLWAHKHYCPFI-VWLOTQADSA-N	0	1	426.557	3.094	40	0		IGABMN
Cc1nc2cc([C@H]3CCC[N@H+]3C3CCOCC3)[n-]n2c(=O)c1CCC(=O)N1CCCCC1	ZINC000257211601	568670336	/nfs/dbraw/zinc/67/03/36/568670336.db2.gz	BZMRUALNURYETE-OAQYLSRUSA-N	0	1	441.576	3.004	40	0		IGABMN
O=C(Cn1cnc2ccccc21)N1CCO[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1	ZINC000257216601	568672921	/nfs/dbraw/zinc/67/29/21/568672921.db2.gz	CVGVRXIHEYIFIN-QHCPKHFHSA-N	0	1	449.486	3.120	40	0		IGABMN
CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1	ZINC000257245988	568686583	/nfs/dbraw/zinc/68/65/83/568686583.db2.gz	IRZGUILKSVMISE-AWEZNQCLSA-N	0	1	436.915	3.469	40	0		IGABMN
CNc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)s1	ZINC000257247763	568687307	/nfs/dbraw/zinc/68/73/07/568687307.db2.gz	JAISWCKLJYRNNA-GOSISDBHSA-N	0	1	445.520	3.191	40	0		IGABMN
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC[C@@H]2O)c1	ZINC000257284427	568704170	/nfs/dbraw/zinc/70/41/70/568704170.db2.gz	PCRFZDWXPBJVJH-VXKWHMMOSA-N	0	1	425.460	3.269	40	0		IGABMN
O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1	ZINC000257300787	568711551	/nfs/dbraw/zinc/71/15/51/568711551.db2.gz	RVQXOXYNSKDRIZ-QFIPXVFZSA-N	0	1	432.528	3.355	40	0		IGABMN
Cn1c(COCC(=O)N2CCC[C@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)nc2ccccc21	ZINC000257303322	568712744	/nfs/dbraw/zinc/71/27/44/568712744.db2.gz	SGSWVDMWTXTYCR-FQEVSTJZSA-N	0	1	448.502	3.302	40	0		IGABMN
Cn1c(COCC(=O)N2CCC[C@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)nc2ccccc21	ZINC000257303322	568712746	/nfs/dbraw/zinc/71/27/46/568712746.db2.gz	SGSWVDMWTXTYCR-FQEVSTJZSA-N	0	1	448.502	3.302	40	0		IGABMN
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@](C(N)=O)(c2ccccn2)C1	ZINC000257336135	568726808	/nfs/dbraw/zinc/72/68/08/568726808.db2.gz	YNIZSWZXDKYGBX-AREMUKBSSA-N	0	1	448.567	3.138	40	0		IGABMN
COc1cccc(NC(=O)[C@H]2CN(C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1	ZINC000306140917	568771938	/nfs/dbraw/zinc/77/19/38/568771938.db2.gz	VGSYYSLDSMGSJX-LJQANCHMSA-N	0	1	443.569	3.009	40	0		IGABMN
COc1cccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F	ZINC000247930604	569206568	/nfs/dbraw/zinc/20/65/68/569206568.db2.gz	ROFWNZLTZRLYSD-ZEYPLWLESA-N	0	1	427.520	3.478	40	0		IGABMN
COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F	ZINC000019567162	569227093	/nfs/dbraw/zinc/22/70/93/569227093.db2.gz	ROFWNZLTZRLYSD-AVCGJXAMSA-N	0	1	427.520	3.478	40	0		IGABMN
COc1cccc(-c2nccnc2[C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)c1	ZINC000019693391	569228821	/nfs/dbraw/zinc/22/88/21/569228821.db2.gz	PQCLNRJSISGROK-JOCHJYFZSA-N	0	1	447.539	3.287	40	0		IGABMN
Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2nc(CN(C)C)cc(N(C)C)n2)c1	ZINC000019760768	569237740	/nfs/dbraw/zinc/23/77/40/569237740.db2.gz	WLBNKPCVOWSFJP-FQEVSTJZSA-N	0	1	425.577	3.434	40	0		IGABMN
COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000033666061	569245615	/nfs/dbraw/zinc/24/56/15/569245615.db2.gz	QFCJDSDUYWNTOR-CPNJWEJPSA-N	0	1	435.480	3.081	40	0		IGABMN
CC(C)CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC(C)C)C(=O)C1	ZINC000253408928	569265601	/nfs/dbraw/zinc/26/56/01/569265601.db2.gz	YZPUHLSUFYWFAJ-GUBXLBAESA-N	0	1	441.616	3.473	40	0		IGABMN
O=C(NCc1ccco1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1	ZINC000008297601	569462535	/nfs/dbraw/zinc/46/25/35/569462535.db2.gz	DSGMFMYGPAPRFK-KPLVRAHFSA-N	0	1	437.569	3.190	40	0	biogenic,in-vitro	IGABMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1	ZINC000016681614	132357090	/nfs/dbraw/zinc/35/70/90/132357090.db2.gz	VHUHABSOQJHCLC-UHFFFAOYSA-N	0	1	441.528	3.275	40	0		IGABMN
CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000022508919	521925494	/nfs/dbraw/zinc/92/54/94/521925494.db2.gz	KEXJMZFEPJSIMN-OAHLLOKOSA-N	0	1	426.498	3.246	40	0		IGABMN
COc1cc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc(OC)c1	ZINC000012188591	522370176	/nfs/dbraw/zinc/37/01/76/522370176.db2.gz	VLDQATDJXQNHMX-UHFFFAOYSA-N	0	1	443.569	3.119	40	0		IGABMN
COc1cccc([C@@H]2CN(C(=O)CN(C)CCc3ccccc3)C[C@H]2c2csnn2)c1	ZINC000012163148	524121476	/nfs/dbraw/zinc/12/14/76/524121476.db2.gz	FJAANHBAYVFFEB-FCHUYYIVSA-N	0	1	436.581	3.431	40	0		IGABMN
COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc(C(=O)OC)c1	ZINC000408615662	555986793	/nfs/dbraw/zinc/98/67/93/555986793.db2.gz	BWHIZWNOYCRQHB-UHFFFAOYSA-N	0	1	448.280	3.376	40	0		IGABMN
COC(=O)Cc1sc(NC(=O)CSc2nc3c(C)c4ccccc4c-3n[nH]2)nc1C	ZINC000036618886	556527076	/nfs/dbraw/zinc/52/70/76/556527076.db2.gz	XPCIJGCXWKINDB-JTQLQIEISA-N	0	1	441.538	3.215	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3)cc2)n1	ZINC000033792722	556567829	/nfs/dbraw/zinc/56/78/29/556567829.db2.gz	USCOUVKLRRBWAB-UHFFFAOYSA-N	0	1	428.539	3.458	40	0		IGABMN
O=c1nc(N2CCOCC2)[nH]c2c1C(=Nc1ccccc1)SCC(c1ccccc1)=N2	ZINC000040385370	556635690	/nfs/dbraw/zinc/63/56/90/556635690.db2.gz	RPOBIWSKEFOJMA-UHFFFAOYSA-N	0	1	431.521	3.272	40	0		IGABMN
COc1cccc(-c2c3c(ccn(-c4nnc(C5CCCCC5)[nH]4)c3=O)nc3ncnn32)c1	ZINC000040398280	556640077	/nfs/dbraw/zinc/64/00/77/556640077.db2.gz	VCDGPQAQHNCXKZ-UHFFFAOYSA-N	0	1	442.483	3.270	40	0		IGABMN
COc1cccc(-c2c3c(ccn(-c4n[nH]c(C5CCCCC5)n4)c3=O)nc3ncnn32)c1	ZINC000040398280	556640079	/nfs/dbraw/zinc/64/00/79/556640079.db2.gz	VCDGPQAQHNCXKZ-UHFFFAOYSA-N	0	1	442.483	3.270	40	0		IGABMN
Cc1ccccc1CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C(C)C)CC4)CC1	ZINC000019237040	556721872	/nfs/dbraw/zinc/72/18/72/556721872.db2.gz	HIBCFOABQYWNPF-UHFFFAOYSA-N	0	1	447.583	3.459	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019238690	556724176	/nfs/dbraw/zinc/72/41/76/556724176.db2.gz	ZVHPIGVNPCHYON-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019238690	556724179	/nfs/dbraw/zinc/72/41/79/556724179.db2.gz	ZVHPIGVNPCHYON-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
COc1ccc(CCC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1	ZINC000019288971	556729135	/nfs/dbraw/zinc/72/91/35/556729135.db2.gz	QROQEANXJYOALM-UHFFFAOYSA-N	0	1	433.556	3.204	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[n-]n3c(=O)c2C1	ZINC000019448081	556757137	/nfs/dbraw/zinc/75/71/37/556757137.db2.gz	HBPMHYNRBCXIDE-QGZVFWFLSA-N	0	1	437.519	3.360	40	0		IGABMN
COc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1OC	ZINC000019497335	556769982	/nfs/dbraw/zinc/76/99/82/556769982.db2.gz	BOCARGOMVYVZFV-IRXDYDNUSA-N	0	1	442.560	3.056	40	0		IGABMN
CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1C	ZINC000019520949	556777700	/nfs/dbraw/zinc/77/77/00/556777700.db2.gz	JLAILPBPYVVNRG-HXUWFJFHSA-N	0	1	438.576	3.444	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@H]2O	ZINC000019563063	556803985	/nfs/dbraw/zinc/80/39/85/556803985.db2.gz	WDRBPAHSIAGERI-RTWAWAEBSA-N	0	1	441.524	3.241	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@@H]2O	ZINC000019563054	556804007	/nfs/dbraw/zinc/80/40/07/556804007.db2.gz	WDRBPAHSIAGERI-LEWJYISDSA-N	0	1	441.524	3.241	40	0		IGABMN
Cc1nn(C(C)C)c(C)c1CN1CCC2(CC1)CN(C(=O)c1cccs1)NC(=O)O2	ZINC000019577451	556815462	/nfs/dbraw/zinc/81/54/62/556815462.db2.gz	BAPBGKFQFXLDHI-UHFFFAOYSA-N	0	1	431.562	3.274	40	0		IGABMN
CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCc3ccccc3N3CCCC3)c2C1	ZINC000019711320	556875518	/nfs/dbraw/zinc/87/55/18/556875518.db2.gz	OVSDXFLIZTVOCQ-NRFANRHFSA-N	0	1	448.615	3.403	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CCC(=O)N2CC1CC1	ZINC000019740987	556882201	/nfs/dbraw/zinc/88/22/01/556882201.db2.gz	SBLIJNHJKPIEAO-OAQYLSRUSA-N	0	1	439.604	3.260	40	0		IGABMN
Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC(c2[nH]ncc2-c2ccncc2)CC1	ZINC000072334795	556907551	/nfs/dbraw/zinc/90/75/51/556907551.db2.gz	VSMDAXHQQCTCAF-UHFFFAOYSA-N	0	1	435.528	3.225	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(OC)c3)CC2)o1	ZINC000072344898	556915832	/nfs/dbraw/zinc/91/58/32/556915832.db2.gz	ITFOSTHPFHGVTL-FQEVSTJZSA-N	0	1	448.589	3.335	40	0		IGABMN
CCn1cc(CN2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(OC)cc3)CC2)cn1	ZINC000072352124	556923082	/nfs/dbraw/zinc/92/30/82/556923082.db2.gz	IOMIJSJKNYYGMO-UHFFFAOYSA-N	0	1	436.560	3.352	40	0		IGABMN
CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1	ZINC000072371331	556938284	/nfs/dbraw/zinc/93/82/84/556938284.db2.gz	YGXXGSTYSLGANG-HNNXBMFYSA-N	0	1	426.970	3.061	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)cn1	ZINC000072371641	556939820	/nfs/dbraw/zinc/93/98/20/556939820.db2.gz	BWXOGAVTJNHQOS-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1	ZINC000072375055	556950439	/nfs/dbraw/zinc/95/04/39/556950439.db2.gz	JRELOLNVRWKKGJ-QGZVFWFLSA-N	0	1	426.546	3.139	40	0		IGABMN
Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)C[C@H]2CC(C)(C)OC2=O)CC1	ZINC000072390495	556960921	/nfs/dbraw/zinc/96/09/21/556960921.db2.gz	KZSORNXRHUMQEL-INIZCTEOSA-N	0	1	442.535	3.039	40	0		IGABMN
Cc1noc(C)c1C(=O)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110211	557043510	/nfs/dbraw/zinc/04/35/10/557043510.db2.gz	XPRDSBVEBBUICZ-NHCUHLMSSA-N	0	1	445.523	3.110	40	0		IGABMN
Cc1nc(-c2nc(C(=O)N3CCCN(C)CC3)c3ccccn32)cn1Cc1ccccc1	ZINC000096155181	557179346	/nfs/dbraw/zinc/17/93/46/557179346.db2.gz	DDJBFZJDHVFISZ-UHFFFAOYSA-N	0	1	428.540	3.332	40	0		IGABMN
CC(C)CN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O	ZINC000096263510	557190986	/nfs/dbraw/zinc/19/09/86/557190986.db2.gz	ZUVFCQLZTQGVSX-UHFFFAOYSA-N	0	1	429.586	3.403	40	0		IGABMN
CCOc1ccc(CN2CCC([C@@H](NC(=O)COC)c3ccccn3)CC2)cc1OC	ZINC000057773995	557263592	/nfs/dbraw/zinc/26/35/92/557263592.db2.gz	XIDQQCBTBYRSAS-XMMPIXPASA-N	0	1	427.545	3.205	40	0		IGABMN
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1	ZINC000019522966	557501469	/nfs/dbraw/zinc/50/14/69/557501469.db2.gz	GPDKPDGPRQLMQV-QHCPKHFHSA-N	0	1	449.603	3.309	40	0		IGABMN
COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	ZINC000223848709	557520589	/nfs/dbraw/zinc/52/05/89/557520589.db2.gz	YGZLPMBETZJXOU-UHFFFAOYSA-N	0	1	446.525	3.360	40	0		IGABMN
COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1	ZINC000223906226	557527455	/nfs/dbraw/zinc/52/74/55/557527455.db2.gz	MQAHGWCVEFAFMC-UHFFFAOYSA-N	0	1	440.978	3.307	40	0		IGABMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1	ZINC000224542604	557619203	/nfs/dbraw/zinc/61/92/03/557619203.db2.gz	PTHQHWJSCXTMMI-NRFANRHFSA-N	0	1	440.477	3.275	40	0		IGABMN
CCCn1c2ccc(S(=O)(=O)NCCCN3CCc4ccccc4C3)cc2sc1=O	ZINC000225734191	557770477	/nfs/dbraw/zinc/77/04/77/557770477.db2.gz	FSOWOIFTQWIGQW-UHFFFAOYSA-N	0	1	445.610	3.200	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCCC2)s1	ZINC000225879237	557788216	/nfs/dbraw/zinc/78/82/16/557788216.db2.gz	ZDTCZMMVQVTYCR-UHFFFAOYSA-N	0	1	438.575	3.117	40	0		IGABMN
O=C1O[C@]2(CN1CCc1ccccc1)CCCN(Cc1ccnc(N3CCCC3)n1)CC2	ZINC000257266550	568696130	/nfs/dbraw/zinc/69/61/30/568696130.db2.gz	MDMAYYXOLJJXHF-RUZDIDTESA-N	0	1	435.572	3.496	40	0		IGABMN
CCn1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1	ZINC000257290747	568707089	/nfs/dbraw/zinc/70/70/89/568707089.db2.gz	QEDLHBMFGUWDMI-HXUWFJFHSA-N	0	1	429.908	3.115	40	0		IGABMN
C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(=O)[O-])[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O	ZINC000257304726	568713573	/nfs/dbraw/zinc/71/35/73/568713573.db2.gz	SMXVSSCWUUGFGJ-KJXAQDMKSA-N	0	1	428.529	3.245	40	0		IGABMN
O=C(COc1ccc(F)cc1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705057	569233854	/nfs/dbraw/zinc/23/38/54/569233854.db2.gz	LVXBNQAZVLOPMG-INIZCTEOSA-N	0	1	446.486	3.499	40	0		IGABMN
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCc3ccccc32)cc1	ZINC000008635720	291360260	/nfs/dbraw/zinc/36/02/60/291360260.db2.gz	UEKHESCWLXFDCJ-BHDDXSALSA-N	0	1	425.598	3.046	40	0	biogenic,in-vitro	IGABMN
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCc3ccccc32)cc1	ZINC000008635720	291360263	/nfs/dbraw/zinc/36/02/63/291360263.db2.gz	UEKHESCWLXFDCJ-BHDDXSALSA-N	0	1	425.598	3.046	40	0	biogenic,in-vitro	IGABMN
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2	ZINC000022805053	520685304	/nfs/dbraw/zinc/68/53/04/520685304.db2.gz	BZRSTTSQTVDAQJ-IWVMGURDSA-N	0	1	430.589	3.125	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000070670115	526237625	/nfs/dbraw/zinc/23/76/25/526237625.db2.gz	CCINPNZGQSKDQW-LABLHSEPSA-N	0	1	428.548	3.233	40	0		IGABMN
O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1	ZINC000041689849	526283250	/nfs/dbraw/zinc/28/32/50/526283250.db2.gz	PATSINVCZKLCSB-QRUZDJRHSA-N	0	1	432.580	3.311	40	0		IGABMN
COc1ccc(OC)c(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)c1	ZINC000408638002	556015496	/nfs/dbraw/zinc/01/54/96/556015496.db2.gz	PJDSJWFUORQFCF-UHFFFAOYSA-N	0	1	430.486	3.237	40	0		IGABMN
COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000014224224	556393737	/nfs/dbraw/zinc/39/37/37/556393737.db2.gz	LELUWKXBRORLKH-UHFFFAOYSA-N	0	1	436.486	3.436	40	0		IGABMN
COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cn(C)nc4C)[nH]n3)C1)O2	ZINC000012088349	556401136	/nfs/dbraw/zinc/40/11/36/556401136.db2.gz	CVXUVICYFUQSPP-CMJOXMDJSA-N	0	1	449.511	3.013	40	0		IGABMN
CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000044948333	556683823	/nfs/dbraw/zinc/68/38/23/556683823.db2.gz	IKKWWVVEJIBWFE-UHFFFAOYSA-N	0	1	426.498	3.166	40	0		IGABMN
COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1	ZINC000019085753	556699725	/nfs/dbraw/zinc/69/97/25/556699725.db2.gz	TZEUDCAKDPQMKQ-RUZDIDTESA-N	0	1	437.584	3.486	40	0		IGABMN
CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2cccc3c2OCO3)CC1	ZINC000257216903	556703068	/nfs/dbraw/zinc/70/30/68/556703068.db2.gz	CWPKJSGNIJRJDX-RUZDIDTESA-N	0	1	440.540	3.290	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000257224788	556708286	/nfs/dbraw/zinc/70/82/86/556708286.db2.gz	FDIUXCHUXULCGC-VDKIKQQVSA-N	0	1	426.532	3.129	40	0		IGABMN
O=C(Cn1cnc2ccccc21)N1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1	ZINC000257301098	556717401	/nfs/dbraw/zinc/71/74/01/556717401.db2.gz	RWZGSTWYYZGLSQ-QHCPKHFHSA-N	0	1	449.486	3.120	40	0		IGABMN
Cc1ccn(C[C@@H](C)C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)n1	ZINC000019238012	556722869	/nfs/dbraw/zinc/72/28/69/556722869.db2.gz	URRONVXSCRIRPF-QGZVFWFLSA-N	0	1	438.551	3.148	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@@H]1Cc1ccccc1	ZINC000019370536	556747769	/nfs/dbraw/zinc/74/77/69/556747769.db2.gz	BJLGZTLZMLYDDH-XZOQPEGZSA-N	0	1	448.611	3.383	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1	ZINC000019370578	556747815	/nfs/dbraw/zinc/74/78/15/556747815.db2.gz	CKWMPJGBGYXWIU-QHCPKHFHSA-N	0	1	448.611	3.240	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2	ZINC000019400160	556752889	/nfs/dbraw/zinc/75/28/89/556752889.db2.gz	JEWDLFQPJHRDLS-FQEVSTJZSA-N	0	1	435.553	3.152	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[n-]n3c(=O)c2C1	ZINC000019448083	556756939	/nfs/dbraw/zinc/75/69/39/556756939.db2.gz	HBPMHYNRBCXIDE-KRWDZBQOSA-N	0	1	437.519	3.360	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000019448091	556757248	/nfs/dbraw/zinc/75/72/48/556757248.db2.gz	OEUNWDXNQQKSOG-INIZCTEOSA-N	0	1	437.519	3.360	40	0		IGABMN
C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCCC2)CC4)CC1	ZINC000019462894	556767858	/nfs/dbraw/zinc/76/78/58/556767858.db2.gz	CKBKQPDEGHBWTI-VQIMIIECSA-N	0	1	437.588	3.488	40	0		IGABMN
CCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O	ZINC000019527686	556786988	/nfs/dbraw/zinc/78/69/88/556786988.db2.gz	OFVFOXFOAHKUBN-LJQANCHMSA-N	0	1	432.524	3.249	40	0		IGABMN
COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C)c2C)c1	ZINC000019553508	556797297	/nfs/dbraw/zinc/79/72/97/556797297.db2.gz	TXOIMJDZWHMXQN-XZOQPEGZSA-N	0	1	434.540	3.144	40	0		IGABMN
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000226721329	556808768	/nfs/dbraw/zinc/80/87/68/556808768.db2.gz	OQBXJQCEXOYVTF-VRKOAZSQSA-N	0	1	430.589	3.125	40	0		IGABMN
COCCc1ncc(CN2CCC(c3ccc(-c4ccc(C(N)=O)cc4)cn3)CC2)cn1	ZINC000019688075	556842708	/nfs/dbraw/zinc/84/27/08/556842708.db2.gz	NMZZKCLYLYHDOH-UHFFFAOYSA-N	0	1	431.540	3.206	40	0		IGABMN
Cc1nc([C@H]2CCN(C(=O)CN3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1	ZINC000019753222	556896954	/nfs/dbraw/zinc/89/69/54/556896954.db2.gz	GETPTKAIMIHJCW-INIZCTEOSA-N	0	1	427.936	3.102	40	0		IGABMN
CC(C)c1ncc(CN2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1	ZINC000019761842	556905633	/nfs/dbraw/zinc/90/56/33/556905633.db2.gz	YYUNTDMFGZPESX-LJQANCHMSA-N	0	1	433.556	3.202	40	0		IGABMN
CCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)cn1	ZINC000072344821	556915599	/nfs/dbraw/zinc/91/55/99/556915599.db2.gz	OIFXIIBLICWMMN-IBGZPJMESA-N	0	1	434.544	3.308	40	0		IGABMN
O=C1NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(I)c2)N1	ZINC000409044933	556930361	/nfs/dbraw/zinc/93/03/61/556930361.db2.gz	DLQASIOHHPBVQJ-RIYZIHGNSA-N	0	1	438.196	3.190	40	0		IGABMN
Cc1cnc2c(C(=O)N3CC[C@@H](c4cc(CCOc5ccccc5F)[nH]n4)C3)cnn2c1	ZINC000072371672	556940102	/nfs/dbraw/zinc/94/01/02/556940102.db2.gz	SFQSWOUJFMRTJT-MRXNPFEDSA-N	0	1	434.475	3.151	40	0		IGABMN
COc1cccc(CCCNc2nc([C@H]3CCCN(C)C3)nc3c2CCN(C(C)=O)C3)c1	ZINC000072373396	556946525	/nfs/dbraw/zinc/94/65/25/556946525.db2.gz	RDMXSZOLJYWNJB-FQEVSTJZSA-N	0	1	437.588	3.244	40	0		IGABMN
O=C(CN1CCCC1)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1	ZINC000257233011	556984823	/nfs/dbraw/zinc/98/48/23/556984823.db2.gz	GNIZGKCSBUPHPS-IYARVYRRSA-N	0	1	443.613	3.109	40	0		IGABMN
COc1ccccc1N1C(=O)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409287376	557050992	/nfs/dbraw/zinc/05/09/92/557050992.db2.gz	UOKYTFLQGNSLMY-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409287376	557050995	/nfs/dbraw/zinc/05/09/95/557050995.db2.gz	UOKYTFLQGNSLMY-SFTDATJTSA-N	0	1	445.427	3.020	40	0		IGABMN
CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233687	557251068	/nfs/dbraw/zinc/25/10/68/557251068.db2.gz	NXDSENOAJOHQGS-IEBWSBKVSA-N	0	1	448.571	3.140	40	0		IGABMN
Cc1cnccc1C[N@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100233924	557251601	/nfs/dbraw/zinc/25/16/01/557251601.db2.gz	WTZVVWDOMCIPNT-QFIPXVFZSA-N	0	1	446.555	3.160	40	0		IGABMN
CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCC[N@H+]4Cc4cccc(OC)c4)[n-]n3c2=O)C1	ZINC000100234105	557252331	/nfs/dbraw/zinc/25/23/31/557252331.db2.gz	CTMIWJHMIAAYIL-QFIPXVFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCC[N@H+]4Cc4cccnc4)[n-]n3c2=O)C1	ZINC000100234101	557252531	/nfs/dbraw/zinc/25/25/31/557252531.db2.gz	MMKGEQNWNJGPJX-OAQYLSRUSA-N	0	1	434.544	3.098	40	0		IGABMN
O=S(=O)(Nc1ccc(Br)cc1)c1ccn(S(=O)(=O)c2ccccc2)c1	ZINC000013585716	557355764	/nfs/dbraw/zinc/35/57/64/557355764.db2.gz	VWSBNLDZUMNUMH-UHFFFAOYSA-N	0	1	441.328	3.288	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)CCc3ccccc3)s2)c1	ZINC000222635912	557366503	/nfs/dbraw/zinc/36/65/03/557366503.db2.gz	YROUCAAWADSYKV-HNNXBMFYSA-N	0	1	430.555	3.398	40	0		IGABMN
COc1ccccc1S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1	ZINC000072371759	557388343	/nfs/dbraw/zinc/38/83/43/557388343.db2.gz	BIAFCMOJIXOVSP-INIZCTEOSA-N	0	1	445.516	3.357	40	0		IGABMN
COc1ccccc1S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1	ZINC000072371760	557388401	/nfs/dbraw/zinc/38/84/01/557388401.db2.gz	BIAFCMOJIXOVSP-MRXNPFEDSA-N	0	1	445.516	3.357	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3cccc(C)c3)s2)cc1	ZINC000223088845	557429738	/nfs/dbraw/zinc/42/97/38/557429738.db2.gz	DYJBBDCRYQPLHN-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)CCc3ccccc3)s2)cc1	ZINC000223499890	557479770	/nfs/dbraw/zinc/47/97/70/557479770.db2.gz	GDUXXSXDYHGKTI-HNNXBMFYSA-N	0	1	430.555	3.398	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC3CCCC3)s2)c1	ZINC000225063214	557684360	/nfs/dbraw/zinc/68/43/60/557684360.db2.gz	HNNCAJHWADJVPK-UHFFFAOYSA-N	0	1	426.589	3.053	40	0		IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1	ZINC000225064729	557684648	/nfs/dbraw/zinc/68/46/48/557684648.db2.gz	PYWZNMZBIYIVMF-UHFFFAOYSA-N	0	1	449.023	3.388	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1	ZINC000225096961	557687487	/nfs/dbraw/zinc/68/74/87/557687487.db2.gz	FYACMQGATQJBJI-UHFFFAOYSA-N	0	1	436.946	3.273	40	0		IGABMN
CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000225166949	557695241	/nfs/dbraw/zinc/69/52/41/557695241.db2.gz	RSHAUVLSAXQEOP-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCCC2)s1	ZINC000225216259	557701196	/nfs/dbraw/zinc/70/11/96/557701196.db2.gz	VQPPTLNSKOATRD-UHFFFAOYSA-N	0	1	440.616	3.443	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccccc2)s1)c1ccccc1	ZINC000225370360	557715269	/nfs/dbraw/zinc/71/52/69/557715269.db2.gz	LFBNQBNIFGYWEE-UHFFFAOYSA-N	0	1	434.568	3.002	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1	ZINC000225427330	557722114	/nfs/dbraw/zinc/72/21/14/557722114.db2.gz	NZQUOHQGLVKWTB-UHFFFAOYSA-N	0	1	432.571	3.346	40	0		IGABMN
CC(=O)Nc1ccc(NC(=O)CN2CC[N@H+](C)C[C@H](Cc3cccc4cccnc43)C2)cc1	ZINC000257225403	568676714	/nfs/dbraw/zinc/67/67/14/568676714.db2.gz	FGAXLBNLEJFTQE-FQEVSTJZSA-N	0	1	445.567	3.238	40	0		IGABMN
COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@H]3CCCN4C(C)=O)n[nH]2)c1	ZINC000257269264	568697142	/nfs/dbraw/zinc/69/71/42/568697142.db2.gz	MPGLPRBIPJPOMV-GGAORHGYSA-N	0	1	426.517	3.100	40	0		IGABMN
CC1CCN(c2ncc(CN3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn2)CC1	ZINC000257308400	568714887	/nfs/dbraw/zinc/71/48/87/568714887.db2.gz	TWPLRSIEVYRWAJ-QGZVFWFLSA-N	0	1	436.585	3.411	40	0		IGABMN
O=C(CCOc1cccc(F)c1)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCC2)C1	ZINC000257321415	568720553	/nfs/dbraw/zinc/72/05/53/568720553.db2.gz	WBOVANSSWABVQM-KRWDZBQOSA-N	0	1	428.508	3.350	40	0		IGABMN
CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3ccc4[nH]c(C)nc4c3)CC[C@H]21	ZINC000257327782	568723292	/nfs/dbraw/zinc/72/32/92/568723292.db2.gz	XCSNYVUZPPZBQA-PQNGQFLHSA-N	0	1	431.540	3.146	40	0		IGABMN
CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2ccccn2)c1	ZINC000257331587	568725179	/nfs/dbraw/zinc/72/51/79/568725179.db2.gz	XTMZGIKUDCDIFC-VWLOTQADSA-N	0	1	430.552	3.093	40	0		IGABMN
CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2	ZINC000306134251	568768118	/nfs/dbraw/zinc/76/81/18/568768118.db2.gz	NHBCXDJTYQXQIX-NRFANRHFSA-N	0	1	435.568	3.089	40	0		IGABMN
CC(C)n1cnc([C@H]2CN(Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1	ZINC000306142647	568772904	/nfs/dbraw/zinc/77/29/04/568772904.db2.gz	XFLOQYHMFOJVGT-XXBNENTESA-N	0	1	436.585	3.334	40	0		IGABMN
COC(=O)C1C(CSc2ccc(OC)cc2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000013566243	568905159	/nfs/dbraw/zinc/90/51/59/568905159.db2.gz	NRSGEHNHKKALQX-FQEVSTJZSA-N	0	1	444.509	3.286	40	0		IGABMN
Cc1ccc(NC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]23)c(-c2nnc(C3CC3)[nH]2)c1	ZINC000195529379	569140314	/nfs/dbraw/zinc/14/03/14/569140314.db2.gz	IGUHXCBHWKFHMC-YQVWRLOYSA-N	0	1	440.573	3.322	40	0		IGABMN
COc1cc(N2CCCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O	ZINC000007495370	569218694	/nfs/dbraw/zinc/21/86/94/569218694.db2.gz	KFNZYHFJEWYGDU-SFQUDFHCSA-N	0	1	427.501	3.099	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000019370563	569226676	/nfs/dbraw/zinc/22/66/76/569226676.db2.gz	WBWDNJZROYXUKM-XZOQPEGZSA-N	0	1	448.611	3.240	40	0		IGABMN
O=C(COc1ccccc1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705020	569233763	/nfs/dbraw/zinc/23/37/63/569233763.db2.gz	PFXDSDFCGCJFSQ-QGZVFWFLSA-N	0	1	428.496	3.360	40	0		IGABMN
COc1cccc(CC(=O)N2CC[C@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)c1	ZINC000019704943	569233800	/nfs/dbraw/zinc/23/38/00/569233800.db2.gz	HVLHOFXNLCCYMR-KRWDZBQOSA-N	0	1	435.528	3.116	40	0		IGABMN
Cc1nc([C@@H]2CCN(C(=O)CN3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1	ZINC000019757956	569237407	/nfs/dbraw/zinc/23/74/07/569237407.db2.gz	FCCAHIMHUNFCEB-QGZVFWFLSA-N	0	1	441.963	3.493	40	0		IGABMN
Cc1ccc(N2C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)c(C)c1	ZINC000033552313	569244438	/nfs/dbraw/zinc/24/44/38/569244438.db2.gz	NDYCHJCNZVOUTL-LICLKQGHSA-N	0	1	432.505	3.415	40	0		IGABMN
O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1CC(c1ccccc1)c1ccccc1	ZINC000008931731	569292586	/nfs/dbraw/zinc/29/25/86/569292586.db2.gz	JVESHZXYSZWELV-QFIPXVFZSA-N	0	1	428.488	3.465	40	0		IGABMN
CCN(CC)Cc1c(C)onc1C(=O)N1CC[C@H](c2cc(C(=O)NC)c3ccccc3n2)C1	ZINC000019761144	193913367	/nfs/dbraw/zinc/91/33/67/193913367.db2.gz	LWRGCOKRVBHIAJ-KRWDZBQOSA-N	0	1	449.555	3.362	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035843180	521731089	/nfs/dbraw/zinc/73/10/89/521731089.db2.gz	WFDQUOKRUGEQJS-ZUVQJFRASA-N	0	1	429.520	3.149	40	0		IGABMN
COc1ccccc1N1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1	ZINC000041689876	524558002	/nfs/dbraw/zinc/55/80/02/524558002.db2.gz	OTOWMTLJJGEOJP-IEFUJUGPSA-N	0	1	444.616	3.180	40	0		IGABMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844066	526213769	/nfs/dbraw/zinc/21/37/69/526213769.db2.gz	KAGCDJKHLXHNNM-AGFSROSKSA-N	0	1	435.911	3.388	40	0		IGABMN
COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cn(C)nc4C)[nH]n3)C1)O2	ZINC000012088348	556401246	/nfs/dbraw/zinc/40/12/46/556401246.db2.gz	CVXUVICYFUQSPP-IQMFZBJNSA-N	0	1	449.511	3.013	40	0		IGABMN
CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1	ZINC000257322472	556704540	/nfs/dbraw/zinc/70/45/40/556704540.db2.gz	WGCRHMBDKIOMJE-DEOSSOPVSA-N	0	1	430.552	3.093	40	0		IGABMN
CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000257237889	556710051	/nfs/dbraw/zinc/71/00/51/556710051.db2.gz	HIRVHPXNSBQTAO-RUZDIDTESA-N	0	1	426.557	3.440	40	0		IGABMN
Cn1c2ccc(C[N@@H+]3CCC[C@@H](c4cc(=O)[n-]c(-c5cccs5)n4)C3)cc2n(C)c1=O	ZINC000019289795	556729656	/nfs/dbraw/zinc/72/96/56/556729656.db2.gz	VCVGEAVBKNLKNE-MRXNPFEDSA-N	0	1	435.553	3.068	40	0		IGABMN
Cn1c2ccc(C[N@H+]3CCC[C@@H](c4cc(=O)[n-]c(-c5cccs5)n4)C3)cc2n(C)c1=O	ZINC000019289795	556729658	/nfs/dbraw/zinc/72/96/58/556729658.db2.gz	VCVGEAVBKNLKNE-MRXNPFEDSA-N	0	1	435.553	3.068	40	0		IGABMN
O=C(COc1ccc(F)c(Cl)c1)N1CCC(c2[nH]ncc2C(=O)N2CCCC2)CC1	ZINC000019293125	556732507	/nfs/dbraw/zinc/73/25/07/556732507.db2.gz	MCZPBAMZHDAZDT-UHFFFAOYSA-N	0	1	434.899	3.223	40	0		IGABMN
OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1Cc1cccc(F)c1	ZINC000019293847	556733302	/nfs/dbraw/zinc/73/33/02/556733302.db2.gz	MEQNRTKQTRVHOE-JOCHJYFZSA-N	0	1	436.535	3.409	40	0		IGABMN
O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019337652	556738991	/nfs/dbraw/zinc/73/89/91/556738991.db2.gz	KNQYOBBTZZZJTK-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019337652	556738995	/nfs/dbraw/zinc/73/89/95/556738995.db2.gz	KNQYOBBTZZZJTK-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019370987	556748485	/nfs/dbraw/zinc/74/84/85/556748485.db2.gz	OQBXJQCEXOYVTF-BBLPPJRLSA-N	0	1	430.589	3.125	40	0		IGABMN
O=C(NCc1cccs1)c1ccc2c(c1)nc1n(c2=O)CCN(Cc2ccccc2)CC1	ZINC000019372433	556748817	/nfs/dbraw/zinc/74/88/17/556748817.db2.gz	CTEUMYIGWPRYNQ-UHFFFAOYSA-N	0	1	444.560	3.446	40	0		IGABMN
O=C1CCCN1c1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)cc1	ZINC000019402915	556754298	/nfs/dbraw/zinc/75/42/98/556754298.db2.gz	QVSZGNDGBHUWGQ-UHFFFAOYSA-N	0	1	429.524	3.338	40	0		IGABMN
CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019447263	556756479	/nfs/dbraw/zinc/75/64/79/556756479.db2.gz	ASIMYWNLBNRJCN-RUZDIDTESA-N	0	1	431.540	3.319	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000019448085	556756995	/nfs/dbraw/zinc/75/69/95/556756995.db2.gz	FYZOVAYELSCZOB-QGZVFWFLSA-N	0	1	437.519	3.360	40	0		IGABMN
CC(C)NC(=O)[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1c1ccnc(N2CCCCC2)n1	ZINC000019449990	556760778	/nfs/dbraw/zinc/76/07/78/556760778.db2.gz	JKTASVMBWTZRKF-WOJBJXKFSA-N	0	1	443.542	3.485	40	0		IGABMN
CC(C)c1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)[nH]n1	ZINC000019451749	556762495	/nfs/dbraw/zinc/76/24/95/556762495.db2.gz	CPJKKODFYNMFIP-UHFFFAOYSA-N	0	1	446.555	3.475	40	0		IGABMN
C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCCC2)CC4)CC1	ZINC000019462890	556767915	/nfs/dbraw/zinc/76/79/15/556767915.db2.gz	CKBKQPDEGHBWTI-APWZRJJASA-N	0	1	437.588	3.488	40	0		IGABMN
COc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1	ZINC000001380631	556796976	/nfs/dbraw/zinc/79/69/76/556796976.db2.gz	ZRBZSAZNVIIHFG-UHFFFAOYSA-N	0	1	447.461	3.412	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cnn1C	ZINC000019553348	556797364	/nfs/dbraw/zinc/79/73/64/556797364.db2.gz	BLUBLLKWSQIERK-OAQYLSRUSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cnn1C	ZINC000019553348	556797366	/nfs/dbraw/zinc/79/73/66/556797366.db2.gz	BLUBLLKWSQIERK-OAQYLSRUSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1nc2ccccn2c1CN1CCC(c2cc(C(=O)NCc3cccnc3)on2)CC1	ZINC000019554931	556798428	/nfs/dbraw/zinc/79/84/28/556798428.db2.gz	BRBNKRPWLFHWOM-UHFFFAOYSA-N	0	1	430.512	3.335	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1	ZINC000019555534	556798802	/nfs/dbraw/zinc/79/88/02/556798802.db2.gz	YGTPUNJXFOOHSL-JOCHJYFZSA-N	0	1	445.523	3.121	40	0		IGABMN
COc1cccc2ccc(CN3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)nc21	ZINC000019568418	556808038	/nfs/dbraw/zinc/80/80/38/556808038.db2.gz	WURWJTHLFINQIY-HSZRJFAPSA-N	0	1	438.553	3.186	40	0		IGABMN
Cc1occc1-c1nc(N2CCC(CCN3CCOCC3)CC2)ncc1-c1cnccn1	ZINC000019583034	556820755	/nfs/dbraw/zinc/82/07/55/556820755.db2.gz	YWKLUSGVITVSGS-UHFFFAOYSA-N	0	1	434.544	3.441	40	0		IGABMN
CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCCN(C)c3ccccc3)c2C1	ZINC000019711329	556875554	/nfs/dbraw/zinc/87/55/54/556875554.db2.gz	IXHKJUNEHUKDRT-HXUWFJFHSA-N	0	1	436.604	3.129	40	0		IGABMN
Cc1nc(C2CCN(Cc3cccnc3N(C)C)CC2)nc2c1CCC(=O)N2CC1CC1	ZINC000019739356	556877476	/nfs/dbraw/zinc/87/74/76/556877476.db2.gz	FOYWBFHGAWOUOU-UHFFFAOYSA-N	0	1	434.588	3.315	40	0		IGABMN
Nc1[nH]nc2nc([C@@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12	ZINC000019742384	556886267	/nfs/dbraw/zinc/88/62/67/556886267.db2.gz	LFXHSVOYUWKAQP-AWEZNQCLSA-N	0	1	443.426	3.365	40	0		IGABMN
Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(Cc2cnc(N(C)C)nc2)CC1	ZINC000019746402	556892270	/nfs/dbraw/zinc/89/22/70/556892270.db2.gz	QUADXNRUGAZRFT-IBGZPJMESA-N	0	1	428.606	3.214	40	0		IGABMN
Cc1ccc(C(=O)N2CCC[C@H]2c2nc(CN(C)C)cc(N(C)C)n2)cc1N1CCCC1	ZINC000019760700	556904055	/nfs/dbraw/zinc/90/40/55/556904055.db2.gz	GWKZWUZHKIYFMY-NRFANRHFSA-N	0	1	436.604	3.490	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3OC)CC2)o1	ZINC000072344901	556915876	/nfs/dbraw/zinc/91/58/76/556915876.db2.gz	DCDDWUXFHLBDEG-LJQANCHMSA-N	0	1	448.589	3.335	40	0		IGABMN
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000072371777	556940810	/nfs/dbraw/zinc/94/08/10/556940810.db2.gz	DUKQWPUDTBNISZ-HNNXBMFYSA-N	0	1	449.964	3.203	40	0		IGABMN
COc1cccc(CCCNc2nc([C@@H]3CCCN(C)C3)nc3c2CCN(C(C)=O)C3)c1	ZINC000072373395	556946576	/nfs/dbraw/zinc/94/65/76/556946576.db2.gz	RDMXSZOLJYWNJB-HXUWFJFHSA-N	0	1	437.588	3.244	40	0		IGABMN
COc1cc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OCC(N)=O	ZINC000072375747	556952896	/nfs/dbraw/zinc/95/28/96/556952896.db2.gz	BHAUKURACNTHDQ-QGZVFWFLSA-N	0	1	439.541	3.492	40	0		IGABMN
Cc1cc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1	ZINC000072389582	556959713	/nfs/dbraw/zinc/95/97/13/556959713.db2.gz	HVBOCUMJMIUQOW-UWJYYQICSA-N	0	1	439.604	3.162	40	0		IGABMN
Cc1cc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1	ZINC000072389582	556959715	/nfs/dbraw/zinc/95/97/15/556959715.db2.gz	HVBOCUMJMIUQOW-UWJYYQICSA-N	0	1	439.604	3.162	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1	ZINC000257300606	557000638	/nfs/dbraw/zinc/00/06/38/557000638.db2.gz	RVARIKQFKGPQMK-LNLFQRSKSA-N	0	1	428.577	3.004	40	0		IGABMN
COc1ccc(OCC(=O)N2CCc3[nH]nc(-c4cccc5c4CN(C)C5)c3CC2)cc1	ZINC000585110294	557043320	/nfs/dbraw/zinc/04/33/20/557043320.db2.gz	AFSOWRCOCUECLY-UHFFFAOYSA-N	0	1	432.524	3.037	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccccc1Cl	ZINC000216238311	557141070	/nfs/dbraw/zinc/14/10/70/557141070.db2.gz	NKQCGEPXWGARJA-UHFFFAOYSA-N	0	1	444.962	3.075	40	0		IGABMN
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000216347732	557143707	/nfs/dbraw/zinc/14/37/07/557143707.db2.gz	CMKTTXCKNFLKJT-IBGZPJMESA-N	0	1	426.498	3.382	40	0		IGABMN
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217542595	557171031	/nfs/dbraw/zinc/17/10/31/557171031.db2.gz	JYPBLKIHIMJNOK-SYJLOODJSA-N	0	1	448.523	3.169	40	0		IGABMN
COc1ccccc1CNC(=O)CN1CCC[C@@](O)(COc2ccc(C)cc2C)CC1	ZINC000585274090	557218415	/nfs/dbraw/zinc/21/84/15/557218415.db2.gz	RAORFBYDNYGNBC-VWLOTQADSA-N	0	1	426.557	3.224	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000033862619	557373890	/nfs/dbraw/zinc/37/38/90/557373890.db2.gz	CAJNLWNSIOWMER-MASGSYHESA-N	0	1	449.938	3.494	40	0		IGABMN
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C	ZINC000222779318	557386273	/nfs/dbraw/zinc/38/62/73/557386273.db2.gz	DGOLABNWHSJKKD-FCHUYYIVSA-N	0	1	427.618	3.215	40	0		IGABMN
CCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000223228520	557448706	/nfs/dbraw/zinc/44/87/06/557448706.db2.gz	OVDJJIPTCTZQQL-UHFFFAOYSA-N	0	1	446.554	3.100	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)COc3ccccc3C)s2)cc1	ZINC000223502874	557479969	/nfs/dbraw/zinc/47/99/69/557479969.db2.gz	DZIFZBPKAUTBHI-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)s2)c1	ZINC000223666846	557499459	/nfs/dbraw/zinc/49/94/59/557499459.db2.gz	QODCKGTYLGDGTL-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1	ZINC000019527913	557501782	/nfs/dbraw/zinc/50/17/82/557501782.db2.gz	FFTCNWCQNMOBQA-HSZRJFAPSA-N	0	1	449.603	3.364	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1	ZINC000019527964	557501797	/nfs/dbraw/zinc/50/17/97/557501797.db2.gz	DTLVKZDVZZSFSR-QHCPKHFHSA-N	0	1	449.603	3.364	40	0		IGABMN
Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000225360480	557713890	/nfs/dbraw/zinc/71/38/90/557713890.db2.gz	ZXBJMLNIYDEMCP-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Br)cc2F)s1	ZINC000225417871	557720805	/nfs/dbraw/zinc/72/08/05/557720805.db2.gz	ZEUYCCMSDZNNGF-UHFFFAOYSA-N	0	1	437.316	3.225	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1	ZINC000061997561	557830035	/nfs/dbraw/zinc/83/00/35/557830035.db2.gz	ZXBPYNJHTIRHRM-JSAIXHEHSA-N	0	1	440.584	3.102	40	0		IGABMN
O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1	ZINC000015707355	560096701	/nfs/dbraw/zinc/09/67/01/560096701.db2.gz	ZOVQFGZKQDYTKT-KRWDZBQOSA-N	0	1	436.472	3.330	40	0	biogenic,in-vitro	IGABMN
COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1	ZINC000585270700	568617264	/nfs/dbraw/zinc/61/72/64/568617264.db2.gz	IDULBBIMZKWXJZ-RUZDIDTESA-N	0	1	437.540	3.377	40	0		IGABMN
CCCn1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)Cc3ccccc3)CC2)cn1	ZINC000257209294	568669317	/nfs/dbraw/zinc/66/93/17/568669317.db2.gz	BPUPPIYEBQBCMP-UHFFFAOYSA-N	0	1	434.544	3.308	40	0		IGABMN
Cc1nc2cc([C@@H]3CCC[N@H+]3C3CCOCC3)[n-]n2c(=O)c1CCC(=O)N1CCCCC1	ZINC000257211600	568670273	/nfs/dbraw/zinc/67/02/73/568670273.db2.gz	BZMRUALNURYETE-NRFANRHFSA-N	0	1	441.576	3.004	40	0		IGABMN
c1cn2nc(C[C@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)ccc2n1	ZINC000257237736	568682786	/nfs/dbraw/zinc/68/27/86/568682786.db2.gz	HHXLSHQKIOAEGP-OAQYLSRUSA-N	0	1	429.524	3.394	40	0		IGABMN
COc1ccc(-c2cc(C(=O)N3CCC[C@H]4N(C(C)=O)CCC[C@@]43C)n[nH]2)c(OC)c1	ZINC000257261298	568693862	/nfs/dbraw/zinc/69/38/62/568693862.db2.gz	LGPKMCYSYREBOU-GGAORHGYSA-N	0	1	426.517	3.100	40	0		IGABMN
c1cn2cc(C[C@@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)ncc2n1	ZINC000257261622	568694000	/nfs/dbraw/zinc/69/40/00/568694000.db2.gz	LIDGNIJELDCECE-NRFANRHFSA-N	0	1	429.524	3.394	40	0		IGABMN
c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)ncc2n1	ZINC000257261622	568694002	/nfs/dbraw/zinc/69/40/02/568694002.db2.gz	LIDGNIJELDCECE-NRFANRHFSA-N	0	1	429.524	3.394	40	0		IGABMN
CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)C4CC[NH+](C(C)C)CC4)CCO3)n2)s1	ZINC000257263639	568695008	/nfs/dbraw/zinc/69/50/08/568695008.db2.gz	LQVGFUUIHAZCQO-GOSISDBHSA-N	0	1	444.605	3.259	40	0		IGABMN
CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257307514	568714426	/nfs/dbraw/zinc/71/44/26/568714426.db2.gz	SYZCGMNSRWCWRM-OAQYLSRUSA-N	0	1	444.583	3.148	40	0		IGABMN
CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257307514	568714427	/nfs/dbraw/zinc/71/44/27/568714427.db2.gz	SYZCGMNSRWCWRM-OAQYLSRUSA-N	0	1	444.583	3.148	40	0		IGABMN
Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257311429	568715985	/nfs/dbraw/zinc/71/59/85/568715985.db2.gz	UJKNXODEWYLBHK-FQEVSTJZSA-N	0	1	426.536	3.013	40	0		IGABMN
CCCN(CC1CC1)C(=O)[C@H]1CCc2nnc(C3CCN(Cc4cccnc4)CC3)n2C1	ZINC000306132976	568767692	/nfs/dbraw/zinc/76/76/92/568767692.db2.gz	LXWPEXAEICDCIJ-QFIPXVFZSA-N	0	1	436.604	3.264	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccccc3F)CC2)C1	ZINC000306134426	568768421	/nfs/dbraw/zinc/76/84/21/568768421.db2.gz	NMVXKWZSOJNYKY-UHFFFAOYSA-N	0	1	436.491	3.053	40	0		IGABMN
COc1ccc(CN2C[C@]3(CCN(C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1	ZINC000306135821	568769239	/nfs/dbraw/zinc/76/92/39/568769239.db2.gz	PCBLVFHLYHELBI-HSZRJFAPSA-N	0	1	428.554	3.276	40	0		IGABMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101344761	568782152	/nfs/dbraw/zinc/78/21/52/568782152.db2.gz	ZNIAEOAOTYSHDY-PLOUGOBLSA-N	0	1	435.911	3.388	40	0		IGABMN
COc1ccc(COC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1OC	ZINC000026781579	568862865	/nfs/dbraw/zinc/86/28/65/568862865.db2.gz	JGWVPQSUPOJQMA-FQEVSTJZSA-N	0	1	434.964	3.365	40	0		IGABMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507555	568897090	/nfs/dbraw/zinc/89/70/90/568897090.db2.gz	WFDQUOKRUGEQJS-BILGYAHESA-N	0	1	429.520	3.149	40	0		IGABMN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1	ZINC000009063546	569219986	/nfs/dbraw/zinc/21/99/86/569219986.db2.gz	YXJFWFXIOPAPSY-UHFFFAOYSA-N	0	1	430.476	3.480	40	0		IGABMN
Cc1nc([C@@H]2CCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1	ZINC000019695681	569229658	/nfs/dbraw/zinc/22/96/58/569229658.db2.gz	BYMYAANRMXQMSV-LJQANCHMSA-N	0	1	444.539	3.050	40	0		IGABMN
CNc1cc(CN(C)C)nc([C@H]2CCCN2C(=O)CCc2cc3c(cc2OC)CCC3)n1	ZINC000019759173	569237455	/nfs/dbraw/zinc/23/74/55/569237455.db2.gz	UDQMGQGBPQOXRK-OAQYLSRUSA-N	0	1	437.588	3.374	40	0		IGABMN
Cn1nc(-c2ccco2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2	ZINC000008622851	569469437	/nfs/dbraw/zinc/46/94/37/569469437.db2.gz	YTMZDGOZUFCQTJ-JQHSSLGASA-N	0	1	434.496	3.017	40	0	biogenic,in-vitro	IGABMN
Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2	ZINC000008622851	569469438	/nfs/dbraw/zinc/46/94/38/569469438.db2.gz	YTMZDGOZUFCQTJ-JQHSSLGASA-N	0	1	434.496	3.017	40	0	biogenic,in-vitro	IGABMN
O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1	ZINC000096111825	291363034	/nfs/dbraw/zinc/36/30/34/291363034.db2.gz	DMHMFBVSQGJPPI-UNMCSNQZSA-N	0	1	429.476	3.349	40	0	biogenic,in-vitro	IGABMN
O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1	ZINC000096111825	291363035	/nfs/dbraw/zinc/36/30/35/291363035.db2.gz	DMHMFBVSQGJPPI-UNMCSNQZSA-N	0	1	429.476	3.349	40	0	biogenic,in-vitro	IGABMN
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020456612	525962476	/nfs/dbraw/zinc/96/24/76/525962476.db2.gz	KKLMGQFXWCGMHI-ZDUSSCGKSA-N	0	1	432.889	3.337	40	0		IGABMN
O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1	ZINC000035425263	526364124	/nfs/dbraw/zinc/36/41/24/526364124.db2.gz	WQCKCHNKLYMUKM-IBGZPJMESA-N	0	1	435.484	3.004	40	0	biogenic,in-vitro	IGABMN
O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1	ZINC000035425263	526364128	/nfs/dbraw/zinc/36/41/28/526364128.db2.gz	WQCKCHNKLYMUKM-IBGZPJMESA-N	0	1	435.484	3.004	40	0	biogenic,in-vitro	IGABMN
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)cc1	ZINC000408637935	556015591	/nfs/dbraw/zinc/01/55/91/556015591.db2.gz	OCTCGFAZFNOSFY-UHFFFAOYSA-N	0	1	439.497	3.338	40	0		IGABMN
COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c(OC)c1	ZINC000408706327	556112859	/nfs/dbraw/zinc/11/28/59/556112859.db2.gz	AWSBACNOIZIQEX-UHFFFAOYSA-N	0	1	448.541	3.385	40	0		IGABMN
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000030754287	556504074	/nfs/dbraw/zinc/50/40/74/556504074.db2.gz	LKGCVMRNUULXLO-INIZCTEOSA-N	0	1	426.498	3.300	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cc(F)cc(F)c1	ZINC000257218071	556703476	/nfs/dbraw/zinc/70/34/76/556703476.db2.gz	DBTNSLKCDXTXJT-SONWIMMPSA-N	0	1	444.522	3.268	40	0		IGABMN
CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000257343278	556709770	/nfs/dbraw/zinc/70/97/70/556709770.db2.gz	ZSGLXNNVJVDZRA-XMMPIXPASA-N	0	1	430.520	3.271	40	0		IGABMN
Cc1ccn(C[C@H](C)C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1	ZINC000019238009	556722695	/nfs/dbraw/zinc/72/26/95/556722695.db2.gz	KQGWUDUZSDHGDP-KRWDZBQOSA-N	0	1	438.551	3.148	40	0		IGABMN
Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019238461	556723360	/nfs/dbraw/zinc/72/33/60/556723360.db2.gz	VXPUBISGZKLJSS-OAQYLSRUSA-N	0	1	438.576	3.132	40	0		IGABMN
CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019447261	556756432	/nfs/dbraw/zinc/75/64/32/556756432.db2.gz	RZLNRGZIZAXPSD-VWLOTQADSA-N	0	1	431.540	3.319	40	0		IGABMN
COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)C[N@@H+](C(C)C)CC4)[nH]c2c1	ZINC000019448167	556757672	/nfs/dbraw/zinc/75/76/72/556757672.db2.gz	ZVKWKVYTNHLGJM-JOCHJYFZSA-N	0	1	449.555	3.394	40	0		IGABMN
COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)C[N@H+](C(C)C)CC4)[nH]c2c1	ZINC000019448167	556757673	/nfs/dbraw/zinc/75/76/73/556757673.db2.gz	ZVKWKVYTNHLGJM-JOCHJYFZSA-N	0	1	449.555	3.394	40	0		IGABMN
CCCc1ncc(CN2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1	ZINC000019525742	556783446	/nfs/dbraw/zinc/78/34/46/556783446.db2.gz	MGBAIOHIBLFTJH-YKSBVNFPSA-N	0	1	438.572	3.459	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555561	556798601	/nfs/dbraw/zinc/79/86/01/556798601.db2.gz	IKQQUMCOJXYOEM-AZUAARDMSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1cc(C)ccc1CN(C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1	ZINC000019698746	556857708	/nfs/dbraw/zinc/85/77/08/556857708.db2.gz	OEKCKEPUSWLUNW-RPWUZVMVSA-N	0	1	437.584	3.286	40	0		IGABMN
CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccccc1F)C2	ZINC000019708524	556869327	/nfs/dbraw/zinc/86/93/27/556869327.db2.gz	AHKVHEWZMDUOSO-INIZCTEOSA-N	0	1	425.552	3.329	40	0		IGABMN
Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)CN4CCCC4)nc32)cc1	ZINC000019740786	556881655	/nfs/dbraw/zinc/88/16/55/556881655.db2.gz	XREHVKZXKDFJTQ-JOCHJYFZSA-N	0	1	447.583	3.332	40	0		IGABMN
Cc1nc([C@@H]2CCN(C(=O)CCCN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCCC1	ZINC000019757408	556901602	/nfs/dbraw/zinc/90/16/02/556901602.db2.gz	BWLHIDGEWANFCM-JOCHJYFZSA-N	0	1	447.583	3.133	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)cn1	ZINC000072371642	556939758	/nfs/dbraw/zinc/93/97/58/556939758.db2.gz	BWXOGAVTJNHQOS-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21	ZINC000072373762	556946651	/nfs/dbraw/zinc/94/66/51/556946651.db2.gz	PRONARAISMDZSI-NRFANRHFSA-N	0	1	437.588	3.014	40	0		IGABMN
COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)ccc12	ZINC000072374475	556948277	/nfs/dbraw/zinc/94/82/77/556948277.db2.gz	TWJHCAFHRLTUDW-LJQANCHMSA-N	0	1	448.571	3.380	40	0		IGABMN
Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1	ZINC000072374982	556949733	/nfs/dbraw/zinc/94/97/33/556949733.db2.gz	XJRIKKBQFJUBSB-SFHVURJKSA-N	0	1	432.528	3.259	40	0		IGABMN
Cn1ccnc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072380231	556958135	/nfs/dbraw/zinc/95/81/35/556958135.db2.gz	KAANGSKLSIWUKG-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)CN(C)C)C1	ZINC000072391569	556962544	/nfs/dbraw/zinc/96/25/44/556962544.db2.gz	LSGMRGOMIYZBTF-RUZDIDTESA-N	0	1	425.548	3.342	40	0		IGABMN
Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN(C)Cc3cccnc3)C2)CC1	ZINC000585103443	557037113	/nfs/dbraw/zinc/03/71/13/557037113.db2.gz	GKNSBYWXHUGOPM-OAQYLSRUSA-N	0	1	429.586	3.082	40	0		IGABMN
O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000205690354	557057910	/nfs/dbraw/zinc/05/79/10/557057910.db2.gz	BMPRVLOTHMJZNR-RDXCRGQUSA-N	0	1	442.313	3.337	40	0		IGABMN
CC(=O)Nc1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1	ZINC000585262121	557200902	/nfs/dbraw/zinc/20/09/02/557200902.db2.gz	YCPXACBJFYWUSL-UMFSSWHCSA-N	0	1	448.567	3.328	40	0		IGABMN
COc1cccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)c1	ZINC000002456156	557225210	/nfs/dbraw/zinc/22/52/10/557225210.db2.gz	ZUOBGYDVFZRRRT-UHFFFAOYSA-N	0	1	425.304	3.168	40	0		IGABMN
CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233681	557250277	/nfs/dbraw/zinc/25/02/77/557250277.db2.gz	NXDSENOAJOHQGS-MJGOQNOKSA-N	0	1	448.571	3.140	40	0		IGABMN
CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233779	557250869	/nfs/dbraw/zinc/25/08/69/557250869.db2.gz	CDQIOMHMTQNONM-NRFANRHFSA-N	0	1	434.544	3.098	40	0		IGABMN
CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233779	557250872	/nfs/dbraw/zinc/25/08/72/557250872.db2.gz	CDQIOMHMTQNONM-NRFANRHFSA-N	0	1	434.544	3.098	40	0		IGABMN
CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233776	557250959	/nfs/dbraw/zinc/25/09/59/557250959.db2.gz	MGDLEHUEYPWUFB-NRFANRHFSA-N	0	1	434.544	3.242	40	0		IGABMN
CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233776	557250962	/nfs/dbraw/zinc/25/09/62/557250962.db2.gz	MGDLEHUEYPWUFB-NRFANRHFSA-N	0	1	434.544	3.242	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4Cc4cccc(F)c4)cc3nc2C1	ZINC000100234348	557252919	/nfs/dbraw/zinc/25/29/19/557252919.db2.gz	NMMBJIVXMIJTCC-NRFANRHFSA-N	0	1	437.519	3.452	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)CC1	ZINC000100238855	557254308	/nfs/dbraw/zinc/25/43/08/557254308.db2.gz	RALVANCGTIJBAH-GGPKGHCWSA-N	0	1	442.604	3.394	40	0		IGABMN
O=C(CN1CCCC1)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1	ZINC000100657964	557267913	/nfs/dbraw/zinc/26/79/13/557267913.db2.gz	GNIZGKCSBUPHPS-HDICACEKSA-N	0	1	443.613	3.109	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)Cc3ccccc3)s2)cc1	ZINC000222588212	557356800	/nfs/dbraw/zinc/35/68/00/557356800.db2.gz	GGJLYTOSKAICQN-UHFFFAOYSA-N	0	1	430.555	3.398	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1)c1ccc(Cl)cc1	ZINC000223025641	557417004	/nfs/dbraw/zinc/41/70/04/557417004.db2.gz	GBLFPXMLKMZDJK-UHFFFAOYSA-N	0	1	426.882	3.061	40	0		IGABMN
CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000014153278	557423903	/nfs/dbraw/zinc/42/39/03/557423903.db2.gz	YCMWSKHIJHTJPJ-UHFFFAOYSA-N	0	1	445.522	3.111	40	0		IGABMN
COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1	ZINC000223647451	557496614	/nfs/dbraw/zinc/49/66/14/557496614.db2.gz	ZULXBQXLMOSXNA-UHFFFAOYSA-N	0	1	430.276	3.054	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019527928	557501761	/nfs/dbraw/zinc/50/17/61/557501761.db2.gz	NQAVLSODTWVEPA-QHCPKHFHSA-N	0	1	449.603	3.364	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSc3ccccc3)s2)c1	ZINC000224470087	557609701	/nfs/dbraw/zinc/60/97/01/557609701.db2.gz	HDHAEPQYOGKDMJ-UHFFFAOYSA-N	0	1	434.568	3.169	40	0		IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSc2ccc(Cl)cc2)s1	ZINC000224722913	557644115	/nfs/dbraw/zinc/64/41/15/557644115.db2.gz	IOTHKNOATJZVAA-UHFFFAOYSA-N	0	1	434.996	3.247	40	0		IGABMN
COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1	ZINC000224847765	557658362	/nfs/dbraw/zinc/65/83/62/557658362.db2.gz	JKXKOGRMRNBWHN-UHFFFAOYSA-N	0	1	440.978	3.307	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC3CCCCC3)s2)c1	ZINC000224918874	557667044	/nfs/dbraw/zinc/66/70/44/557667044.db2.gz	WMCUNIOHWWTEQP-UHFFFAOYSA-N	0	1	440.616	3.443	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(C)c(C)c3)s2)c1	ZINC000225180582	557696948	/nfs/dbraw/zinc/69/69/48/557696948.db2.gz	CBPWDYIZAGJIHG-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
O=C(Cn1cnc2ccccc21)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1	ZINC000257216600	568672815	/nfs/dbraw/zinc/67/28/15/568672815.db2.gz	CVGVRXIHEYIFIN-HSZRJFAPSA-N	0	1	449.486	3.120	40	0		IGABMN
Cc1cccc(Nc2cc(C)nc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)c2)n1	ZINC000257217437	568672972	/nfs/dbraw/zinc/67/29/72/568672972.db2.gz	CYXVSHOTSWXREB-UHFFFAOYSA-N	0	1	426.546	3.139	40	0		IGABMN
CC(=O)Nc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)cc1	ZINC000257225404	568676706	/nfs/dbraw/zinc/67/67/06/568676706.db2.gz	FGAXLBNLEJFTQE-HXUWFJFHSA-N	0	1	445.567	3.238	40	0		IGABMN
Cc1nc2cc([C@H]3CCCC[N@H+]3Cc3cccnc3)[n-]n2c(=O)c1CCC(=O)N1CCCC1	ZINC000257243322	568685278	/nfs/dbraw/zinc/68/52/78/568685278.db2.gz	IGJXSHHLKBTLAL-JOCHJYFZSA-N	0	1	448.571	3.421	40	0		IGABMN
Cc1cc(C)n2ncc(CN3CCO[C@@H](c4cc(CCOc5ccccc5)[nH]n4)C3)c2n1	ZINC000257275873	568700304	/nfs/dbraw/zinc/70/03/04/568700304.db2.gz	NRIPJAIWAJIZGM-HSZRJFAPSA-N	0	1	432.528	3.264	40	0		IGABMN
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C(F)(F)F)cc1)CN2CC(N)=O	ZINC000257294059	568708549	/nfs/dbraw/zinc/70/85/49/568708549.db2.gz	QSGLFFWATLKBJR-BRWVUGGUSA-N	0	1	427.467	3.216	40	0		IGABMN
Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)s1	ZINC000306139008	568771091	/nfs/dbraw/zinc/77/10/91/568771091.db2.gz	SNDCLJKBBGUGHF-FQEVSTJZSA-N	0	1	441.597	3.021	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccccc3F)CC2)C1	ZINC000306144104	568773746	/nfs/dbraw/zinc/77/37/46/568773746.db2.gz	YWGBSNUTEHVNAW-UHFFFAOYSA-N	0	1	425.464	3.251	40	0		IGABMN
CCn1cc(CN2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1	ZINC000247919488	569206531	/nfs/dbraw/zinc/20/65/31/569206531.db2.gz	CAWWJAGKNUFFDO-NTKDMRAZSA-N	0	1	426.561	3.242	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000247918216	569206580	/nfs/dbraw/zinc/20/65/80/569206580.db2.gz	WUTHUAUABDRREL-UXHICEINSA-N	0	1	448.567	3.421	40	0		IGABMN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1	ZINC000009063529	569219989	/nfs/dbraw/zinc/21/99/89/569219989.db2.gz	DGCAQSQHYUVQHF-UHFFFAOYSA-N	0	1	428.460	3.250	40	0		IGABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1	ZINC000008299241	291356727	/nfs/dbraw/zinc/35/67/27/291356727.db2.gz	GCYBGAIBKCRKOK-SMIHKQSGSA-N	0	1	445.567	3.085	40	0	biogenic,in-vitro	IGABMN
COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=S)NCC(C)C)n(C)n1	ZINC000012602005	291359086	/nfs/dbraw/zinc/35/90/86/291359086.db2.gz	PVPRVEBNSRAFPN-NSHGMRRFSA-N	0	1	441.645	3.394	40	0	biogenic,in-vitro	IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844068	526196048	/nfs/dbraw/zinc/19/60/48/526196048.db2.gz	KAGCDJKHLXHNNM-HMSHQKHKSA-N	0	1	435.911	3.388	40	0		IGABMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843229	526212985	/nfs/dbraw/zinc/21/29/85/526212985.db2.gz	XRGXUDGPDOIAIG-DBYOASNMSA-N	0	1	435.911	3.388	40	0		IGABMN
COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000044883075	556674486	/nfs/dbraw/zinc/67/44/86/556674486.db2.gz	DQYATXOEEMOHLS-HNNXBMFYSA-N	0	1	442.497	3.000	40	0		IGABMN
CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCc2cccc3c2OCO3)CC1	ZINC000257315609	556703827	/nfs/dbraw/zinc/70/38/27/556703827.db2.gz	VCDIEMSLTUYMIH-DEOSSOPVSA-N	0	1	444.503	3.121	40	0		IGABMN
CN1CCN(CCNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)CC1	ZINC000257315520	556703902	/nfs/dbraw/zinc/70/39/02/556703902.db2.gz	VBUIZWRNDOSRDJ-UHFFFAOYSA-N	0	1	439.575	3.196	40	0		IGABMN
CN1CCN(CCNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)CC1	ZINC000257229750	556708939	/nfs/dbraw/zinc/70/89/39/556708939.db2.gz	FZIRJFXVTLDPKY-UHFFFAOYSA-N	0	1	439.575	3.196	40	0		IGABMN
O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257307644	556718151	/nfs/dbraw/zinc/71/81/51/556718151.db2.gz	SZQMMPCUAAFQQQ-JOCHJYFZSA-N	0	1	449.530	3.344	40	0		IGABMN
O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257307644	556718155	/nfs/dbraw/zinc/71/81/55/556718155.db2.gz	SZQMMPCUAAFQQQ-JOCHJYFZSA-N	0	1	449.530	3.344	40	0		IGABMN
O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019348049	556743726	/nfs/dbraw/zinc/74/37/26/556743726.db2.gz	LSHLHBLACLNXNC-SFHVURJKSA-N	0	1	438.547	3.158	40	0		IGABMN
COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)C[N@@H+](C(C)C)CC4)[nH]c2c1	ZINC000019448169	556757497	/nfs/dbraw/zinc/75/74/97/556757497.db2.gz	ZVKWKVYTNHLGJM-QFIPXVFZSA-N	0	1	449.555	3.394	40	0		IGABMN
COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)C[N@H+](C(C)C)CC4)[nH]c2c1	ZINC000019448169	556757500	/nfs/dbraw/zinc/75/75/00/556757500.db2.gz	ZVKWKVYTNHLGJM-QFIPXVFZSA-N	0	1	449.555	3.394	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000096402884	556760461	/nfs/dbraw/zinc/76/04/61/556760461.db2.gz	QJSXYMDBXXURBE-PIXQIBFHSA-N	0	1	429.520	3.149	40	0		IGABMN
COc1ccc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)cc1CO	ZINC000019559376	556801235	/nfs/dbraw/zinc/80/12/35/556801235.db2.gz	CKYDJTGNPSMCAP-XUZZJYLKSA-N	0	1	430.495	3.494	40	0		IGABMN
COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)c1	ZINC000019565840	556806423	/nfs/dbraw/zinc/80/64/23/556806423.db2.gz	FAASRWSTSUMGGK-RUZDIDTESA-N	0	1	435.568	3.240	40	0		IGABMN
COCCN1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1	ZINC000019593386	556829787	/nfs/dbraw/zinc/82/97/87/556829787.db2.gz	GBSKZWCFBODMNI-DEOSSOPVSA-N	0	1	438.568	3.319	40	0		IGABMN
CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2	ZINC000019708500	556869345	/nfs/dbraw/zinc/86/93/45/556869345.db2.gz	UHDCOBZUDXEWBS-KRWDZBQOSA-N	0	1	437.588	3.199	40	0		IGABMN
CN(C)c1cc(CN(C)C(=O)CCOc2ccc(Cl)cc2)nc([C@H]2CCCCN2)n1	ZINC000019709854	556871367	/nfs/dbraw/zinc/87/13/67/556871367.db2.gz	BIEVYDYDJOZZQW-LJQANCHMSA-N	0	1	431.968	3.438	40	0		IGABMN
Nc1[nH]nc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)cc(C(F)(F)F)c12	ZINC000019743412	556887945	/nfs/dbraw/zinc/88/79/45/556887945.db2.gz	OGOPVOAIDVBALQ-AWEZNQCLSA-N	0	1	425.436	3.475	40	0		IGABMN
COc1cccc(C(=O)N2CCC(c3ccc4c(n[nH]c4NCc4ncc[nH]4)n3)CC2)c1	ZINC000019744904	556891415	/nfs/dbraw/zinc/89/14/15/556891415.db2.gz	QUVVOSUMJROVGI-UHFFFAOYSA-N	0	1	431.500	3.322	40	0		IGABMN
Cc1nc([C@@H]2CCN(C(=O)CN3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1	ZINC000019753220	556897027	/nfs/dbraw/zinc/89/70/27/556897027.db2.gz	GETPTKAIMIHJCW-MRXNPFEDSA-N	0	1	427.936	3.102	40	0		IGABMN
C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN(C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1	ZINC000072326929	556903430	/nfs/dbraw/zinc/90/34/30/556903430.db2.gz	FOHOCAOJWPUAJL-UNKRFLAVSA-N	0	1	436.600	3.451	40	0		IGABMN
Cc1onc(C(=O)N2CCc3nc(-c4cncnc4)sc3C2)c1CN1CCCCCC1	ZINC000072392049	556963254	/nfs/dbraw/zinc/96/32/54/556963254.db2.gz	DQIIQAZPXRUKKR-UHFFFAOYSA-N	0	1	438.557	3.471	40	0		IGABMN
O=C(Cc1ccccn1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12	ZINC000585110197	557042998	/nfs/dbraw/zinc/04/29/98/557042998.db2.gz	VZNNPWRLIUMPMJ-DNQXCXABSA-N	0	1	440.547	3.434	40	0		IGABMN
O=C(Cc1ccccn1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12	ZINC000585110198	557043171	/nfs/dbraw/zinc/04/31/71/557043171.db2.gz	VZNNPWRLIUMPMJ-RPWUZVMVSA-N	0	1	440.547	3.434	40	0		IGABMN
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c1	ZINC000409408017	557107558	/nfs/dbraw/zinc/10/75/58/557107558.db2.gz	BMXBAEHNLSTQSS-UHFFFAOYSA-N	0	1	449.960	3.095	40	0		IGABMN
Cn1cc(CCC(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N2CCOCC2)c2ccccc21	ZINC000585168859	557131405	/nfs/dbraw/zinc/13/14/05/557131405.db2.gz	NTCGBRVJVLPYPA-QFIPXVFZSA-N	0	1	449.555	3.060	40	0		IGABMN
COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(CC5CC5)CCN4C(C)C)n3c2)cc1	ZINC000096156812	557182257	/nfs/dbraw/zinc/18/22/57/557182257.db2.gz	XACIEJSEPBGRLI-JOCHJYFZSA-N	0	1	448.571	3.467	40	0		IGABMN
COc1cc(CN2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1	ZINC000585271888	557216635	/nfs/dbraw/zinc/21/66/35/557216635.db2.gz	PTXRWCLIPKZFSU-RUZDIDTESA-N	0	1	437.540	3.377	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccc(OC)cc4)[n-]n3c(=O)c2C1	ZINC000100233968	557251958	/nfs/dbraw/zinc/25/19/58/557251958.db2.gz	MDRSNWFSALLXGC-JOCHJYFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)no1	ZINC000100234302	557252297	/nfs/dbraw/zinc/25/22/97/557252297.db2.gz	BIRAAYNTCJPXSK-LJQANCHMSA-N	0	1	438.532	3.290	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1	ZINC000100238820	557254190	/nfs/dbraw/zinc/25/41/90/557254190.db2.gz	RVARIKQFKGPQMK-JENIJYKNSA-N	0	1	428.577	3.004	40	0		IGABMN
CC(C)(C)SCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000223112342	557433191	/nfs/dbraw/zinc/43/31/91/557433191.db2.gz	HHNFJDLXEVVEKC-UHFFFAOYSA-N	0	1	434.996	3.254	40	0		IGABMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1N1C(=O)CCC1=O	ZINC000223197777	557444922	/nfs/dbraw/zinc/44/49/22/557444922.db2.gz	OABUKWOGENDXQO-UHFFFAOYSA-N	0	1	428.388	3.168	40	0		IGABMN
COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c(C(C)=O)cc1OC	ZINC000223259509	557452042	/nfs/dbraw/zinc/45/20/42/557452042.db2.gz	ZKTLLINVIPLVRT-UHFFFAOYSA-N	0	1	448.541	3.401	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)s1	ZINC000223695990	557503359	/nfs/dbraw/zinc/50/33/59/557503359.db2.gz	IDBZZKHAPKHNFF-HNNXBMFYSA-N	0	1	430.555	3.398	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CCc2ccccc2)s1	ZINC000223696041	557503381	/nfs/dbraw/zinc/50/33/81/557503381.db2.gz	IDBZZKHAPKHNFF-OAHLLOKOSA-N	0	1	430.555	3.398	40	0		IGABMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1	ZINC000224542648	557619150	/nfs/dbraw/zinc/61/91/50/557619150.db2.gz	PTHQHWJSCXTMMI-OAQYLSRUSA-N	0	1	440.477	3.275	40	0		IGABMN
CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)s1	ZINC000225237151	557703434	/nfs/dbraw/zinc/70/34/34/557703434.db2.gz	AVVAHJZUPQPGFC-UHFFFAOYSA-N	0	1	441.387	3.015	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1)c1ccccc1Cl	ZINC000225248371	557704965	/nfs/dbraw/zinc/70/49/65/557704965.db2.gz	MSPUVJLDXDWBPT-UHFFFAOYSA-N	0	1	444.966	3.071	40	0		IGABMN
Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000225809606	557779795	/nfs/dbraw/zinc/77/97/95/557779795.db2.gz	FOGJATIPFWSIDP-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1	ZINC000225904892	557790090	/nfs/dbraw/zinc/79/00/90/557790090.db2.gz	YIUSQWMNGBQVMW-QGZVFWFLSA-N	0	1	435.977	3.407	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1	ZINC000061997562	557830005	/nfs/dbraw/zinc/83/00/05/557830005.db2.gz	ZXBPYNJHTIRHRM-LJVIWKQPSA-N	0	1	440.584	3.102	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N2CCCCCC2)cc1	ZINC000257206373	568668297	/nfs/dbraw/zinc/66/82/97/568668297.db2.gz	BDBOHWUCLNVMIR-FQEVSTJZSA-N	0	1	446.573	3.350	40	0		IGABMN
Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1	ZINC000257210799	568670039	/nfs/dbraw/zinc/67/00/39/568670039.db2.gz	BWFRAVJQVPQECB-QHCPKHFHSA-N	0	1	446.555	3.169	40	0		IGABMN
Cc1cc(CN(C)C(=O)C[C@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)no1	ZINC000257264503	568695137	/nfs/dbraw/zinc/69/51/37/568695137.db2.gz	LURWACNULNPWCX-MRXNPFEDSA-N	0	1	441.507	3.218	40	0		IGABMN
Cc1cc(CN(C)C(=O)C[C@@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)no1	ZINC000257264502	568695328	/nfs/dbraw/zinc/69/53/28/568695328.db2.gz	LURWACNULNPWCX-INIZCTEOSA-N	0	1	441.507	3.218	40	0		IGABMN
CCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)cn1	ZINC000257314704	568717370	/nfs/dbraw/zinc/71/73/70/568717370.db2.gz	UYCXUSXQEJMHDP-KRWDZBQOSA-N	0	1	426.565	3.441	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000257345087	568730886	/nfs/dbraw/zinc/73/08/86/568730886.db2.gz	ZZXHKPYNVXQDRR-OAQYLSRUSA-N	0	1	444.919	3.432	40	0		IGABMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101344201	568782180	/nfs/dbraw/zinc/78/21/80/568782180.db2.gz	INMYNIWXRXBYHO-PLOUGOBLSA-N	0	1	435.911	3.388	40	0		IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016021912	568863771	/nfs/dbraw/zinc/86/37/71/568863771.db2.gz	YSPSKCBBAZTUPG-KOHOOESMSA-N	0	1	437.927	3.102	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1	ZINC000248154912	569207416	/nfs/dbraw/zinc/20/74/16/569207416.db2.gz	YOPAFSIOMFULCR-QUCCMNQESA-N	0	1	448.567	3.421	40	0		IGABMN
O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(Cc2ccccc2)CC1	ZINC000001462682	569211093	/nfs/dbraw/zinc/21/10/93/569211093.db2.gz	HLTGQAIZUALIRQ-QGZVFWFLSA-N	0	1	441.316	3.285	40	0		IGABMN
CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cnn(C)c2)C1	ZINC000019530087	569226786	/nfs/dbraw/zinc/22/67/86/569226786.db2.gz	IGHUZOYNVWEOHN-OFNKIYASSA-N	0	1	428.508	3.288	40	0		IGABMN
CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1	ZINC000019702028	569231687	/nfs/dbraw/zinc/23/16/87/569231687.db2.gz	RLSUQYISAMUFDK-INIZCTEOSA-N	0	1	436.585	3.378	40	0		IGABMN
CC(C)c1ncc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1	ZINC000019702587	569232175	/nfs/dbraw/zinc/23/21/75/569232175.db2.gz	FXTKRZMZAOQDNH-KRWDZBQOSA-N	0	1	439.585	3.264	40	0		IGABMN
CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)N2CCCCC2)C1	ZINC000019739048	569236456	/nfs/dbraw/zinc/23/64/56/569236456.db2.gz	QMBCJRSMUHJDHV-XMMPIXPASA-N	0	1	430.593	3.058	40	0		IGABMN
Cc1nc([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)ncc1C(=O)NCc1ccccc1	ZINC000019763471	569238121	/nfs/dbraw/zinc/23/81/21/569238121.db2.gz	NXTOHNXPIZCPFJ-QFIPXVFZSA-N	0	1	449.599	3.153	40	0		IGABMN
CCOc1ccc([C@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OCC	ZINC000095534516	569374627	/nfs/dbraw/zinc/37/46/27/569374627.db2.gz	SFHKYYPWWFOVRX-IBGZPJMESA-N	0	1	428.489	3.343	40	0		IGABMN
CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C	ZINC000012602738	291355165	/nfs/dbraw/zinc/35/51/65/291355165.db2.gz	KSCFRFIHGADNTE-UHOSZYNNSA-N	0	1	442.560	3.418	40	0	biogenic,in-vitro	IGABMN
COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CN(C)C)C=C3C)nc2c1	ZINC000072321001	291356310	/nfs/dbraw/zinc/35/63/10/291356310.db2.gz	BVSPYFPHTWEFLJ-UFYCRDLUSA-N	0	1	440.588	3.424	40	0	biogenic,in-vitro	IGABMN
Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)NCc1ccc(F)cc1	ZINC000019764396	193917264	/nfs/dbraw/zinc/91/72/64/193917264.db2.gz	PGEUTLWLMAOTIT-OAQYLSRUSA-N	0	1	439.535	3.004	40	0		IGABMN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022865551	519803250	/nfs/dbraw/zinc/80/32/50/519803250.db2.gz	KNUYMKCLEZNCKC-CNIHBODFSA-N	0	1	432.605	3.371	40	0		IGABMN
COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC	ZINC000020456319	523925705	/nfs/dbraw/zinc/92/57/05/523925705.db2.gz	TZPCULPWAKPIBL-UHFFFAOYSA-N	0	1	441.509	3.471	40	0		IGABMN
COc1ccc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1OC	ZINC000408606556	555967106	/nfs/dbraw/zinc/96/71/06/555967106.db2.gz	IQHVXBKDKLVADC-IBGZPJMESA-N	0	1	430.476	3.207	40	0		IGABMN
C[C@H](Cc1ccccn1)N(C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1	ZINC000012089135	556401832	/nfs/dbraw/zinc/40/18/32/556401832.db2.gz	XXEGXLBIZPKESF-TYCQWZJGSA-N	0	1	439.560	3.345	40	0		IGABMN
CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1cc(C(C)(C)C)nn1C	ZINC000019083809	556698225	/nfs/dbraw/zinc/69/82/25/556698225.db2.gz	DXDJTXJONXNYGA-UHFFFAOYSA-N	0	1	426.540	3.212	40	0		IGABMN
CC(C)c1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)on1	ZINC000257304624	556717811	/nfs/dbraw/zinc/71/78/11/556717811.db2.gz	SMKDHIAHNNPDRX-TZBSWOFLSA-N	0	1	441.572	3.102	40	0		IGABMN
OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1Cc1ccc(F)cc1	ZINC000019334083	556737986	/nfs/dbraw/zinc/73/79/86/556737986.db2.gz	MOJHCVBBIUUXPT-QFIPXVFZSA-N	0	1	436.535	3.409	40	0		IGABMN
c1ccc(C(c2ccccc2)N2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1	ZINC000019369523	556747006	/nfs/dbraw/zinc/74/70/06/556747006.db2.gz	LGHKDRSSNMGLCC-UHFFFAOYSA-N	0	1	429.568	3.220	40	0		IGABMN
O=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(C[C@@]3(CO2)NC(=O)c2ccccc2N3)CC1	ZINC000019374619	556751165	/nfs/dbraw/zinc/75/11/65/556751165.db2.gz	VJHWIRBZCMBAFK-QHCPKHFHSA-N	0	1	449.536	3.085	40	0		IGABMN
O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2	ZINC000019400162	556752856	/nfs/dbraw/zinc/75/28/56/556752856.db2.gz	JEWDLFQPJHRDLS-HXUWFJFHSA-N	0	1	435.553	3.152	40	0		IGABMN
CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)C1	ZINC000019447265	556756414	/nfs/dbraw/zinc/75/64/14/556756414.db2.gz	ASIMYWNLBNRJCN-VWLOTQADSA-N	0	1	431.540	3.319	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000019448087	556757012	/nfs/dbraw/zinc/75/70/12/556757012.db2.gz	FYZOVAYELSCZOB-KRWDZBQOSA-N	0	1	437.519	3.360	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4ccccc4)[n-]n3c(=O)c2C1	ZINC000019448053	556757031	/nfs/dbraw/zinc/75/70/31/556757031.db2.gz	VLLDXAOYXZTJGR-QFIPXVFZSA-N	0	1	433.556	3.498	40	0		IGABMN
O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000001335330	556776149	/nfs/dbraw/zinc/77/61/49/556776149.db2.gz	VGFNAUIBFCAKIN-UHFFFAOYSA-N	0	1	438.553	3.053	40	0		IGABMN
CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cnn(C)c2)C1	ZINC000019530083	556791295	/nfs/dbraw/zinc/79/12/95/556791295.db2.gz	IGHUZOYNVWEOHN-REWPJTCUSA-N	0	1	428.508	3.288	40	0		IGABMN
COc1ccc(CN2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1	ZINC000019555251	556798410	/nfs/dbraw/zinc/79/84/10/556798410.db2.gz	NGKKMGPGQAYMMI-QHCPKHFHSA-N	0	1	448.571	3.278	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@@H]2O	ZINC000019563030	556804093	/nfs/dbraw/zinc/80/40/93/556804093.db2.gz	SKKINYRCJFFMBT-VQTJNVASSA-N	0	1	429.513	3.097	40	0		IGABMN
COc1cccc([C@@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@]23CCCC(=O)N3)c1	ZINC000019566071	556806591	/nfs/dbraw/zinc/80/65/91/556806591.db2.gz	NLNMWKMLQTWDDW-WIOPSUGQSA-N	0	1	435.572	3.114	40	0		IGABMN
COc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1CN1CCOCC1	ZINC000019569252	556809478	/nfs/dbraw/zinc/80/94/78/556809478.db2.gz	CKPNMUSPLBGNGS-UHFFFAOYSA-N	0	1	426.557	3.020	40	0		IGABMN
Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CC(=O)N2CCCc1ccccc1	ZINC000019696231	556853272	/nfs/dbraw/zinc/85/32/72/556853272.db2.gz	OXVQEROBGOCHBY-IBGZPJMESA-N	0	1	444.539	3.050	40	0		IGABMN
CN(C)c1ncc(CN2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1	ZINC000019698517	556856893	/nfs/dbraw/zinc/85/68/93/556856893.db2.gz	XTABXZIIQURIFV-HSZRJFAPSA-N	0	1	437.563	3.499	40	0		IGABMN
COc1cccc(CC(=O)N2CCC(c3ccc4c(n[nH]c4NCc4ncc[nH]4)n3)CC2)c1	ZINC000019745116	556892041	/nfs/dbraw/zinc/89/20/41/556892041.db2.gz	LTYVIMGBKYQWOR-UHFFFAOYSA-N	0	1	445.527	3.250	40	0		IGABMN
Cc1nc([C@H]2CCN(C(=O)CCCN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCCC1	ZINC000019757411	556901530	/nfs/dbraw/zinc/90/15/30/556901530.db2.gz	BWLHIDGEWANFCM-QFIPXVFZSA-N	0	1	447.583	3.133	40	0		IGABMN
COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F	ZINC000072330583	556906721	/nfs/dbraw/zinc/90/67/21/556906721.db2.gz	ROFWNZLTZRLYSD-JZWVFAODSA-N	0	1	427.520	3.478	40	0		IGABMN
Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1	ZINC000072353926	556928603	/nfs/dbraw/zinc/92/86/03/556928603.db2.gz	WCOOAUVHVJNTMG-XMMPIXPASA-N	0	1	448.611	3.193	40	0		IGABMN
Nc1ncnc2nc([C@H]3CCCN(C(=O)[C@@H](N)c4ccccc4)C3)cc(C(F)(F)F)c12	ZINC000072354388	556929853	/nfs/dbraw/zinc/92/98/53/556929853.db2.gz	DWNDYARYBDXDPS-GUYCJALGSA-N	0	1	430.434	3.032	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCCC1	ZINC000072371238	556937937	/nfs/dbraw/zinc/93/79/37/556937937.db2.gz	GMKMCJAIOGZAOU-INIZCTEOSA-N	0	1	436.478	3.462	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1	ZINC000072371238	556937941	/nfs/dbraw/zinc/93/79/41/556937941.db2.gz	GMKMCJAIOGZAOU-INIZCTEOSA-N	0	1	436.478	3.462	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)ccc1=O	ZINC000072371652	556939890	/nfs/dbraw/zinc/93/98/90/556939890.db2.gz	HCCPSRCDTSCFDW-OAHLLOKOSA-N	0	1	426.904	3.013	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1	ZINC000072371643	556939929	/nfs/dbraw/zinc/93/99/29/556939929.db2.gz	WZXSIFPYHYVEFQ-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
CC(=O)N1CCc2c(nc([C@@H]3CCCN(C)C3)nc2N(C)Cc2ccc3ncccc3c2)C1	ZINC000072376534	556955119	/nfs/dbraw/zinc/95/51/19/556955119.db2.gz	OEPFLLYQJRVGOL-OAQYLSRUSA-N	0	1	444.583	3.375	40	0		IGABMN
COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN(C)Cc4cccnc4)C3)CC2)c1	ZINC000585105113	557037862	/nfs/dbraw/zinc/03/78/62/557037862.db2.gz	YKFPMNGPALMMEE-QHCPKHFHSA-N	0	1	439.556	3.242	40	0		IGABMN
O=C(Cc1ccccn1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12	ZINC000585110199	557043061	/nfs/dbraw/zinc/04/30/61/557043061.db2.gz	VZNNPWRLIUMPMJ-ZEQRLZLVSA-N	0	1	440.547	3.434	40	0		IGABMN
COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC	ZINC000216368030	557144619	/nfs/dbraw/zinc/14/46/19/557144619.db2.gz	FTCSQVTYUVTRBP-UHFFFAOYSA-N	0	1	441.509	3.471	40	0		IGABMN
CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000006288005	557150753	/nfs/dbraw/zinc/15/07/53/557150753.db2.gz	ZAIITSXASPYTJM-UHFFFAOYSA-N	0	1	433.375	3.328	40	0		IGABMN
Cc1cc(C)c(C)c(O[C@H]2CN(Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1	ZINC000585267898	557207318	/nfs/dbraw/zinc/20/73/18/557207318.db2.gz	RZEKEBZXBHTTPA-ZCYQVOJMSA-N	0	1	438.568	3.237	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Br)cc2)c1	ZINC000057313554	557244668	/nfs/dbraw/zinc/24/46/68/557244668.db2.gz	HSOXADQREWNRHT-UHFFFAOYSA-N	0	1	432.318	3.240	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4cccc(OC)c4)[n-]n3c(=O)c2C1	ZINC000100233964	557252069	/nfs/dbraw/zinc/25/20/69/557252069.db2.gz	ATSZQOCSTQINHG-QFIPXVFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4Cc4ccccc4F)cc3nc2C1	ZINC000100234336	557253000	/nfs/dbraw/zinc/25/30/00/557253000.db2.gz	DCVNCSYJAOWJTP-NRFANRHFSA-N	0	1	437.519	3.452	40	0		IGABMN
COc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1Cl	ZINC000013585758	557355836	/nfs/dbraw/zinc/35/58/36/557355836.db2.gz	WRAQXFGLNIHTOF-UHFFFAOYSA-N	0	1	426.903	3.188	40	0		IGABMN
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000016125473	557471736	/nfs/dbraw/zinc/47/17/36/557471736.db2.gz	BZIHYPUKBKVYBM-UHFFFAOYSA-N	0	1	427.320	3.095	40	0		IGABMN
CCCN1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019503409	557500285	/nfs/dbraw/zinc/50/02/85/557500285.db2.gz	MWEOZPNXOIVKRF-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccccc3)s2)c1	ZINC000224302149	557587832	/nfs/dbraw/zinc/58/78/32/557587832.db2.gz	WPOWSPQCPOHRIR-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1)c1ccccc1Cl	ZINC000224473931	557610100	/nfs/dbraw/zinc/61/01/00/557610100.db2.gz	VODRRESNVRBDGE-UHFFFAOYSA-N	0	1	426.882	3.061	40	0		IGABMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1	ZINC000225492502	557729656	/nfs/dbraw/zinc/72/96/56/557729656.db2.gz	DKNFMRRAFBXVBO-UHFFFAOYSA-N	0	1	431.466	3.453	40	0		IGABMN
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CC[C@@H]2O)c1	ZINC000257211099	568670049	/nfs/dbraw/zinc/67/00/49/568670049.db2.gz	BXMMRQLLYBRBHA-VXKWHMMOSA-N	0	1	425.460	3.269	40	0		IGABMN
O=C1O[C@@]2(CN1CCc1ccccc1)CCCN(Cc1ccnc(N3CCCC3)n1)CC2	ZINC000257266551	568696055	/nfs/dbraw/zinc/69/60/55/568696055.db2.gz	MDMAYYXOLJJXHF-VWLOTQADSA-N	0	1	435.572	3.496	40	0		IGABMN
Cc1nc2cc(NC(=O)CN3CCC[C@H]3c3nnc(Cc4ccc(F)cc4)[nH]3)ccc2[nH]1	ZINC000257323779	568721598	/nfs/dbraw/zinc/72/15/98/568721598.db2.gz	WLUPWDYPOYPZEJ-FQEVSTJZSA-N	0	1	433.491	3.495	40	0		IGABMN
CCc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)on1	ZINC000257341314	568729161	/nfs/dbraw/zinc/72/91/61/568729161.db2.gz	ZJUUNWZWFDVVCR-HXUWFJFHSA-N	0	1	430.892	3.449	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccccn3)CC2)C1	ZINC000306134520	568768511	/nfs/dbraw/zinc/76/85/11/568768511.db2.gz	NPWLEQSFWPKLLE-UHFFFAOYSA-N	0	1	436.491	3.053	40	0		IGABMN
COc1ccc(CN2CCO[C@]3(CN(Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1	ZINC000306136626	568769645	/nfs/dbraw/zinc/76/96/45/568769645.db2.gz	PYSHDTWZUCEROF-ZCYQVOJMSA-N	0	1	433.508	3.080	40	0		IGABMN
Cc1cccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C(C)C)C3)n1	ZINC000306140269	568771577	/nfs/dbraw/zinc/77/15/77/568771577.db2.gz	UOOSDSYUIPNXGR-UHFFFAOYSA-N	0	1	429.586	3.464	40	0		IGABMN
CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2	ZINC000306141206	568772038	/nfs/dbraw/zinc/77/20/38/568772038.db2.gz	VOHQZXKDCVKSSV-OAQYLSRUSA-N	0	1	435.568	3.089	40	0		IGABMN
COc1ccc(COC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC	ZINC000027530891	568781705	/nfs/dbraw/zinc/78/17/05/568781705.db2.gz	ICIDGPFGFKGESK-OAQYLSRUSA-N	0	1	434.964	3.053	40	0		IGABMN
COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1	ZINC000019702447	569232074	/nfs/dbraw/zinc/23/20/74/569232074.db2.gz	YTAPQWWMGVIVOJ-MRXNPFEDSA-N	0	1	439.585	3.123	40	0		IGABMN
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009317735	569295341	/nfs/dbraw/zinc/29/53/41/569295341.db2.gz	WFDQUOKRUGEQJS-PIXQIBFHSA-N	0	1	429.520	3.149	40	0		IGABMN
Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1	ZINC000015672654	291360244	/nfs/dbraw/zinc/36/02/44/291360244.db2.gz	IAAJKGASZDCMQU-NNWRFLSQSA-N	0	1	436.604	3.403	40	0	biogenic,in-vitro	IGABMN
COc1ccc(Cl)cc1C(=O)NC(=O)NCCCN1CCN(c2cccc(C)c2)CC1	ZINC000004215333	132270961	/nfs/dbraw/zinc/27/09/61/132270961.db2.gz	IRAICTQDUFYXMD-UHFFFAOYSA-N	0	1	444.963	3.309	40	0	in-man	IGABMN
Cc1cc(-c2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc2-c2ccco2)on1	ZINC000012184449	526045869	/nfs/dbraw/zinc/04/58/69/526045869.db2.gz	QKLBVRUEXNXEMA-UHFFFAOYSA-N	0	1	436.516	3.010	40	0		IGABMN
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(=S)SCc2ccccc2)[C@@H]1O	ZINC000004706208	556006883	/nfs/dbraw/zinc/00/68/83/556006883.db2.gz	KZQHNBMVIOQSQJ-HXIANDDZSA-N	0	1	447.578	3.009	40	0		IGABMN
COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000044847565	556669967	/nfs/dbraw/zinc/66/99/67/556669967.db2.gz	VJQMDXXAULPROW-OAHLLOKOSA-N	0	1	442.497	3.000	40	0		IGABMN
COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1	ZINC000044883072	556674448	/nfs/dbraw/zinc/67/44/48/556674448.db2.gz	DQYATXOEEMOHLS-OAHLLOKOSA-N	0	1	442.497	3.000	40	0		IGABMN
O=C(Cc1ccccc1F)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1	ZINC000257303521	556717517	/nfs/dbraw/zinc/71/75/17/556717517.db2.gz	SHOMUPSJHBOEJS-DGWZTRNLSA-N	0	1	440.559	3.058	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1c(F)cccc1F	ZINC000257305092	556717715	/nfs/dbraw/zinc/71/77/15/556717715.db2.gz	SOKHAKWVVIJJCV-TZBSWOFLSA-N	0	1	444.522	3.268	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019238688	556724035	/nfs/dbraw/zinc/72/40/35/556724035.db2.gz	UYUBFIYIBCKXGX-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019238688	556724039	/nfs/dbraw/zinc/72/40/39/556724039.db2.gz	UYUBFIYIBCKXGX-IBGZPJMESA-N	0	1	435.553	3.070	40	0		IGABMN
O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000054360547	556730453	/nfs/dbraw/zinc/73/04/53/556730453.db2.gz	NPBRRUSTMXSJGV-UHFFFAOYSA-N	0	1	442.566	3.331	40	0		IGABMN
NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(Cc4ccc(Cl)cc4)CC3)no2)C1	ZINC000019333810	556737832	/nfs/dbraw/zinc/73/78/32/556737832.db2.gz	WSBOBKHJLDJSES-KRWDZBQOSA-N	0	1	430.936	3.045	40	0		IGABMN
CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[n-]c(=O)c2C1	ZINC000019448177	556757553	/nfs/dbraw/zinc/75/75/53/556757553.db2.gz	PYLWOZKPSNORJD-JOCHJYFZSA-N	0	1	431.540	3.452	40	0		IGABMN
CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[n-]c(=O)c2C1	ZINC000019448177	556757556	/nfs/dbraw/zinc/75/75/56/556757556.db2.gz	PYLWOZKPSNORJD-JOCHJYFZSA-N	0	1	431.540	3.452	40	0		IGABMN
C[C@@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2)n1cccn1	ZINC000019455305	556765644	/nfs/dbraw/zinc/76/56/44/556765644.db2.gz	JMGLWOXSCHZQKF-UWJYYQICSA-N	0	1	438.576	3.384	40	0		IGABMN
C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCCC2)CC4)CC1	ZINC000019462892	556767824	/nfs/dbraw/zinc/76/78/24/556767824.db2.gz	CKBKQPDEGHBWTI-LPHOPBHVSA-N	0	1	437.588	3.488	40	0		IGABMN
CCN(CC)c1ncc2c(cc(C3CCN(CC(=O)N4CCCC[C@H]4C)CC3)[nH]c2=O)n1	ZINC000019526552	556784829	/nfs/dbraw/zinc/78/48/29/556784829.db2.gz	DAVBPRBEKJCOSH-QGZVFWFLSA-N	0	1	440.592	3.157	40	0		IGABMN
COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@@H]2O	ZINC000019563036	556804142	/nfs/dbraw/zinc/80/41/42/556804142.db2.gz	SKKINYRCJFFMBT-PMACEKPBSA-N	0	1	429.513	3.097	40	0		IGABMN
COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC	ZINC000019567833	556808272	/nfs/dbraw/zinc/80/82/72/556808272.db2.gz	MWQJJGHUYMMUBQ-GOSISDBHSA-N	0	1	436.512	3.396	40	0		IGABMN
Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F	ZINC000019695684	556852445	/nfs/dbraw/zinc/85/24/45/556852445.db2.gz	JDMIHTUFQPBYOC-KRWDZBQOSA-N	0	1	448.502	3.146	40	0		IGABMN
Cc1nc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F	ZINC000019695683	556852489	/nfs/dbraw/zinc/85/24/89/556852489.db2.gz	JDMIHTUFQPBYOC-QGZVFWFLSA-N	0	1	448.502	3.146	40	0		IGABMN
CCN(CC)C(=O)CN1CCC([C@@H]2CC=CCN(Cc3cccc(OC)c3)C2=O)CC1	ZINC000019698361	556856453	/nfs/dbraw/zinc/85/64/53/556856453.db2.gz	DTICMMIRFPVNTN-QHCPKHFHSA-N	0	1	427.589	3.180	40	0		IGABMN
COc1c(C)cccc1CN(C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1	ZINC000019698767	556857817	/nfs/dbraw/zinc/85/78/17/556857817.db2.gz	NUFYCNJBLQHGDO-RPWUZVMVSA-N	0	1	437.584	3.286	40	0		IGABMN
Nc1[nH]nc2nc(C3CCN(C(=O)CC4(O)CCCCC4)CC3)cc(C(F)(F)F)c12	ZINC000019744674	556891299	/nfs/dbraw/zinc/89/12/99/556891299.db2.gz	XNCCOFHTXXDIEO-UHFFFAOYSA-N	0	1	425.455	3.350	40	0		IGABMN
Cn1nccc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072371576	556939512	/nfs/dbraw/zinc/93/95/12/556939512.db2.gz	BXBJAJSSYFKZLP-CQSZACIVSA-N	0	1	433.434	3.413	40	0		IGABMN
Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)n1	ZINC000072374989	556949722	/nfs/dbraw/zinc/94/97/22/556949722.db2.gz	BQVNJHRTKBJBCP-SFHVURJKSA-N	0	1	432.528	3.259	40	0		IGABMN
CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)CC1	ZINC000072378347	556956946	/nfs/dbraw/zinc/95/69/46/556956946.db2.gz	WKCGTZIQVVBVMX-JOCHJYFZSA-N	0	1	428.508	3.092	40	0		IGABMN
COc1cc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC	ZINC000072395322	556966746	/nfs/dbraw/zinc/96/67/46/556966746.db2.gz	JMEXBZNPJGXFMV-CQSZACIVSA-N	0	1	433.459	3.467	40	0		IGABMN
COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN(C)Cc4cccnc4)C3)CC2)c1	ZINC000585105112	557037949	/nfs/dbraw/zinc/03/79/49/557037949.db2.gz	YKFPMNGPALMMEE-HSZRJFAPSA-N	0	1	439.556	3.242	40	0		IGABMN
CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000216347685	557143624	/nfs/dbraw/zinc/14/36/24/557143624.db2.gz	CMKTTXCKNFLKJT-LJQANCHMSA-N	0	1	426.498	3.382	40	0		IGABMN
Cc1nc(-c2cc(C(=O)N3CCCN(C)CC3)c3ccccn23)cn1Cc1cccnc1	ZINC000096266826	557192387	/nfs/dbraw/zinc/19/23/87/557192387.db2.gz	UBMFLOCWNFDXBH-UHFFFAOYSA-N	0	1	428.540	3.332	40	0		IGABMN
COc1cc(CN2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1	ZINC000585271889	557216644	/nfs/dbraw/zinc/21/66/44/557216644.db2.gz	PTXRWCLIPKZFSU-VWLOTQADSA-N	0	1	437.540	3.377	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000100233707	557250976	/nfs/dbraw/zinc/25/09/76/557250976.db2.gz	QBISCNHHXUZRNQ-QGZVFWFLSA-N	0	1	437.519	3.248	40	0		IGABMN
O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@@H+](C[C@H]5CC=CCC5)C4)[n-]n3c(=O)c2C1	ZINC000100233701	557251019	/nfs/dbraw/zinc/25/10/19/557251019.db2.gz	LXFHKHJZCOTKIG-PKOBYXMFSA-N	0	1	435.572	3.265	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1)c1ccccc1Cl	ZINC000223172558	557441267	/nfs/dbraw/zinc/44/12/67/557441267.db2.gz	MCYQZSQOUNAKIY-UHFFFAOYSA-N	0	1	447.007	3.398	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1	ZINC000223453775	557473920	/nfs/dbraw/zinc/47/39/20/557473920.db2.gz	JCVLKEPATVATNF-QGZVFWFLSA-N	0	1	428.539	3.455	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)s2)cc1	ZINC000223502825	557479952	/nfs/dbraw/zinc/47/99/52/557479952.db2.gz	DZIFZBPKAUTBHI-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)s1	ZINC000224016355	557544917	/nfs/dbraw/zinc/54/49/17/557544917.db2.gz	UNGOIUSHJJTYFR-UHFFFAOYSA-N	0	1	441.387	3.015	40	0		IGABMN
CN1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)cn2)CC1	ZINC000224028017	557547383	/nfs/dbraw/zinc/54/73/83/557547383.db2.gz	OIOGLWUYPVHKGZ-UHFFFAOYSA-N	0	1	443.592	3.007	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccc(F)cc3)s2)cc1	ZINC000224050247	557551639	/nfs/dbraw/zinc/55/16/39/557551639.db2.gz	HLRISLWYEUIQGT-UHFFFAOYSA-N	0	1	434.518	3.149	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1)c1ccccc1Cl	ZINC000225128733	557690587	/nfs/dbraw/zinc/69/05/87/557690587.db2.gz	ULFVOFVOXQJHGW-UHFFFAOYSA-N	0	1	440.909	3.104	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(Br)c2)c1	ZINC000059294413	557819832	/nfs/dbraw/zinc/81/98/32/557819832.db2.gz	RIINGAFFCROPHF-UHFFFAOYSA-N	0	1	432.318	3.240	40	0		IGABMN
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000064198483	557832523	/nfs/dbraw/zinc/83/25/23/557832523.db2.gz	FQPBDXQOOCIIQC-ZNVLZIIHSA-N	0	1	429.904	3.450	40	0		IGABMN
Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)c(C)c1	ZINC000585272933	568617985	/nfs/dbraw/zinc/61/79/85/568617985.db2.gz	LABLWAHKHYCPFI-RUZDIDTESA-N	0	1	426.557	3.094	40	0		IGABMN
CNc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)ccn1	ZINC000257219066	568674003	/nfs/dbraw/zinc/67/40/03/568674003.db2.gz	DFMDKAIFKTYRAY-HXUWFJFHSA-N	0	1	441.919	3.335	40	0		IGABMN
C[C@@H]1CN(CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@H](C)O1	ZINC000257225013	568676337	/nfs/dbraw/zinc/67/63/37/568676337.db2.gz	FELWNLZRERFHBI-KDURUIRLSA-N	0	1	433.556	3.265	40	0		IGABMN
CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2[nH]nc3ccccc32)CC1	ZINC000257257800	568692154	/nfs/dbraw/zinc/69/21/54/568692154.db2.gz	KRDSMENNRADJQF-UHFFFAOYSA-N	0	1	434.525	3.289	40	0		IGABMN
COc1ccc(-c2cc(C(=O)N3CCC[C@@H]4N(C(C)=O)CCC[C@@]43C)n[nH]2)c(OC)c1	ZINC000257261299	568693978	/nfs/dbraw/zinc/69/39/78/568693978.db2.gz	LGPKMCYSYREBOU-GMAHTHKFSA-N	0	1	426.517	3.100	40	0		IGABMN
COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCN4C(C)=O)n[nH]2)c(OC)c1	ZINC000257328988	568723888	/nfs/dbraw/zinc/72/38/88/568723888.db2.gz	XHYBSTFNKKIVFW-GMAHTHKFSA-N	0	1	426.517	3.100	40	0		IGABMN
O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3cc4ccccc4o3)C2)O1)C1CC(F)(F)C1	ZINC000306128971	568765369	/nfs/dbraw/zinc/76/53/69/568765369.db2.gz	HPVUNBYDFYNIHR-XMSQKQJNSA-N	0	1	434.483	3.344	40	0		IGABMN
O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC000306141997	568772448	/nfs/dbraw/zinc/77/24/48/568772448.db2.gz	WMFVRJGALSJTLK-UHFFFAOYSA-N	0	1	426.538	3.466	40	0		IGABMN
COc1cccc(CC(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)c1	ZINC000019704942	569233785	/nfs/dbraw/zinc/23/37/85/569233785.db2.gz	HVLHOFXNLCCYMR-QGZVFWFLSA-N	0	1	435.528	3.116	40	0		IGABMN
CN(CCC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1)Cc1ccccn1	ZINC000019713796	569235817	/nfs/dbraw/zinc/23/58/17/569235817.db2.gz	XOLRXYRCYSMUEN-RPWUZVMVSA-N	0	1	434.584	3.476	40	0		IGABMN
CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)N2CCCCC2)C1	ZINC000019739049	569236410	/nfs/dbraw/zinc/23/64/10/569236410.db2.gz	QMBCJRSMUHJDHV-DEOSSOPVSA-N	0	1	430.593	3.058	40	0		IGABMN
Cc1nc([C@@H]2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C	ZINC000019763632	569238023	/nfs/dbraw/zinc/23/80/23/569238023.db2.gz	RNEVIJUNTUHFTK-LJQANCHMSA-N	0	1	432.528	3.449	40	0		IGABMN
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2	ZINC000022805061	520642423	/nfs/dbraw/zinc/64/24/23/520642423.db2.gz	BZRSTTSQTVDAQJ-BBLPPJRLSA-N	0	1	430.589	3.125	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(SC)cc1	ZINC000020484879	525025845	/nfs/dbraw/zinc/02/58/45/525025845.db2.gz	NRQBKMAOOGJKEA-UHFFFAOYSA-N	0	1	442.584	3.002	40	0		IGABMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCOCC1	ZINC000408623877	555992950	/nfs/dbraw/zinc/99/29/50/555992950.db2.gz	QFOODOGTAABDIK-UHFFFAOYSA-N	0	1	428.432	3.287	40	0		IGABMN
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(=S)SCc2ccccc2)[C@H]1O	ZINC000004706205	556006896	/nfs/dbraw/zinc/00/68/96/556006896.db2.gz	KZQHNBMVIOQSQJ-DGGDGUMWSA-N	0	1	447.578	3.009	40	0		IGABMN
COc1ccc(OC)c(NC(=O)CSc2nc(-c3cccc(NC(C)=O)c3)n[nH]2)c1	ZINC000408636830	556019641	/nfs/dbraw/zinc/01/96/41/556019641.db2.gz	CZFDHDUQXZGSFH-UHFFFAOYSA-N	0	1	427.486	3.178	40	0		IGABMN
O=C(/C=C/c1ccccc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1	ZINC000257334638	556706331	/nfs/dbraw/zinc/70/63/31/556706331.db2.gz	YGTCIQDZKOHHHC-OMNMMPEASA-N	0	1	434.580	3.390	40	0		IGABMN
COC1(COc2ccc(C)cc2C)CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000257234214	556709699	/nfs/dbraw/zinc/70/96/99/556709699.db2.gz	GSPHMUISCVLHJQ-UHFFFAOYSA-N	0	1	440.540	3.208	40	0		IGABMN
O=C(C1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343610	556741485	/nfs/dbraw/zinc/74/14/85/556741485.db2.gz	PUWRFTIUZDSTDP-QGZVFWFLSA-N	0	1	426.586	3.286	40	0		IGABMN
O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019404897	556754438	/nfs/dbraw/zinc/75/44/38/556754438.db2.gz	FIUMVBZUNZKESM-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019404897	556754442	/nfs/dbraw/zinc/75/44/42/556754442.db2.gz	FIUMVBZUNZKESM-JOCHJYFZSA-N	0	1	435.572	3.471	40	0		IGABMN
COc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC	ZINC000019497334	556769934	/nfs/dbraw/zinc/76/99/34/556769934.db2.gz	BOCARGOMVYVZFV-CALCHBBNSA-N	0	1	442.560	3.056	40	0		IGABMN
COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2	ZINC000019562214	556803588	/nfs/dbraw/zinc/80/35/88/556803588.db2.gz	KWOFTCDBFNKTBP-RTWAWAEBSA-N	0	1	441.524	3.241	40	0		IGABMN
Cc1oc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1CN1CCOCC1	ZINC000072334788	556907520	/nfs/dbraw/zinc/90/75/20/556907520.db2.gz	YXTRKHUUCNOUQJ-IBGZPJMESA-N	0	1	435.528	3.225	40	0		IGABMN
COc1cc(CN2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O	ZINC000072353180	556925705	/nfs/dbraw/zinc/92/57/05/556925705.db2.gz	LQGUASJFCWMEIE-HXUWFJFHSA-N	0	1	433.512	3.430	40	0		IGABMN
CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1	ZINC000072370116	556933771	/nfs/dbraw/zinc/93/37/71/556933771.db2.gz	ZYRZZSKDYXEMQV-IBGZPJMESA-N	0	1	427.568	3.472	40	0		IGABMN
Cc1nc(N)ncc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1	ZINC000072371532	556939443	/nfs/dbraw/zinc/93/94/43/556939443.db2.gz	OAYLAJHTBIYMHK-GOSISDBHSA-N	0	1	434.544	3.465	40	0		IGABMN
Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1	ZINC000072374981	556949825	/nfs/dbraw/zinc/94/98/25/556949825.db2.gz	XJRIKKBQFJUBSB-GOSISDBHSA-N	0	1	432.528	3.259	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1	ZINC000072378354	556956966	/nfs/dbraw/zinc/95/69/66/556956966.db2.gz	TYLTVKODNMRJJD-SFHVURJKSA-N	0	1	434.493	3.301	40	0		IGABMN
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1	ZINC000020106629	556982958	/nfs/dbraw/zinc/98/29/58/556982958.db2.gz	OKFOVMSMDBMRPU-HNNXBMFYSA-N	0	1	427.482	3.297	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)CC1	ZINC000257295925	556999855	/nfs/dbraw/zinc/99/98/55/556999855.db2.gz	RALVANCGTIJBAH-QWFCFKBJSA-N	0	1	442.604	3.394	40	0		IGABMN
CN(Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(N(C)C)cc1)CC2	ZINC000585103755	557036381	/nfs/dbraw/zinc/03/63/81/557036381.db2.gz	IUVWEKACOFVCCB-XMMPIXPASA-N	0	1	436.600	3.220	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccc(Cl)cc1	ZINC000216261203	557141381	/nfs/dbraw/zinc/14/13/81/557141381.db2.gz	ALOBAYIYGZMJPM-UHFFFAOYSA-N	0	1	444.962	3.075	40	0		IGABMN
CC(C)CN1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037159	557164100	/nfs/dbraw/zinc/16/41/00/557164100.db2.gz	GGNBKVVAOYUQGM-UHFFFAOYSA-N	0	1	429.586	3.403	40	0		IGABMN
CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21	ZINC000096156800	557182177	/nfs/dbraw/zinc/18/21/77/557182177.db2.gz	YUKYIOTXOXWBNS-HSZRJFAPSA-N	0	1	446.599	3.179	40	0		IGABMN
Cc1cccc(CN2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3Cc2ccccc2)n1	ZINC000096230348	557184712	/nfs/dbraw/zinc/18/47/12/557184712.db2.gz	ABJCCPAMMHRASW-UHFFFAOYSA-N	0	1	444.583	3.007	40	0		IGABMN
CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4Cc4ccccn4)cc3nc2C1	ZINC000100234424	557252847	/nfs/dbraw/zinc/25/28/47/557252847.db2.gz	BQVUWLKBGUYYDH-FQEVSTJZSA-N	0	1	434.544	3.098	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1)c1ccccc1Cl	ZINC000222894015	557399564	/nfs/dbraw/zinc/39/95/64/557399564.db2.gz	BKWOUBHCACMIDK-UHFFFAOYSA-N	0	1	436.946	3.355	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1)c1ccc(Cl)cc1	ZINC000223669118	557499799	/nfs/dbraw/zinc/49/97/99/557499799.db2.gz	QVNUFMYEJVHCGW-UHFFFAOYSA-N	0	1	447.007	3.398	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccccc3)s2)cc1	ZINC000223948831	557532986	/nfs/dbraw/zinc/53/29/86/557532986.db2.gz	FOJAXWINEOPNDJ-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1)c1ccccc1	ZINC000224332294	557592820	/nfs/dbraw/zinc/59/28/20/557592820.db2.gz	WRNQYRLZDBNMOP-UHFFFAOYSA-N	0	1	439.316	3.354	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2)s1	ZINC000224743080	557646884	/nfs/dbraw/zinc/64/68/84/557646884.db2.gz	ZZLCUVHUXSDDRQ-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H]3CCCc4ccccc43)s2)cc1	ZINC000225624239	557753509	/nfs/dbraw/zinc/75/35/09/557753509.db2.gz	XWBWSEAMTQOYOO-KRWDZBQOSA-N	0	1	428.539	3.455	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)s2)cc1	ZINC000225624211	557753521	/nfs/dbraw/zinc/75/35/21/557753521.db2.gz	XWBWSEAMTQOYOO-QGZVFWFLSA-N	0	1	428.539	3.455	40	0		IGABMN
CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)s1	ZINC000225768721	557775158	/nfs/dbraw/zinc/77/51/58/557775158.db2.gz	KKURRSMAJZZJNF-UHFFFAOYSA-N	0	1	441.387	3.015	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)Cc2ccccc2)s1	ZINC000225832006	557782681	/nfs/dbraw/zinc/78/26/81/557782681.db2.gz	ZSFKFHASENGODG-UHFFFAOYSA-N	0	1	430.555	3.398	40	0		IGABMN
COc1ccc(C)cc1CN1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1	ZINC000257234656	568681268	/nfs/dbraw/zinc/68/12/68/568681268.db2.gz	GUNTVXBXXNSIJW-IBGZPJMESA-N	0	1	448.589	3.253	40	0		IGABMN
COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@H]4N(C(C)=O)CCC[C@@]43C)n[nH]2)c1	ZINC000257272098	568698362	/nfs/dbraw/zinc/69/83/62/568698362.db2.gz	NBBLUZHCFLMHBR-GGAORHGYSA-N	0	1	426.517	3.100	40	0		IGABMN
CCCN1CCN(C(=O)C2=NC(=O)NC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O	ZINC000257303002	568712311	/nfs/dbraw/zinc/71/23/11/568712311.db2.gz	SFJQSSBFDLBBHY-FQEVSTJZSA-N	0	1	432.524	3.336	40	0		IGABMN
Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1	ZINC000257340929	568728921	/nfs/dbraw/zinc/72/89/21/568728921.db2.gz	ZIDVUBKDYFHJMF-HXUWFJFHSA-N	0	1	435.450	3.357	40	0		IGABMN
O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1	ZINC000306129700	568765944	/nfs/dbraw/zinc/76/59/44/568765944.db2.gz	IKJLMXRKKDDTFB-RDGATRHJSA-N	0	1	432.499	3.013	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccco3)CC2)C1	ZINC000306140068	568771443	/nfs/dbraw/zinc/77/14/43/568771443.db2.gz	UIPISTILPNEZJS-UHFFFAOYSA-N	0	1	425.464	3.251	40	0		IGABMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000101342568	568782139	/nfs/dbraw/zinc/78/21/39/568782139.db2.gz	ATPCUYQGOXKMIT-UVLLPENVSA-N	0	1	442.302	3.425	40	0		IGABMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000015998845	568862282	/nfs/dbraw/zinc/86/22/82/568862282.db2.gz	ATPCUYQGOXKMIT-KLSTYFJDSA-N	0	1	442.302	3.425	40	0		IGABMN
CCOC(=O)C1C(CNCc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000013565844	568905226	/nfs/dbraw/zinc/90/52/26/568905226.db2.gz	ARDWTABHJXTEDX-HXUWFJFHSA-N	0	1	429.904	3.310	40	0		IGABMN
CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2C)C1	ZINC000019530077	569226768	/nfs/dbraw/zinc/22/67/68/569226768.db2.gz	LBYJGURMPUJQAJ-NFBKMPQASA-N	0	1	428.508	3.288	40	0		IGABMN
CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2C)C1	ZINC000019530079	569226802	/nfs/dbraw/zinc/22/68/02/569226802.db2.gz	LBYJGURMPUJQAJ-OFNKIYASSA-N	0	1	428.508	3.288	40	0		IGABMN
CCc1ncc(CN2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)cn1	ZINC000019696985	569229925	/nfs/dbraw/zinc/22/99/25/569229925.db2.gz	GEDSCNJNTFZOAW-UHFFFAOYSA-N	0	1	434.544	3.177	40	0		IGABMN
COc1ccc(CNC(=O)[C@H]2CN(Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1	ZINC000019701531	569231511	/nfs/dbraw/zinc/23/15/11/569231511.db2.gz	MITOBNPFVFFVRN-QHCPKHFHSA-N	0	1	441.535	3.393	40	0		IGABMN
COc1ccc(CNC(=O)[C@@H]2CN(Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1	ZINC000019701530	569231537	/nfs/dbraw/zinc/23/15/37/569231537.db2.gz	MITOBNPFVFFVRN-HSZRJFAPSA-N	0	1	441.535	3.393	40	0		IGABMN
Cc1nc([C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)ncc1C(=O)Nc1ccccc1F	ZINC000019758003	569237377	/nfs/dbraw/zinc/23/73/77/569237377.db2.gz	DISZNFAKTHGLMY-SFHVURJKSA-N	0	1	439.535	3.224	40	0		IGABMN
Cc1nc([C@H]2CCN(C(=O)CN3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1	ZINC000019757959	569237422	/nfs/dbraw/zinc/23/74/22/569237422.db2.gz	FCCAHIMHUNFCEB-KRWDZBQOSA-N	0	1	441.963	3.493	40	0		IGABMN
CCn1cc(CN2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1	ZINC000012235436	523370806	/nfs/dbraw/zinc/37/08/06/523370806.db2.gz	CAWWJAGKNUFFDO-DVECYGJZSA-N	0	1	426.561	3.242	40	0		IGABMN
CCn1cc(CN2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1	ZINC000012235441	523374104	/nfs/dbraw/zinc/37/41/04/523374104.db2.gz	CAWWJAGKNUFFDO-CYFREDJKSA-N	0	1	426.561	3.242	40	0		IGABMN
COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1	ZINC000022511370	526237601	/nfs/dbraw/zinc/23/76/01/526237601.db2.gz	XENQQIRLOCNOHM-HNNXBMFYSA-N	0	1	427.482	3.297	40	0		IGABMN
O[C@@H](COCCOc1ccc(F)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000041690285	527657502	/nfs/dbraw/zinc/65/75/02/527657502.db2.gz	BJWFDEMYVKXGMV-HXUWFJFHSA-N	0	1	442.453	3.423	40	0		IGABMN
CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1	ZINC000408598223	555956565	/nfs/dbraw/zinc/95/65/65/555956565.db2.gz	YDWYJRMUPJNFBX-UHFFFAOYSA-N	0	1	429.878	3.100	40	0		IGABMN
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1	ZINC000408604284	555974150	/nfs/dbraw/zinc/97/41/50/555974150.db2.gz	LTATZWSQURIMLO-CYBMUJFWSA-N	0	1	426.922	3.441	40	0		IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000043730578	556186912	/nfs/dbraw/zinc/18/69/12/556186912.db2.gz	FKANVUAATCYCSN-RXKDXDIWSA-N	0	1	448.361	3.014	40	0		IGABMN
COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000030868811	556513246	/nfs/dbraw/zinc/51/32/46/556513246.db2.gz	IDAYTKDFHBDGCV-UHFFFAOYSA-N	0	1	444.538	3.325	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cc2ccccc2[nH]1	ZINC000257208703	556702292	/nfs/dbraw/zinc/70/22/92/556702292.db2.gz	BNIBLKXFBFBIJN-RGSZASNESA-N	0	1	447.579	3.471	40	0		IGABMN
Cc1nc(C)c(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)s1	ZINC000257250121	556711296	/nfs/dbraw/zinc/71/12/96/556711296.db2.gz	JLCRJZDGSWUYGA-PQNGQFLHSA-N	0	1	443.613	3.063	40	0		IGABMN
O=C([O-])COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc1	ZINC000257292574	556716345	/nfs/dbraw/zinc/71/63/45/556716345.db2.gz	QMDPILVLDGMXHL-XUZZJYLKSA-N	0	1	426.488	3.318	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019238691	556724162	/nfs/dbraw/zinc/72/41/62/556724162.db2.gz	ZVHPIGVNPCHYON-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019238691	556724163	/nfs/dbraw/zinc/72/41/63/556724163.db2.gz	ZVHPIGVNPCHYON-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019404894	556754551	/nfs/dbraw/zinc/75/45/51/556754551.db2.gz	FIUMVBZUNZKESM-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019404894	556754554	/nfs/dbraw/zinc/75/45/54/556754554.db2.gz	FIUMVBZUNZKESM-QFIPXVFZSA-N	0	1	435.572	3.471	40	0		IGABMN
O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019406438	556755073	/nfs/dbraw/zinc/75/50/73/556755073.db2.gz	BLKHOGLHSQQNKI-HXUWFJFHSA-N	0	1	426.586	3.428	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5[C@@H]6CCCC[C@H]56)CC4)[n-]n3c(=O)c2C1	ZINC000019448121	556757153	/nfs/dbraw/zinc/75/71/53/556757153.db2.gz	CDFRLPGUCGBTKT-NHJWOMDBSA-N	0	1	437.588	3.344	40	0		IGABMN
CCc1nn(C)c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C	ZINC000019521055	556777854	/nfs/dbraw/zinc/77/78/54/556777854.db2.gz	QUJHMPGTQPDTFI-UHFFFAOYSA-N	0	1	438.551	3.225	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1	ZINC000019555532	556798185	/nfs/dbraw/zinc/79/81/85/556798185.db2.gz	YGTPUNJXFOOHSL-QFIPXVFZSA-N	0	1	445.523	3.121	40	0		IGABMN
Cc1ccc(Cc2cc(C)nc(C3CCN(CC(=O)N4CCC(C(N)=O)CC4)CC3)c2)cc1	ZINC000019687055	556842035	/nfs/dbraw/zinc/84/20/35/556842035.db2.gz	IFCRQDDZBSOMQR-UHFFFAOYSA-N	0	1	448.611	3.193	40	0		IGABMN
Cc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1	ZINC000019703472	556861773	/nfs/dbraw/zinc/86/17/73/556861773.db2.gz	UIBLBIAMHXLKMQ-UHFFFAOYSA-N	0	1	444.539	3.050	40	0		IGABMN
Cc1ccc(-c2ncc(CN3CCC(Cc4nn(C)cc4C(=O)N(C)C)CC3)cn2)cc1	ZINC000019756335	556900002	/nfs/dbraw/zinc/90/00/02/556900002.db2.gz	RLBGMUSUKWPTGW-UHFFFAOYSA-N	0	1	432.572	3.342	40	0		IGABMN
CCc1ncc(CN2CCC(Cc3ncncc3C(=O)NCc3ccccc3F)CC2)cn1	ZINC000019757168	556901392	/nfs/dbraw/zinc/90/13/92/556901392.db2.gz	NIEFPODEEGMJMH-UHFFFAOYSA-N	0	1	448.546	3.353	40	0		IGABMN
COc1cc(CN2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O	ZINC000072353181	556925690	/nfs/dbraw/zinc/92/56/90/556925690.db2.gz	LQGUASJFCWMEIE-FQEVSTJZSA-N	0	1	433.512	3.430	40	0		IGABMN
Cc1cccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2I)c1	ZINC000409043813	556930030	/nfs/dbraw/zinc/93/00/30/556930030.db2.gz	ARPFOERUMRBRSK-OQLLNIDSSA-N	0	1	434.233	3.359	40	0		IGABMN
O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)N1	ZINC000409048361	556931698	/nfs/dbraw/zinc/93/16/98/556931698.db2.gz	SQYQIEMJOUFZSR-RIYZIHGNSA-N	0	1	438.196	3.190	40	0		IGABMN
CN(CCC(=O)N1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O)Cc1ccccn1	ZINC000072370264	556934305	/nfs/dbraw/zinc/93/43/05/556934305.db2.gz	OPKLNAVTKLHIEM-SFHVURJKSA-N	0	1	436.581	3.451	40	0		IGABMN
COc1ccccc1[C@H](CNc1cc(-c2ccnc(N3CCOCC3)c2)nc(C)n1)N(C)C	ZINC000072373364	556946550	/nfs/dbraw/zinc/94/65/50/556946550.db2.gz	WYPRYJLDEHJOQT-QFIPXVFZSA-N	0	1	448.571	3.407	40	0		IGABMN
Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000020047902	556973839	/nfs/dbraw/zinc/97/38/39/556973839.db2.gz	FTXPFMZGQOQCGD-UHFFFAOYSA-N	0	1	428.539	3.458	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1	ZINC000257300607	557000697	/nfs/dbraw/zinc/00/06/97/557000697.db2.gz	RVARIKQFKGPQMK-ZHALLVOQSA-N	0	1	428.577	3.004	40	0		IGABMN
Cc1ccccc1N1C(=O)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409280720	557046513	/nfs/dbraw/zinc/04/65/13/557046513.db2.gz	BYOUOUGMRLCDDW-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
Cc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409280720	557046518	/nfs/dbraw/zinc/04/65/18/557046518.db2.gz	BYOUOUGMRLCDDW-SFTDATJTSA-N	0	1	429.428	3.319	40	0		IGABMN
CCOCCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1	ZINC000096263948	557191578	/nfs/dbraw/zinc/19/15/78/557191578.db2.gz	LQXSBZCQORMCTH-SFTDATJTSA-N	0	1	430.570	3.139	40	0		IGABMN
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)cc2[nH]c1=O	ZINC000100065508	557239242	/nfs/dbraw/zinc/23/92/42/557239242.db2.gz	VTUACWXHWCDAGB-UHFFFAOYSA-N	0	1	425.491	3.168	40	0		IGABMN
CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000100233716	557250901	/nfs/dbraw/zinc/25/09/01/557250901.db2.gz	BMJNOZMPNJYYAK-KRWDZBQOSA-N	0	1	437.519	3.248	40	0		IGABMN
CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233683	557251055	/nfs/dbraw/zinc/25/10/55/557251055.db2.gz	NXDSENOAJOHQGS-HKUYNNGSSA-N	0	1	448.571	3.140	40	0		IGABMN
CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCC[N@H+]4Cc4ccccn4)cc3nc2C1	ZINC000100234427	557252936	/nfs/dbraw/zinc/25/29/36/557252936.db2.gz	BQVUWLKBGUYYDH-HXUWFJFHSA-N	0	1	434.544	3.098	40	0		IGABMN
CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@H+]4Cc4ccncc4)cc3nc2C1	ZINC000100234410	557252985	/nfs/dbraw/zinc/25/29/85/557252985.db2.gz	NFOIYRFEWLHJQZ-FQEVSTJZSA-N	0	1	434.544	3.098	40	0		IGABMN
COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000013566913	557345693	/nfs/dbraw/zinc/34/56/93/557345693.db2.gz	FPHCYWFEHFMYBL-UHFFFAOYSA-N	0	1	437.481	3.164	40	0		IGABMN
CC(=O)c1cccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)c1	ZINC000013585973	557355995	/nfs/dbraw/zinc/35/59/95/557355995.db2.gz	MZKNJGWOVJEQTH-UHFFFAOYSA-N	0	1	432.523	3.345	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1	ZINC000019499541	557499648	/nfs/dbraw/zinc/49/96/48/557499648.db2.gz	WAZACYLMXZCYEB-NRFANRHFSA-N	0	1	437.592	3.003	40	0		IGABMN
CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1)C(=O)OC	ZINC000036569334	557516466	/nfs/dbraw/zinc/51/64/66/557516466.db2.gz	MAMLAFKJESIHIL-NJAPINKUSA-N	0	1	449.349	3.417	40	0		IGABMN
CN1CCN(c2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1	ZINC000224039607	557549819	/nfs/dbraw/zinc/54/98/19/557549819.db2.gz	VUUDWTMDXIFCLF-NKFKGCMQSA-N	0	1	430.508	3.441	40	0		IGABMN
Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000225046383	557682606	/nfs/dbraw/zinc/68/26/06/557682606.db2.gz	XSIAZLWCHWXEKB-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1	ZINC000225171099	557695859	/nfs/dbraw/zinc/69/58/59/557695859.db2.gz	BVDIVDHACZSMCI-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1	ZINC000061992835	557829702	/nfs/dbraw/zinc/82/97/02/557829702.db2.gz	HDQONPFINLODRO-MKZKIRMCSA-N	0	1	440.584	3.102	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000061997529	557829713	/nfs/dbraw/zinc/82/97/13/557829713.db2.gz	DLPGSFRECXFFPX-KAJJKBQMSA-N	0	1	428.548	3.233	40	0		IGABMN
O=C(C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)Nc1ccc2c(c1)OCCO2	ZINC000257215251	568672103	/nfs/dbraw/zinc/67/21/03/568672103.db2.gz	CPHOBPNOUPLREV-VSKRKVRLSA-N	0	1	449.551	3.141	40	0		IGABMN
O=C(CN1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)Nc1ccc2c(c1)OCCO2	ZINC000257215251	568672105	/nfs/dbraw/zinc/67/21/05/568672105.db2.gz	CPHOBPNOUPLREV-VSKRKVRLSA-N	0	1	449.551	3.141	40	0		IGABMN
CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1	ZINC000257225018	568676410	/nfs/dbraw/zinc/67/64/10/568676410.db2.gz	FEMMGPUMUMPRDX-OAQYLSRUSA-N	0	1	444.583	3.148	40	0		IGABMN
Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)CN4CCc5ccccc5C4)C3)cc2[nH]1	ZINC000257248616	568687855	/nfs/dbraw/zinc/68/78/55/568687855.db2.gz	JELYHZINEAAEOQ-IBGZPJMESA-N	0	1	445.567	3.497	40	0		IGABMN
Cc1ncc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c(C)n1	ZINC000257269829	568697444	/nfs/dbraw/zinc/69/74/44/568697444.db2.gz	MROJNDMQJHZFFY-OAQYLSRUSA-N	0	1	441.919	3.305	40	0		IGABMN
COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@H]4N(C(C)=O)CCC[C@@]43C)n[nH]2)c1	ZINC000257272099	568698369	/nfs/dbraw/zinc/69/83/69/568698369.db2.gz	NBBLUZHCFLMHBR-GMAHTHKFSA-N	0	1	426.517	3.100	40	0		IGABMN
CN(C)CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1	ZINC000257280513	568702494	/nfs/dbraw/zinc/70/24/94/568702494.db2.gz	OLEGCBSOTVWZNS-QHCPKHFHSA-N	0	1	435.996	3.292	40	0		IGABMN
CN(CC(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1nc2ccccc2[nH]1	ZINC000257314520	568717392	/nfs/dbraw/zinc/71/73/92/568717392.db2.gz	UXIRQBCDQDMQJC-HXUWFJFHSA-N	0	1	447.518	3.206	40	0		IGABMN
CN(CC(=O)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1)Cc1nc2ccccc2[nH]1	ZINC000257314520	568717393	/nfs/dbraw/zinc/71/73/93/568717393.db2.gz	UXIRQBCDQDMQJC-HXUWFJFHSA-N	0	1	447.518	3.206	40	0		IGABMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101342795	568782169	/nfs/dbraw/zinc/78/21/69/568782169.db2.gz	OITGREQAXLVEJB-FZONSQQESA-N	0	1	439.874	3.219	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000253599788	569209057	/nfs/dbraw/zinc/20/90/57/569209057.db2.gz	UNNMZLDFUWJFHS-VQIMIIECSA-N	0	1	442.585	3.343	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000253599788	569209058	/nfs/dbraw/zinc/20/90/58/569209058.db2.gz	UNNMZLDFUWJFHS-VQIMIIECSA-N	0	1	442.585	3.343	40	0		IGABMN
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N	ZINC000009972524	569220227	/nfs/dbraw/zinc/22/02/27/569220227.db2.gz	AUWMTCALSLKZQM-OQLLNIDSSA-N	0	1	427.869	3.082	40	0		IGABMN
O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343605	569226364	/nfs/dbraw/zinc/22/63/64/569226364.db2.gz	DQOYQWZNYMWPOF-QZTJIDSGSA-N	0	1	438.597	3.452	40	0		IGABMN
NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C2CN(Cc3ccccc3)C2)CCO1	ZINC000019697779	569230067	/nfs/dbraw/zinc/23/00/67/569230067.db2.gz	XZXJXOUSMNZZKT-IBGZPJMESA-N	0	1	435.549	3.032	40	0		IGABMN
Cc1nc([C@H]2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C	ZINC000019763634	569238097	/nfs/dbraw/zinc/23/80/97/569238097.db2.gz	RNEVIJUNTUHFTK-IBGZPJMESA-N	0	1	432.528	3.449	40	0		IGABMN
CNc1nc(C2CCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)nc2c1CCNC2	ZINC000019710915	569327580	/nfs/dbraw/zinc/32/75/80/569327580.db2.gz	RFDPINKNULDLEI-OAHLLOKOSA-N	0	1	427.980	3.402	40	0		IGABMN
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC	ZINC000096306055	569392191	/nfs/dbraw/zinc/39/21/91/569392191.db2.gz	HZSXYUMSQSOAHU-MRXNPFEDSA-N	0	1	448.932	3.058	40	0		IGABMN
COCCOc1cc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)ccc1OC	ZINC000012255398	524041138	/nfs/dbraw/zinc/04/11/38/524041138.db2.gz	SJMXERXNMMIZQQ-GOSISDBHSA-N	0	1	426.517	3.075	40	0		IGABMN
Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnc(N(C)C)nc3)CC2)on1	ZINC000012232378	526046027	/nfs/dbraw/zinc/04/60/27/526046027.db2.gz	YNALZWQXWHPSSA-UHFFFAOYSA-N	0	1	448.575	3.276	40	0		IGABMN
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCn2ccnc2)ccc1Cl	ZINC000408620674	555989572	/nfs/dbraw/zinc/98/95/72/555989572.db2.gz	QJAJNSUAHCEWKR-UHFFFAOYSA-N	0	1	432.933	3.466	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(C)ccc1C	ZINC000016153384	556585824	/nfs/dbraw/zinc/58/58/24/556585824.db2.gz	GJJVTQOAAOONQM-UHFFFAOYSA-N	0	1	438.571	3.287	40	0		IGABMN
Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000044886151	556675921	/nfs/dbraw/zinc/67/59/21/556675921.db2.gz	NSFBUTCEYPSLAU-UHFFFAOYSA-N	0	1	428.539	3.458	40	0		IGABMN
Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)on1	ZINC000019119910	556700814	/nfs/dbraw/zinc/70/08/14/556700814.db2.gz	TVEUTDQWWDQFIG-FQEVSTJZSA-N	0	1	439.560	3.372	40	0		IGABMN
Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)on1	ZINC000019119910	556700815	/nfs/dbraw/zinc/70/08/15/556700815.db2.gz	TVEUTDQWWDQFIG-FQEVSTJZSA-N	0	1	439.560	3.372	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000257211428	556702167	/nfs/dbraw/zinc/70/21/67/556702167.db2.gz	BYURWAQIXGHPOA-SONWIMMPSA-N	0	1	426.532	3.129	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000257211429	556702268	/nfs/dbraw/zinc/70/22/68/556702268.db2.gz	BYURWAQIXGHPOA-VDKIKQQVSA-N	0	1	426.532	3.129	40	0		IGABMN
Cc1ccn(C[C@H](C)C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)n1	ZINC000019238011	556722776	/nfs/dbraw/zinc/72/27/76/556722776.db2.gz	URRONVXSCRIRPF-KRWDZBQOSA-N	0	1	438.551	3.148	40	0		IGABMN
O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2	ZINC000019345589	556742629	/nfs/dbraw/zinc/74/26/29/556742629.db2.gz	QSPNGYMPRPVUAK-PMACEKPBSA-N	0	1	429.488	3.371	40	0		IGABMN
C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCCC2)CC4)CC1	ZINC000019462896	556767773	/nfs/dbraw/zinc/76/77/73/556767773.db2.gz	CKBKQPDEGHBWTI-QFBILLFUSA-N	0	1	437.588	3.488	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)cc1	ZINC000019555526	556798386	/nfs/dbraw/zinc/79/83/86/556798386.db2.gz	OVDWYUKOZLZBOF-QFIPXVFZSA-N	0	1	445.523	3.121	40	0		IGABMN
COc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO	ZINC000019570366	556810443	/nfs/dbraw/zinc/81/04/43/556810443.db2.gz	CMUNYIFQEUOXCX-JOCHJYFZSA-N	0	1	448.571	3.278	40	0		IGABMN
COc1ccccc1CN1CCCc2c(C)nc(C3CCN(C(=O)c4ccn[nH]4)CC3)nc21	ZINC000019707890	556867756	/nfs/dbraw/zinc/86/77/56/556867756.db2.gz	OISQMEASVSQWDO-UHFFFAOYSA-N	0	1	446.555	3.489	40	0		IGABMN
C=C1N=C(SCC(=O)OC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC	ZINC000408990503	556911201	/nfs/dbraw/zinc/91/12/01/556911201.db2.gz	NKLABUKWYPNKGB-HNNXBMFYSA-N	0	1	427.320	3.193	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3OC)CC2)o1	ZINC000072344902	556915783	/nfs/dbraw/zinc/91/57/83/556915783.db2.gz	DCDDWUXFHLBDEG-IBGZPJMESA-N	0	1	448.589	3.335	40	0		IGABMN
O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCOCC1	ZINC000072358541	556931826	/nfs/dbraw/zinc/93/18/26/556931826.db2.gz	UFVMCFAIGXQQJZ-QGZVFWFLSA-N	0	1	434.462	3.201	40	0		IGABMN
O=C(CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCOCC1	ZINC000072358542	556931843	/nfs/dbraw/zinc/93/18/43/556931843.db2.gz	UFVMCFAIGXQQJZ-KRWDZBQOSA-N	0	1	434.462	3.201	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCCC1	ZINC000072371237	556937551	/nfs/dbraw/zinc/93/75/51/556937551.db2.gz	GMKMCJAIOGZAOU-MRXNPFEDSA-N	0	1	436.478	3.462	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCCC1	ZINC000072371237	556937555	/nfs/dbraw/zinc/93/75/55/556937555.db2.gz	GMKMCJAIOGZAOU-MRXNPFEDSA-N	0	1	436.478	3.462	40	0		IGABMN
COc1ccccc1CCN1CCCc2c(C)nc([C@H]3CCCN3C(=O)CN(C)C)nc21	ZINC000072373763	556946597	/nfs/dbraw/zinc/94/65/97/556946597.db2.gz	PRONARAISMDZSI-OAQYLSRUSA-N	0	1	437.588	3.014	40	0		IGABMN
CNc1nc([C@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CCNC2	ZINC000072376578	556955059	/nfs/dbraw/zinc/95/50/59/556955059.db2.gz	DJKXBSQSVGMBSU-JOCHJYFZSA-N	0	1	436.604	3.128	40	0		IGABMN
CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020107643	556983755	/nfs/dbraw/zinc/98/37/55/556983755.db2.gz	JAEIYHAKNAJTEY-LJQANCHMSA-N	0	1	442.497	3.082	40	0		IGABMN
CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)CC1	ZINC000257295924	557000012	/nfs/dbraw/zinc/00/00/12/557000012.db2.gz	RALVANCGTIJBAH-BJLQDIEVSA-N	0	1	442.604	3.394	40	0		IGABMN
O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1	ZINC000008298687	557054841	/nfs/dbraw/zinc/05/48/41/557054841.db2.gz	YAPGZHMJFRRPEE-CKUXNOBLSA-N	0	1	449.530	3.023	40	0	biogenic,in-vitro	IGABMN
Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3S(C)(=O)=O)o1	ZINC000096036919	557164195	/nfs/dbraw/zinc/16/41/95/557164195.db2.gz	RVYJIEFYNKTLQG-UHFFFAOYSA-N	0	1	440.569	3.218	40	0		IGABMN
Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCCN4CCO)CC3)n2)s1	ZINC000585262680	557202969	/nfs/dbraw/zinc/20/29/69/557202969.db2.gz	SFOFXDFXCWCXMU-LJQANCHMSA-N	0	1	429.590	3.143	40	0		IGABMN
CC(C)c1ccc(O[C@H]2CN(Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1	ZINC000585267869	557207198	/nfs/dbraw/zinc/20/71/98/557207198.db2.gz	KUYODQJOWWXLCE-DQEYMECFSA-N	0	1	438.568	3.435	40	0		IGABMN
COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[n-]n4c(=O)c2C3)ccc1OC(F)F	ZINC000100219533	557248682	/nfs/dbraw/zinc/24/86/82/557248682.db2.gz	FIOMNLBIMCESKV-CABCVRRESA-N	0	1	430.455	3.485	40	0		IGABMN
CC(C)[N@H+]1CCc2c(=O)n3[n-]c([C@@H]4CCCN4C(=O)Cc4ccccc4F)cc3nc2C1	ZINC000100234267	557252480	/nfs/dbraw/zinc/25/24/80/557252480.db2.gz	JQMGUHYWCQIGNV-NRFANRHFSA-N	0	1	437.519	3.247	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCC[N@H+]4Cc4ccsc4)[n-]n3c2=O)C1	ZINC000100234386	557252863	/nfs/dbraw/zinc/25/28/63/557252863.db2.gz	FTMSUSBAYPMCDM-IBGZPJMESA-N	0	1	425.558	3.374	40	0		IGABMN
CCOc1ccccc1C[N@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100243104	557254847	/nfs/dbraw/zinc/25/48/47/557254847.db2.gz	KJAOTZJXTDVROF-QFIPXVFZSA-N	0	1	449.555	3.465	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@@H+]4Cc4ccc(F)c(F)c4)[n-]n3c(=O)c2C1	ZINC000100243010	557255075	/nfs/dbraw/zinc/25/50/75/557255075.db2.gz	MNHRZXFASMCPCY-NRFANRHFSA-N	0	1	441.482	3.345	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4ccc(F)c(F)c4)[n-]n3c(=O)c2C1	ZINC000100243010	557255078	/nfs/dbraw/zinc/25/50/78/557255078.db2.gz	MNHRZXFASMCPCY-NRFANRHFSA-N	0	1	441.482	3.345	40	0		IGABMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033726325	557353881	/nfs/dbraw/zinc/35/38/81/557353881.db2.gz	ZNIAEOAOTYSHDY-ZVVFGRKBSA-N	0	1	435.911	3.388	40	0		IGABMN
O=C(Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1)c1ccccc1	ZINC000223116074	557433681	/nfs/dbraw/zinc/43/36/81/557433681.db2.gz	OJKAZBYTISYVQJ-UHFFFAOYSA-N	0	1	436.946	3.355	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1	ZINC000019527935	557501772	/nfs/dbraw/zinc/50/17/72/557501772.db2.gz	KZMAXOWOQRYWOW-JOCHJYFZSA-N	0	1	435.576	3.055	40	0		IGABMN
O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000100029668	557535942	/nfs/dbraw/zinc/53/59/42/557535942.db2.gz	FBVFZWUMDDXLLG-ROUUACIJSA-N	0	1	426.586	3.374	40	0	in-vitro	IGABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)s1	ZINC000224665300	557638067	/nfs/dbraw/zinc/63/80/67/557638067.db2.gz	CJSQTUIXBKDLPI-UHFFFAOYSA-N	0	1	449.023	3.388	40	0		IGABMN
CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	ZINC000225167003	557695166	/nfs/dbraw/zinc/69/51/66/557695166.db2.gz	PJOIZYSNJGGJSN-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1cccc(CSCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1	ZINC000225684943	557763200	/nfs/dbraw/zinc/76/32/00/557763200.db2.gz	WXSKUNZUMAQBPH-UHFFFAOYSA-N	0	1	428.605	3.043	40	0		IGABMN
COc1cc2c(cc1CNc1cc(-c3cn[nH]c3[C@H]3CCN(C(C)=O)C3)ccn1)OCCO2	ZINC000257208788	568668978	/nfs/dbraw/zinc/66/89/78/568668978.db2.gz	BNPBTJCWESQNKU-KRWDZBQOSA-N	0	1	449.511	3.199	40	0		IGABMN
CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)c(C)n1	ZINC000257210154	568669689	/nfs/dbraw/zinc/66/96/89/568669689.db2.gz	BTKUVZFSHKBYRE-INIZCTEOSA-N	0	1	444.536	3.371	40	0		IGABMN
Cc1cc(C)n(CCC(=O)N2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c(=O)n1	ZINC000257257699	568692055	/nfs/dbraw/zinc/69/20/55/568692055.db2.gz	KQTQWWDHXZHUQI-UHFFFAOYSA-N	0	1	446.555	3.498	40	0		IGABMN
Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@](C(N)=O)(c2ccccn2)C1	ZINC000257275625	568700416	/nfs/dbraw/zinc/70/04/16/568700416.db2.gz	NQEAYWXMHLEJOX-AREMUKBSSA-N	0	1	432.568	3.438	40	0		IGABMN
COc1ccc(COC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1OC	ZINC000026781581	568862781	/nfs/dbraw/zinc/86/27/81/568862781.db2.gz	JGWVPQSUPOJQMA-HXUWFJFHSA-N	0	1	434.964	3.365	40	0		IGABMN
CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Br)cc2)CC1	ZINC000034702251	569247382	/nfs/dbraw/zinc/24/73/82/569247382.db2.gz	JEZUQKBTXBRJAL-UHFFFAOYSA-N	0	1	433.375	3.328	40	0		IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009109246	569293833	/nfs/dbraw/zinc/29/38/33/569293833.db2.gz	OITGREQAXLVEJB-ZQAYVECASA-N	0	1	439.874	3.219	40	0		IGABMN
O=C([O-])c1nn(-c2ccccc2C(F)(F)F)nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000256045893	569300954	/nfs/dbraw/zinc/30/09/54/569300954.db2.gz	BOSSRFPYPZSIBS-UHFFFAOYSA-N	0	1	431.418	3.307	40	0		IGABMN
COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)C(C)(C)C)n(C)n2)cc1OC	ZINC000008635499	291357721	/nfs/dbraw/zinc/35/77/21/291357721.db2.gz	FFSCWMCXOMDFOS-UHOSZYNNSA-N	0	1	440.588	3.444	40	0	biogenic,in-vitro	IGABMN
CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cnc4ccccc4n2)C3)c(OCC)n1	ZINC000012181092	521610484	/nfs/dbraw/zinc/61/04/84/521610484.db2.gz	IPFSKLIIMBCXSN-OXUKXLDXSA-N	0	1	449.555	3.337	40	0		IGABMN
COc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(OC)c1	ZINC000012188586	524024448	/nfs/dbraw/zinc/02/44/48/524024448.db2.gz	OHUFQNGIPQWOFA-UHFFFAOYSA-N	0	1	443.569	3.119	40	0		IGABMN
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1c(C)cc(C)cc1C	ZINC000022523827	525052922	/nfs/dbraw/zinc/05/29/22/525052922.db2.gz	LXWDPOXRIGKYSF-UHFFFAOYSA-N	0	1	426.560	3.108	40	0		IGABMN
O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1	ZINC000041689928	527658068	/nfs/dbraw/zinc/65/80/68/527658068.db2.gz	CCRQVWQNKNZSMT-SYQRAZLKSA-N	0	1	428.617	3.167	40	0		IGABMN
COC(=O)Cc1sc(NC(=O)CSc2nc3c(C)c4ccccc4c-3n[nH]2)nc1C	ZINC000036618887	556527246	/nfs/dbraw/zinc/52/72/46/556527246.db2.gz	XPCIJGCXWKINDB-SNVBAGLBSA-N	0	1	441.538	3.215	40	0		IGABMN
CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1C[C@H]3C[C@@H](C1)Cn1c(=O)cccc13)n2C	ZINC000138159069	556700264	/nfs/dbraw/zinc/70/02/64/556700264.db2.gz	XTCLAJYYAXZBJU-ZWKOTPCHSA-N	0	1	433.556	3.339	40	0		IGABMN
CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2cccc3c2OCO3)CC1	ZINC000257216904	556703142	/nfs/dbraw/zinc/70/31/42/556703142.db2.gz	CWPKJSGNIJRJDX-VWLOTQADSA-N	0	1	440.540	3.290	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)NC1CCCCC1	ZINC000257340919	556707064	/nfs/dbraw/zinc/70/70/64/556707064.db2.gz	ZICNITHNKBYUDI-VDKIKQQVSA-N	0	1	429.605	3.192	40	0		IGABMN
CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000257237890	556710022	/nfs/dbraw/zinc/71/00/22/556710022.db2.gz	HIRVHPXNSBQTAO-VWLOTQADSA-N	0	1	426.557	3.440	40	0		IGABMN
Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019238462	556723378	/nfs/dbraw/zinc/72/33/78/556723378.db2.gz	VXPUBISGZKLJSS-NRFANRHFSA-N	0	1	438.576	3.132	40	0		IGABMN
O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1	ZINC000019333175	556737914	/nfs/dbraw/zinc/73/79/14/556737914.db2.gz	ZCANZVRZDWUAHD-GOSISDBHSA-N	0	1	438.547	3.158	40	0		IGABMN
O=C(c1cccnc1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1	ZINC000019337410	556738771	/nfs/dbraw/zinc/73/87/71/556738771.db2.gz	XNNUROXEYJQCRN-UHFFFAOYSA-N	0	1	446.555	3.150	40	0		IGABMN
O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2	ZINC000019345579	556742642	/nfs/dbraw/zinc/74/26/42/556742642.db2.gz	OBRJYOPZUJSJTN-RTBURBONSA-N	0	1	431.916	3.495	40	0		IGABMN
O=C(CC[C@@H]1CCCO1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1	ZINC000019375329	556751416	/nfs/dbraw/zinc/75/14/16/556751416.db2.gz	FTZJUJYNKJBFBN-NRFANRHFSA-N	0	1	436.556	3.273	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCCC5)CC4)[n-]n3c(=O)c2C1	ZINC000019448131	556757183	/nfs/dbraw/zinc/75/71/83/556757183.db2.gz	UYUSKJQYZIABPA-UHFFFAOYSA-N	0	1	425.577	3.488	40	0		IGABMN
CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[n-]c(=O)c2C1	ZINC000019448175	556757633	/nfs/dbraw/zinc/75/76/33/556757633.db2.gz	PYLWOZKPSNORJD-QFIPXVFZSA-N	0	1	431.540	3.452	40	0		IGABMN
CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[n-]c(=O)c2C1	ZINC000019448175	556757635	/nfs/dbraw/zinc/75/76/35/556757635.db2.gz	PYLWOZKPSNORJD-QFIPXVFZSA-N	0	1	431.540	3.452	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555555	556798576	/nfs/dbraw/zinc/79/85/76/556798576.db2.gz	PWAPWOHWSHSCBY-LJQANCHMSA-N	0	1	436.556	3.255	40	0		IGABMN
CC1(C)[C@H](OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@]2(C)CC[C@H]1C2	ZINC000022914588	556808570	/nfs/dbraw/zinc/80/85/70/556808570.db2.gz	OQBXJQCEXOYVTF-WXAIXHMISA-N	0	1	430.589	3.125	40	0		IGABMN
Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2	ZINC000019583536	556820959	/nfs/dbraw/zinc/82/09/59/556820959.db2.gz	VLSPEKIFYQMPLK-NRFANRHFSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2	ZINC000019583536	556820963	/nfs/dbraw/zinc/82/09/63/556820963.db2.gz	VLSPEKIFYQMPLK-NRFANRHFSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCCN2Cc1ccccn1	ZINC000019706119	556864193	/nfs/dbraw/zinc/86/41/93/556864193.db2.gz	PSUIVOJJYVTUMM-JOCHJYFZSA-N	0	1	434.588	3.282	40	0		IGABMN
COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12	ZINC000019742883	556886824	/nfs/dbraw/zinc/88/68/24/556886824.db2.gz	FTQGWAOUGWSCAL-IBGZPJMESA-N	0	1	448.571	3.380	40	0		IGABMN
Cn1cc(CCC(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCC3)C2)c2ccccc21	ZINC000072344752	556915186	/nfs/dbraw/zinc/91/51/86/556915186.db2.gz	VBEYRGVFXHBTHD-LJQANCHMSA-N	0	1	433.556	3.476	40	0		IGABMN
CCCn1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)n1	ZINC000072344780	556915477	/nfs/dbraw/zinc/91/54/77/556915477.db2.gz	UXIBVGCZGFWZAH-QGZVFWFLSA-N	0	1	426.565	3.441	40	0		IGABMN
CCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)CC1	ZINC000072345025	556916336	/nfs/dbraw/zinc/91/63/36/556916336.db2.gz	CDQFODGBIWCLET-UHFFFAOYSA-N	0	1	431.540	3.463	40	0		IGABMN
Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)ccc1=O	ZINC000072371651	556939921	/nfs/dbraw/zinc/93/99/21/556939921.db2.gz	HCCPSRCDTSCFDW-HNNXBMFYSA-N	0	1	426.904	3.013	40	0		IGABMN
O=C(Cn1cccn1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072371692	556940188	/nfs/dbraw/zinc/94/01/88/556940188.db2.gz	AUFDBJWDTZIEKZ-HNNXBMFYSA-N	0	1	433.434	3.263	40	0		IGABMN
Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)C[C@@H]2CC(C)(C)OC2=O)CC1	ZINC000072390496	556960844	/nfs/dbraw/zinc/96/08/44/556960844.db2.gz	KZSORNXRHUMQEL-MRXNPFEDSA-N	0	1	442.535	3.039	40	0		IGABMN
O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1	ZINC000257207824	556980530	/nfs/dbraw/zinc/98/05/30/556980530.db2.gz	BJLGZTLZMLYDDH-PKTZIBPZSA-N	0	1	448.611	3.383	40	0		IGABMN
O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21	ZINC000585110070	557042621	/nfs/dbraw/zinc/04/26/21/557042621.db2.gz	DYUWSEUNCOJLGU-BJKOFHAPSA-N	0	1	440.547	3.434	40	0		IGABMN
O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O)N1CCCC1	ZINC000106769646	557161775	/nfs/dbraw/zinc/16/17/75/557161775.db2.gz	CMCKMQZAHUSUTK-SDQBBNPISA-N	0	1	445.722	3.467	40	0		IGABMN
Cn1cc(N2CCN(Cc3ccccc3)C3(CCN(Cc4cccc(F)c4)CC3)C2=O)cn1	ZINC000096230351	557184996	/nfs/dbraw/zinc/18/49/96/557184996.db2.gz	YRVMCERNZWCKJW-UHFFFAOYSA-N	0	1	447.558	3.443	40	0		IGABMN
CCCc1ccc(O[C@H]2CN(Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1	ZINC000585267902	557207264	/nfs/dbraw/zinc/20/72/64/557207264.db2.gz	SOSNYZIMXZMZOE-DQEYMECFSA-N	0	1	438.568	3.264	40	0		IGABMN
O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@@H+](C[C@H]5CC=CCC5)C4)[n-]n3c(=O)c2C1	ZINC000100233704	557250935	/nfs/dbraw/zinc/25/09/35/557250935.db2.gz	LXFHKHJZCOTKIG-HKUYNNGSSA-N	0	1	435.572	3.265	40	0		IGABMN
Cc1cnccc1C[N@H+]1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100233923	557251514	/nfs/dbraw/zinc/25/15/14/557251514.db2.gz	WTZVVWDOMCIPNT-JOCHJYFZSA-N	0	1	446.555	3.160	40	0		IGABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)n1	ZINC000111892455	557368823	/nfs/dbraw/zinc/36/88/23/557368823.db2.gz	BABLFGNJOXJDEU-UHFFFAOYSA-N	0	1	426.498	3.220	40	0		IGABMN
CCOC(=O)Cc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O	ZINC000013639844	557384825	/nfs/dbraw/zinc/38/48/25/557384825.db2.gz	RRZNTUBUYVVUAJ-UHFFFAOYSA-N	0	1	446.551	3.096	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC3CCCCC3)s2)cc1	ZINC000223145240	557438864	/nfs/dbraw/zinc/43/88/64/557438864.db2.gz	AHLLYROOCNOSGN-UHFFFAOYSA-N	0	1	440.616	3.443	40	0		IGABMN
CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(C)=O)cc1NC(C)=O	ZINC000223261610	557452303	/nfs/dbraw/zinc/45/23/03/557452303.db2.gz	JZPYYWKFBMNMBS-UHFFFAOYSA-N	0	1	436.486	3.064	40	0		IGABMN
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1	ZINC000223453833	557473885	/nfs/dbraw/zinc/47/38/85/557473885.db2.gz	JCVLKEPATVATNF-KRWDZBQOSA-N	0	1	428.539	3.455	40	0		IGABMN
CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1	ZINC000019499542	557499755	/nfs/dbraw/zinc/49/97/55/557499755.db2.gz	WAZACYLMXZCYEB-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
CCCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019503411	557500405	/nfs/dbraw/zinc/50/04/05/557500405.db2.gz	MWEOZPNXOIVKRF-OAQYLSRUSA-N	0	1	437.592	3.003	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)s2)c1	ZINC000223692139	557502816	/nfs/dbraw/zinc/50/28/16/557502816.db2.gz	PSHQLPIMABRBNX-QGZVFWFLSA-N	0	1	428.539	3.455	40	0		IGABMN
Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000224088723	557559135	/nfs/dbraw/zinc/55/91/35/557559135.db2.gz	ZWHPYHLLDGBIFH-UHFFFAOYSA-N	0	1	448.595	3.478	40	0		IGABMN
CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C(=O)OC)ccc3Cl)ccc21	ZINC000225122534	557689713	/nfs/dbraw/zinc/68/97/13/557689713.db2.gz	YFKLNPSAVKOBPD-UHFFFAOYSA-N	0	1	426.903	3.324	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(C)c(C)c3)s2)cc1	ZINC000225180525	557697004	/nfs/dbraw/zinc/69/70/04/557697004.db2.gz	MHXXBNHRGWBMRV-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
CCCn1c2ccc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2sc1=O	ZINC000225734353	557770436	/nfs/dbraw/zinc/77/04/36/557770436.db2.gz	WBLICSRYULLOKS-UHFFFAOYSA-N	0	1	446.598	3.026	40	0		IGABMN
O=C1C[C@@H](Sc2nc(-c3ccncc3)n[nH]2)C(=O)N1c1ccc(Br)cc1	ZINC000256055651	568663687	/nfs/dbraw/zinc/66/36/87/568663687.db2.gz	OOQOIVVYSUOROL-CYBMUJFWSA-N	0	1	430.287	3.053	40	0		IGABMN
O=C(COc1ccccc1F)N1CCC(c2[nH]ncc2C(=O)N2CCCCCC2)CC1	ZINC000257211055	568670181	/nfs/dbraw/zinc/67/01/81/568670181.db2.gz	BXIMDCIJJIKMFK-UHFFFAOYSA-N	0	1	428.508	3.350	40	0		IGABMN
CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)n2)s1	ZINC000257214222	568671696	/nfs/dbraw/zinc/67/16/96/568671696.db2.gz	CLCWREXLBLQHOD-GOSISDBHSA-N	0	1	444.605	3.261	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000257251899	568689523	/nfs/dbraw/zinc/68/95/23/568689523.db2.gz	JSTVSAPXVDORIR-FQEVSTJZSA-N	0	1	441.919	3.110	40	0		IGABMN
Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)n1	ZINC000257308095	568714489	/nfs/dbraw/zinc/71/44/89/568714489.db2.gz	TVJCONRRLLMFRT-QGZVFWFLSA-N	0	1	438.557	3.170	40	0		IGABMN
CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)on1	ZINC000257312089	568716299	/nfs/dbraw/zinc/71/62/99/568716299.db2.gz	UMMCTVUWIMWZAT-QHCPKHFHSA-N	0	1	441.507	3.130	40	0		IGABMN
Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(Cc4[nH]nc5ccccc54)C3)O2)cc1	ZINC000306127960	568764870	/nfs/dbraw/zinc/76/48/70/568764870.db2.gz	GMAMXOOJQXISQA-NLFFAJNJSA-N	0	1	434.540	3.051	40	0		IGABMN
CCCN(CC1CC1)C(=O)[C@@H]1CCc2nnc(C3CCN(Cc4cccnc4)CC3)n2C1	ZINC000306132975	568767647	/nfs/dbraw/zinc/76/76/47/568767647.db2.gz	LXWPEXAEICDCIJ-JOCHJYFZSA-N	0	1	436.604	3.264	40	0		IGABMN
COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccnc3)CC2)C1	ZINC000306133038	568767728	/nfs/dbraw/zinc/76/77/28/568767728.db2.gz	LZUKZNNZYYPTPS-UHFFFAOYSA-N	0	1	436.491	3.053	40	0		IGABMN
CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21	ZINC000306144050	568773620	/nfs/dbraw/zinc/77/36/20/568773620.db2.gz	YUKYIOTXOXWBNS-QHCPKHFHSA-N	0	1	446.599	3.179	40	0		IGABMN
CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)[n-]n3c(=O)c2C1	ZINC000253592335	569208983	/nfs/dbraw/zinc/20/89/83/569208983.db2.gz	VBSFJYDJMRYICQ-QAPCUYQASA-N	0	1	425.577	3.344	40	0		IGABMN
CC(C)c1ncc(CN2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1	ZINC000019702585	569232187	/nfs/dbraw/zinc/23/21/87/569232187.db2.gz	FXTKRZMZAOQDNH-QGZVFWFLSA-N	0	1	439.585	3.264	40	0		IGABMN
COc1ccc(CCC(=O)N2CCC(Cc3c(CN(C)C)cnc4ccnn43)CC2)cc1	ZINC000019704741	569233646	/nfs/dbraw/zinc/23/36/46/569233646.db2.gz	HQHKRTUELABEHW-UHFFFAOYSA-N	0	1	435.572	3.213	40	0		IGABMN
CCc1nnc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)s1	ZINC000038176786	569248782	/nfs/dbraw/zinc/24/87/82/569248782.db2.gz	PJOVZCSAZVZQBB-UHFFFAOYSA-N	0	1	441.336	3.085	40	0		IGABMN
COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c(OC)c1	ZINC000012328243	524024219	/nfs/dbraw/zinc/02/42/19/524024219.db2.gz	PXBTYSANGQXHRD-UHFFFAOYSA-N	0	1	441.553	3.016	40	0		IGABMN
COc1ccccc1N1CCN(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1	ZINC000041689873	524556338	/nfs/dbraw/zinc/55/63/38/524556338.db2.gz	OTOWMTLJJGEOJP-JHLQHZFVSA-N	0	1	444.616	3.180	40	0		IGABMN
COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCN(C(C)C)CC1	ZINC000012187103	524723778	/nfs/dbraw/zinc/72/37/78/524723778.db2.gz	UKWZPXMRCGIEPN-QGZVFWFLSA-N	0	1	434.540	3.163	40	0		IGABMN
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1	ZINC000020453519	525053578	/nfs/dbraw/zinc/05/35/78/525053578.db2.gz	SWJHEJAKKAGPSS-UHFFFAOYSA-N	0	1	434.539	3.336	40	0		IGABMN
Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1	ZINC000001912841	555724435	/nfs/dbraw/zinc/72/44/35/555724435.db2.gz	DKZZABIZKREMCS-UHFFFAOYSA-N	0	1	426.498	3.220	40	0		IGABMN
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1	ZINC000408604285	555974092	/nfs/dbraw/zinc/97/40/92/555974092.db2.gz	LTATZWSQURIMLO-ZDUSSCGKSA-N	0	1	426.922	3.441	40	0		IGABMN
COc1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c(OC)cc1Cl	ZINC000013679395	556556153	/nfs/dbraw/zinc/55/61/53/556556153.db2.gz	CBEWHVMGYKXTCF-UHFFFAOYSA-N	0	1	442.921	3.305	40	0		IGABMN
CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1	ZINC000019086151	556699655	/nfs/dbraw/zinc/69/96/55/556699655.db2.gz	RVNGJTCQNWXKQS-TZIWHRDSSA-N	0	1	443.617	3.100	40	0		IGABMN
O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257307645	556718007	/nfs/dbraw/zinc/71/80/07/556718007.db2.gz	SZQMMPCUAAFQQQ-QFIPXVFZSA-N	0	1	449.530	3.344	40	0		IGABMN
O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257307645	556718011	/nfs/dbraw/zinc/71/80/11/556718011.db2.gz	SZQMMPCUAAFQQQ-QFIPXVFZSA-N	0	1	449.530	3.344	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3C)[n-]c(=O)c2C1	ZINC000019238693	556724012	/nfs/dbraw/zinc/72/40/12/556724012.db2.gz	NNGQQHWTLLTSQJ-HXUWFJFHSA-N	0	1	449.580	3.379	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3C)[n-]c(=O)c2C1	ZINC000019238693	556724013	/nfs/dbraw/zinc/72/40/13/556724013.db2.gz	NNGQQHWTLLTSQJ-HXUWFJFHSA-N	0	1	449.580	3.379	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CC3CCCCC3)[n-]c(=O)c2C1	ZINC000019239486	556725037	/nfs/dbraw/zinc/72/50/37/556725037.db2.gz	SEGNFWYNDGBOGC-QFIPXVFZSA-N	0	1	435.572	3.389	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CC3CCCCC3)[n-]c(=O)c2C1	ZINC000019239486	556725038	/nfs/dbraw/zinc/72/50/38/556725038.db2.gz	SEGNFWYNDGBOGC-QFIPXVFZSA-N	0	1	435.572	3.389	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCC(C)CC3)[n-]c(=O)c2C1	ZINC000019239481	556725045	/nfs/dbraw/zinc/72/50/45/556725045.db2.gz	JWKSJSCJWBHAFU-CWZMJNCASA-N	0	1	435.572	3.387	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCC(C)CC3)[n-]c(=O)c2C1	ZINC000019239481	556725047	/nfs/dbraw/zinc/72/50/47/556725047.db2.gz	JWKSJSCJWBHAFU-CWZMJNCASA-N	0	1	435.572	3.387	40	0		IGABMN
O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2	ZINC000019345585	556742646	/nfs/dbraw/zinc/74/26/46/556742646.db2.gz	QSPNGYMPRPVUAK-UXHICEINSA-N	0	1	429.488	3.371	40	0		IGABMN
CCOc1ncc(C2(O)CCN(Cc3cc4c(cc3OC)CCC4)CC2)c(OCC)n1	ZINC000019531717	556792316	/nfs/dbraw/zinc/79/23/16/556792316.db2.gz	ZQWUSOODFANGSB-UHFFFAOYSA-N	0	1	427.545	3.255	40	0		IGABMN
COc1ccc2c(c1)NC1(CCN(CCN3C(=O)c4ccccc4C3=O)CC1)c1cccn1-2	ZINC000019562014	556803399	/nfs/dbraw/zinc/80/33/99/556803399.db2.gz	MWPYLMUNVKEZGB-UHFFFAOYSA-N	0	1	442.519	3.499	40	0		IGABMN
COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2	ZINC000019562220	556803860	/nfs/dbraw/zinc/80/38/60/556803860.db2.gz	KWOFTCDBFNKTBP-SFTDATJTSA-N	0	1	441.524	3.241	40	0		IGABMN
CN(C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1	ZINC000019585846	556822934	/nfs/dbraw/zinc/82/29/34/556822934.db2.gz	VGIGUWLKODNWRZ-UHFFFAOYSA-N	0	1	430.574	3.383	40	0		IGABMN
Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)nc2c1CCCN2Cc1cccc(F)c1	ZINC000019706850	556865475	/nfs/dbraw/zinc/86/54/75/556865475.db2.gz	ASMQEPJCASQMEB-OAQYLSRUSA-N	0	1	425.552	3.492	40	0		IGABMN
CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCCc3ccc(F)cc3)c2C1	ZINC000019711302	556875480	/nfs/dbraw/zinc/87/54/80/556875480.db2.gz	XUHXVUROCHWORY-LJQANCHMSA-N	0	1	425.552	3.374	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(Cc4cccnc4)C3)nc2C)c1	ZINC000019766267	556911329	/nfs/dbraw/zinc/91/13/29/556911329.db2.gz	YTFVMYXVRHKVQE-OAQYLSRUSA-N	0	1	431.540	3.498	40	0		IGABMN
CC(=O)N1CCC(C(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)CC1	ZINC000072371571	556939430	/nfs/dbraw/zinc/93/94/30/556939430.db2.gz	XUVFRPRQOXMUGG-SFHVURJKSA-N	0	1	444.963	3.259	40	0		IGABMN
Cc1nc(C)n(CC(=O)N2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)n1	ZINC000072371625	556939797	/nfs/dbraw/zinc/93/97/97/556939797.db2.gz	OTUSNLJQGGOCGW-FQEVSTJZSA-N	0	1	436.560	3.379	40	0		IGABMN
C[C@@H](CN(C)C(=O)CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1	ZINC000072373065	556945472	/nfs/dbraw/zinc/94/54/72/556945472.db2.gz	AXWIDKGJOYRIDG-UNMCSNQZSA-N	0	1	436.600	3.411	40	0		IGABMN
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000019934059	556950156	/nfs/dbraw/zinc/95/01/56/556950156.db2.gz	ZJELKTSIYYFVOX-IBGZPJMESA-N	0	1	442.497	3.082	40	0		IGABMN
CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)CC1	ZINC000072378348	556956894	/nfs/dbraw/zinc/95/68/94/556956894.db2.gz	WKCGTZIQVVBVMX-QFIPXVFZSA-N	0	1	428.508	3.092	40	0		IGABMN
Cn1ccnc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000072380230	556958222	/nfs/dbraw/zinc/95/82/22/556958222.db2.gz	KAANGSKLSIWUKG-AWEZNQCLSA-N	0	1	433.434	3.413	40	0		IGABMN
CCCC(=O)N1CCc2nc(C3CCN(Cc4cc(F)ccc4F)CC3)[nH]c(=O)c2C1	ZINC000072398989	556971245	/nfs/dbraw/zinc/97/12/45/556971245.db2.gz	YRYRZJVJJLIDQO-UHFFFAOYSA-N	0	1	430.499	3.113	40	0		IGABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)n1	ZINC000020049908	556974529	/nfs/dbraw/zinc/97/45/29/556974529.db2.gz	PYQUCBJAAQOTFO-HNNXBMFYSA-N	0	1	444.488	3.439	40	0		IGABMN
O=C(OC1C(=O)N(c2ccccc2F)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409303056	557055898	/nfs/dbraw/zinc/05/58/98/557055898.db2.gz	GNYHGMHQQIOVJT-PMACEKPBSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(O[C@@H]1C(=O)N(c2ccccc2F)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409303056	557055903	/nfs/dbraw/zinc/05/59/03/557055903.db2.gz	GNYHGMHQQIOVJT-PMACEKPBSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(OC1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409306167	557058744	/nfs/dbraw/zinc/05/87/44/557058744.db2.gz	OLJMORHAIRUQJF-WOJBJXKFSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(O[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409306167	557058752	/nfs/dbraw/zinc/05/87/52/557058752.db2.gz	OLJMORHAIRUQJF-WOJBJXKFSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1	ZINC000604381830	557236375	/nfs/dbraw/zinc/23/63/75/557236375.db2.gz	QQGCLZUTDKWGOU-LJQANCHMSA-N	0	1	439.934	3.129	40	0	biogenic,in-vitro	IGABMN
CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3	ZINC000100233778	557250993	/nfs/dbraw/zinc/25/09/93/557250993.db2.gz	CDQIOMHMTQNONM-OAQYLSRUSA-N	0	1	434.544	3.098	40	0		IGABMN
CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3	ZINC000100233778	557250996	/nfs/dbraw/zinc/25/09/96/557250996.db2.gz	CDQIOMHMTQNONM-OAQYLSRUSA-N	0	1	434.544	3.098	40	0		IGABMN
CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCC[N@H+]4Cc4ccsc4)[n-]n3c2=O)C1	ZINC000100234389	557252807	/nfs/dbraw/zinc/25/28/07/557252807.db2.gz	FTMSUSBAYPMCDM-LJQANCHMSA-N	0	1	425.558	3.374	40	0		IGABMN
CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4sccc4C)[n-]n3c(=O)c2C1	ZINC000100243128	557255234	/nfs/dbraw/zinc/25/52/34/557255234.db2.gz	FITUTPUIXIYXAD-IBGZPJMESA-N	0	1	425.558	3.437	40	0		IGABMN
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCCc1ccccc1	ZINC000013561726	557352366	/nfs/dbraw/zinc/35/23/66/557352366.db2.gz	GWNWHPCXBCSNGC-UHFFFAOYSA-N	0	1	431.462	3.446	40	0		IGABMN
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000223014294	557415551	/nfs/dbraw/zinc/41/55/51/557415551.db2.gz	GWYBHJLMIOSMNM-UHFFFAOYSA-N	0	1	426.560	3.178	40	0		IGABMN
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1	ZINC000223663569	557499198	/nfs/dbraw/zinc/49/91/98/557499198.db2.gz	XNLFJLWYHLBFJK-UHFFFAOYSA-N	0	1	433.482	3.164	40	0		IGABMN
CCOc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000223667861	557499711	/nfs/dbraw/zinc/49/97/11/557499711.db2.gz	LLOMDABZKCMEJA-UHFFFAOYSA-N	0	1	446.554	3.100	40	0		IGABMN
Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000225694694	557765095	/nfs/dbraw/zinc/76/50/95/557765095.db2.gz	TWWTYFUHDXQNNJ-UHFFFAOYSA-N	0	1	434.568	3.169	40	0		IGABMN
CCCn1c2ccc(S(=O)(=O)Nc3cc(C(=O)OC)ccc3OC)cc2sc1=O	ZINC000225734498	557770503	/nfs/dbraw/zinc/77/05/03/557770503.db2.gz	VVLNERXJPBKYEX-UHFFFAOYSA-N	0	1	436.511	3.069	40	0		IGABMN
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1	ZINC000225904908	557789924	/nfs/dbraw/zinc/78/99/24/557789924.db2.gz	YIUSQWMNGBQVMW-KRWDZBQOSA-N	0	1	435.977	3.407	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCCCCC3)C2)cc1	ZINC000257218107	568673460	/nfs/dbraw/zinc/67/34/60/568673460.db2.gz	DBXOJQGGICLXMJ-KRWDZBQOSA-N	0	1	446.573	3.003	40	0		IGABMN
Cc1nc([C@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCOCC1	ZINC000257259149	568692748	/nfs/dbraw/zinc/69/27/48/568692748.db2.gz	KXBWPBTYGSOGHB-FQEVSTJZSA-N	0	1	426.536	3.013	40	0		IGABMN
c1cn2nc(C[C@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)ccc2n1	ZINC000257287556	568705634	/nfs/dbraw/zinc/70/56/34/568705634.db2.gz	PQLOQPMBBUMVOP-OAQYLSRUSA-N	0	1	429.524	3.394	40	0		IGABMN
COc1cccc(N2CCC([N@@H+](CCc3ccc(OC)c(OC)c3)CC(=O)[O-])CC2)c1	ZINC000257308511	568714902	/nfs/dbraw/zinc/71/49/02/568714902.db2.gz	TWYXIUBHVJAZFS-UHFFFAOYSA-N	0	1	428.529	3.311	40	0		IGABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2ccc(Br)cc21	ZINC000016024978	568863890	/nfs/dbraw/zinc/86/38/90/568863890.db2.gz	FKANVUAATCYCSN-LXGFNCFKSA-N	0	1	448.361	3.014	40	0		IGABMN
CCCc1ncc(CN2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1	ZINC000247938921	569206472	/nfs/dbraw/zinc/20/64/72/569206472.db2.gz	MGBAIOHIBLFTJH-HYBUGGRVSA-N	0	1	438.572	3.459	40	0		IGABMN
O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1	ZINC000019343607	569226455	/nfs/dbraw/zinc/22/64/55/569226455.db2.gz	DQOYQWZNYMWPOF-MSOLQXFVSA-N	0	1	438.597	3.452	40	0		IGABMN
C[C@H](CN(C)C(=O)CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1	ZINC000019455888	569226571	/nfs/dbraw/zinc/22/65/71/569226571.db2.gz	AXWIDKGJOYRIDG-IFMALSPDSA-N	0	1	436.600	3.411	40	0		IGABMN
Cc1nc(C)c(C(=O)N2CC[C@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)s1	ZINC000019705053	569233754	/nfs/dbraw/zinc/23/37/54/569233754.db2.gz	JFONTOPDNZXODZ-AWEZNQCLSA-N	0	1	426.546	3.252	40	0		IGABMN
O=C(C1CCN(Cc2ccccn2)CC1)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1	ZINC000019713109	569235489	/nfs/dbraw/zinc/23/54/89/569235489.db2.gz	LDTODBOOBLPJEC-JWQCQUIFSA-N	0	1	446.595	3.476	40	0		IGABMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2Cl)c1	ZINC000408576989	555927681	/nfs/dbraw/zinc/92/76/81/555927681.db2.gz	ZHTRSKJXHAWYBC-UHFFFAOYSA-N	0	1	446.960	3.005	40	0		IGABMN
COC(=O)[C@@](NC(=O)c1ccc(Br)cc1)(Nc1nccs1)C(F)(F)F	ZINC000015304020	556517198	/nfs/dbraw/zinc/51/71/98/556517198.db2.gz	WORFVATUHSJVKL-CYBMUJFWSA-N	0	1	438.225	3.179	40	0		IGABMN
O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000016024825	556576252	/nfs/dbraw/zinc/57/62/52/556576252.db2.gz	MVPZVPPGSHFEQI-UHFFFAOYSA-N	0	1	434.477	3.448	40	0		IGABMN
O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019014636	556691735	/nfs/dbraw/zinc/69/17/35/556691735.db2.gz	BDBTVIJBCFUENB-RXVVDRJESA-N	0	1	428.577	3.496	40	0		IGABMN
O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019014638	556691928	/nfs/dbraw/zinc/69/19/28/556691928.db2.gz	BDBTVIJBCFUENB-GHTZIAJQSA-N	0	1	428.577	3.496	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019238697	556724188	/nfs/dbraw/zinc/72/41/88/556724188.db2.gz	VZMGTTSOTNBHLZ-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019238697	556724191	/nfs/dbraw/zinc/72/41/91/556724191.db2.gz	VZMGTTSOTNBHLZ-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2)n1cccn1	ZINC000019455301	556765454	/nfs/dbraw/zinc/76/54/54/556765454.db2.gz	JMGLWOXSCHZQKF-LAUBAEHRSA-N	0	1	438.576	3.384	40	0		IGABMN
C[C@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2)n1cccn1	ZINC000019455307	556765552	/nfs/dbraw/zinc/76/55/52/556765552.db2.gz	JMGLWOXSCHZQKF-UTKZUKDTSA-N	0	1	438.576	3.384	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000019555565	556798700	/nfs/dbraw/zinc/79/87/00/556798700.db2.gz	IKQQUMCOJXYOEM-ICSRJNTNSA-N	0	1	448.567	3.421	40	0		IGABMN
CC1(C)[C@H](OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@]2(C)CC[C@H]1C2	ZINC000253479099	556808864	/nfs/dbraw/zinc/80/88/64/556808864.db2.gz	OQBXJQCEXOYVTF-OKHDYOJBSA-N	0	1	430.589	3.125	40	0		IGABMN
CCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn32)CC1	ZINC000004355686	556822107	/nfs/dbraw/zinc/82/21/07/556822107.db2.gz	TXUHNNGNOBWNHG-UHFFFAOYSA-N	0	1	439.560	3.189	40	0		IGABMN
Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1	ZINC000019696087	556852968	/nfs/dbraw/zinc/85/29/68/556852968.db2.gz	WUOKTRVFKSDPAI-SFHVURJKSA-N	0	1	436.560	3.387	40	0		IGABMN
Nc1[nH]nc2nc([C@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)cc(C(F)(F)F)c12	ZINC000019742180	556885951	/nfs/dbraw/zinc/88/59/51/556885951.db2.gz	OHTKLZRKAZELLK-LBPRGKRZSA-N	0	1	425.455	3.350	40	0		IGABMN
COc1cccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F	ZINC000072330582	556906772	/nfs/dbraw/zinc/90/67/72/556906772.db2.gz	ROFWNZLTZRLYSD-HARLFGEKSA-N	0	1	427.520	3.478	40	0		IGABMN
Cc1oc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccncc3)C2)cc1CN1CCOCC1	ZINC000072334789	556907542	/nfs/dbraw/zinc/90/75/42/556907542.db2.gz	YXTRKHUUCNOUQJ-LJQANCHMSA-N	0	1	435.528	3.225	40	0		IGABMN
Cn1cc(CCC(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCCC3)C2)c2ccccc21	ZINC000072344751	556915176	/nfs/dbraw/zinc/91/51/76/556915176.db2.gz	VBEYRGVFXHBTHD-IBGZPJMESA-N	0	1	433.556	3.476	40	0		IGABMN
Nc1ncnc2nc([C@@H]3CCCN(C(=O)[C@@H](N)c4ccccc4)C3)cc(C(F)(F)F)c12	ZINC000072354390	556929931	/nfs/dbraw/zinc/92/99/31/556929931.db2.gz	DWNDYARYBDXDPS-DYVFJYSZSA-N	0	1	430.434	3.032	40	0		IGABMN
Cc1ccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2I)cc1	ZINC000409060299	556937315	/nfs/dbraw/zinc/93/73/15/556937315.db2.gz	ZHQBZGYRHCZYSZ-OQLLNIDSSA-N	0	1	434.233	3.359	40	0		IGABMN
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000072371778	556940820	/nfs/dbraw/zinc/94/08/20/556940820.db2.gz	DUKQWPUDTBNISZ-OAHLLOKOSA-N	0	1	449.964	3.203	40	0		IGABMN
Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21	ZINC000585110210	557043361	/nfs/dbraw/zinc/04/33/61/557043361.db2.gz	XPRDSBVEBBUICZ-LEWJYISDSA-N	0	1	445.523	3.110	40	0		IGABMN
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217542513	557170899	/nfs/dbraw/zinc/17/08/99/557170899.db2.gz	JYPBLKIHIMJNOK-VBURHUQHSA-N	0	1	448.523	3.169	40	0		IGABMN
COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)n4[n-]c(C)cc4nc2C3)ccc1OC(F)F	ZINC000100219537	557248742	/nfs/dbraw/zinc/24/87/42/557248742.db2.gz	FIOMNLBIMCESKV-LSDHHAIUSA-N	0	1	430.455	3.485	40	0		IGABMN
Cc1cnccc1C[N@@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3	ZINC000100233857	557251546	/nfs/dbraw/zinc/25/15/46/557251546.db2.gz	RSPKSZFFNRGWBX-QFIPXVFZSA-N	0	1	448.571	3.406	40	0		IGABMN
CC(C)[N@H+]1CCc2c(=O)n3[n-]c([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)cc3nc2C1	ZINC000100234280	557252318	/nfs/dbraw/zinc/25/23/18/557252318.db2.gz	NDXDGSVLORWNHB-OAQYLSRUSA-N	0	1	437.519	3.247	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCOC3CCCCC3)s2)c1	ZINC000222596791	557358571	/nfs/dbraw/zinc/35/85/71/557358571.db2.gz	RWDXGXLAMXGNRN-UHFFFAOYSA-N	0	1	438.575	3.117	40	0		IGABMN
Cc1ccc(CSCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1	ZINC000222986144	557412245	/nfs/dbraw/zinc/41/22/45/557412245.db2.gz	PGGOKHUWBHJOJK-UHFFFAOYSA-N	0	1	428.605	3.043	40	0		IGABMN
O=S(=O)(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1	ZINC000222986661	557412345	/nfs/dbraw/zinc/41/23/45/557412345.db2.gz	UMUJAARUKNASMC-UHFFFAOYSA-N	0	1	439.360	3.305	40	0		IGABMN
CN1C(=O)S/C(=C\c2cc(Br)c(O)c(I)c2)C1=O	ZINC000408819732	557439718	/nfs/dbraw/zinc/43/97/18/557439718.db2.gz	RNPOZSROGLYKCM-YWEYNIOJSA-N	0	1	440.056	3.425	40	0		IGABMN
COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000223677447	557500811	/nfs/dbraw/zinc/50/08/11/557500811.db2.gz	ROHBXVSCEIOROZ-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C	ZINC000223707845	557504612	/nfs/dbraw/zinc/50/46/12/557504612.db2.gz	OMMKSUVSYAKBMJ-HNNXBMFYSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1	ZINC000224765838	557649377	/nfs/dbraw/zinc/64/93/77/557649377.db2.gz	DUURNVKXZGWCGP-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(C)cc3C)s2)c1	ZINC000225171201	557695884	/nfs/dbraw/zinc/69/58/84/557695884.db2.gz	WBQGZOOJMWMXOL-UHFFFAOYSA-N	0	1	446.554	3.073	40	0		IGABMN
Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000225360452	557713906	/nfs/dbraw/zinc/71/39/06/557713906.db2.gz	ZXBJMLNIYDEMCP-OAHLLOKOSA-N	0	1	446.554	3.153	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC3CCCC3)s2)cc1	ZINC000225478518	557727632	/nfs/dbraw/zinc/72/76/32/557727632.db2.gz	XNSGVHWEXDGGHE-UHFFFAOYSA-N	0	1	426.589	3.053	40	0		IGABMN
COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1cccn1	ZINC000585271172	568617791	/nfs/dbraw/zinc/61/77/91/568617791.db2.gz	KWCBWJPEDRJOGR-RUZDIDTESA-N	0	1	437.540	3.377	40	0		IGABMN
O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cccc(F)c1	ZINC000257211330	568670329	/nfs/dbraw/zinc/67/03/29/568670329.db2.gz	BYMPGKAAECCPBI-VDKIKQQVSA-N	0	1	426.532	3.129	40	0		IGABMN
C[C@@H]1CN(CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@@H](C)O1	ZINC000257225015	568676449	/nfs/dbraw/zinc/67/64/49/568676449.db2.gz	FELWNLZRERFHBI-RTBURBONSA-N	0	1	433.556	3.265	40	0		IGABMN
CC(C)(C)c1ccc(OCC(N)=O)c(CN2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c1	ZINC000257228652	568678326	/nfs/dbraw/zinc/67/83/26/568678326.db2.gz	FUSPGGAHYUUGIR-REWPJTCUSA-N	0	1	444.547	3.392	40	0		IGABMN
COc1ccc(C)cc1CN1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1	ZINC000257234657	568681318	/nfs/dbraw/zinc/68/13/18/568681318.db2.gz	GUNTVXBXXNSIJW-LJQANCHMSA-N	0	1	448.589	3.253	40	0		IGABMN
COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2Cc2ccnc(N3CCCC3)n2)cc1	ZINC000257235718	568681988	/nfs/dbraw/zinc/68/19/88/568681988.db2.gz	GZBRJHKBFUOLPA-HWBMXIPRSA-N	0	1	435.572	3.460	40	0		IGABMN
CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1	ZINC000257239597	568683430	/nfs/dbraw/zinc/68/34/30/568683430.db2.gz	HQBHRRPKPZKWGI-INIZCTEOSA-N	0	1	433.549	3.245	40	0		IGABMN
COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCN4C(C)=O)n[nH]2)c1	ZINC000257269265	568697091	/nfs/dbraw/zinc/69/70/91/568697091.db2.gz	MPGLPRBIPJPOMV-GMAHTHKFSA-N	0	1	426.517	3.100	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC000257274345	568699432	/nfs/dbraw/zinc/69/94/32/568699432.db2.gz	NKPZJVLWIYSSJO-OAQYLSRUSA-N	0	1	444.919	3.432	40	0		IGABMN
Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1	ZINC000257275626	568700196	/nfs/dbraw/zinc/70/01/96/568700196.db2.gz	NQEAYWXMHLEJOX-SANMLTNESA-N	0	1	432.568	3.438	40	0		IGABMN
Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	ZINC000257282795	568703329	/nfs/dbraw/zinc/70/33/29/568703329.db2.gz	OVIMFSLIGMBNTC-OAQYLSRUSA-N	0	1	444.919	3.432	40	0		IGABMN
C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)Nc3ccc4c(c3)OCCO4)[C@H]1CCCC(=O)N2	ZINC000257312368	568716489	/nfs/dbraw/zinc/71/64/89/568716489.db2.gz	UNOZJEHRUYTKNU-SEIBCYHCSA-N	0	1	449.551	3.141	40	0		IGABMN
COc1ccc(CN2C[C@@]3(CCN(C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1	ZINC000306135822	568769117	/nfs/dbraw/zinc/76/91/17/568769117.db2.gz	PCBLVFHLYHELBI-QHCPKHFHSA-N	0	1	428.554	3.276	40	0		IGABMN
CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1	ZINC000087723449	568848189	/nfs/dbraw/zinc/84/81/89/568848189.db2.gz	DWIDDRGKKQSZCG-UHFFFAOYSA-N	0	1	429.528	3.330	40	0		IGABMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507478	568897084	/nfs/dbraw/zinc/89/70/84/568897084.db2.gz	CAJNLWNSIOWMER-JKPKGCNWSA-N	0	1	449.938	3.494	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000247918219	569206587	/nfs/dbraw/zinc/20/65/87/569206587.db2.gz	WUTHUAUABDRREL-WOJBJXKFSA-N	0	1	448.567	3.421	40	0		IGABMN
CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5[C@@H]6CCCC[C@@H]65)CC4)[n-]n3c(=O)c2C1	ZINC000248141526	569207347	/nfs/dbraw/zinc/20/73/47/569207347.db2.gz	CDFRLPGUCGBTKT-CYGODWOOSA-N	0	1	437.588	3.344	40	0		IGABMN
O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2	ZINC000019014640	569226080	/nfs/dbraw/zinc/22/60/80/569226080.db2.gz	BDBTVIJBCFUENB-NQIIRXRSSA-N	0	1	428.577	3.496	40	0		IGABMN
COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1	ZINC000408706094	556112555	/nfs/dbraw/zinc/11/25/55/556112555.db2.gz	VETYNRVTKXXCLM-UHFFFAOYSA-N	0	1	448.541	3.385	40	0		IGABMN
COc1ccc(C)cc1S(=O)(=O)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1	ZINC000408713177	556125593	/nfs/dbraw/zinc/12/55/93/556125593.db2.gz	NBOUUDZRIBPETQ-UHFFFAOYSA-N	0	1	446.550	3.492	40	0		IGABMN
O=C1c2cccc3cccc(c32)C(=O)N1CCCCCN1CCN(c2ncccn2)CC1	ZINC000028048309	556443025	/nfs/dbraw/zinc/44/30/25/556443025.db2.gz	GKDOHESLYFKKFD-UHFFFAOYSA-N	0	1	429.524	3.218	40	0		IGABMN
COc1ccccc1-c1n[nH]c(SCC(=O)Nc2nc(C)c3c(n2)C[C@@H](C)CC3=O)n1	ZINC000013636264	556541300	/nfs/dbraw/zinc/54/13/00/556541300.db2.gz	OHTBQLGNIJOHTO-LLVKDONJSA-N	0	1	438.513	3.075	40	0		IGABMN
CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1	ZINC000019080890	556695890	/nfs/dbraw/zinc/69/58/90/556695890.db2.gz	AYBVPBZNSLPVGQ-HNNXBMFYSA-N	0	1	445.516	3.244	40	0		IGABMN
Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)on1	ZINC000019124121	556702578	/nfs/dbraw/zinc/70/25/78/556702578.db2.gz	HNLLVVNCPKSPCI-LJQANCHMSA-N	0	1	436.560	3.439	40	0		IGABMN
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000096402883	556760399	/nfs/dbraw/zinc/76/03/99/556760399.db2.gz	QJSXYMDBXXURBE-BILGYAHESA-N	0	1	429.520	3.149	40	0		IGABMN
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccccc3)n2)cc1	ZINC000001372695	556785047	/nfs/dbraw/zinc/78/50/47/556785047.db2.gz	PCCGIJCOCRYUHW-UHFFFAOYSA-N	0	1	449.492	3.032	40	0		IGABMN
COc1ccccc1CNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1	ZINC000001380630	556796935	/nfs/dbraw/zinc/79/69/35/556796935.db2.gz	BHGMFTLGUGYZHJ-UHFFFAOYSA-N	0	1	447.461	3.412	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)cnn1C	ZINC000019553342	556797178	/nfs/dbraw/zinc/79/71/78/556797178.db2.gz	CFLVDXMIPGADPX-OAQYLSRUSA-N	0	1	438.576	3.282	40	0		IGABMN
COc1cccc(CN2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1	ZINC000019565180	556805881	/nfs/dbraw/zinc/80/58/81/556805881.db2.gz	MWTBWQHPYRDJKI-HSZRJFAPSA-N	0	1	448.571	3.278	40	0		IGABMN
Cc1nc([C@H]2CCCN2C(=O)c2ccn[nH]2)nc2c1CCC(=O)N2CCCc1ccccc1	ZINC000019695975	556852936	/nfs/dbraw/zinc/85/29/36/556852936.db2.gz	CPYQTPYWVAJIIL-OAQYLSRUSA-N	0	1	444.539	3.397	40	0		IGABMN
Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)c2[nH]nc3c2CCCCC3)n1	ZINC000019697258	556854354	/nfs/dbraw/zinc/85/43/54/556854354.db2.gz	WOARVBYHRZQQMN-UHFFFAOYSA-N	0	1	436.491	3.141	40	0		IGABMN
Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(C(=O)c5ccn[nH]5)CC4)nc32)cc1	ZINC000019703470	556861852	/nfs/dbraw/zinc/86/18/52/556861852.db2.gz	CUXSLFSHUKVGMW-UHFFFAOYSA-N	0	1	444.539	3.316	40	0		IGABMN
O=C(COc1ccc(F)cc1)N1CCC(c2ccc3c(n[nH]c3NCc3ncc[nH]3)n2)CC1	ZINC000019745076	556891737	/nfs/dbraw/zinc/89/17/37/556891737.db2.gz	AZZYDBHZVWETDL-UHFFFAOYSA-N	0	1	449.490	3.217	40	0		IGABMN
Cc1cnc2c(C(=O)N3CC[C@H](c4cc(CCOc5ccccc5F)[nH]n4)C3)cnn2c1	ZINC000072371671	556940163	/nfs/dbraw/zinc/94/01/63/556940163.db2.gz	SFQSWOUJFMRTJT-INIZCTEOSA-N	0	1	434.475	3.151	40	0		IGABMN
O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](Cc2ccccc2)C1	ZINC000072373102	556945298	/nfs/dbraw/zinc/94/52/98/556945298.db2.gz	WBWDNJZROYXUKM-PKTZIBPZSA-N	0	1	448.611	3.240	40	0		IGABMN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000019934058	556950095	/nfs/dbraw/zinc/95/00/95/556950095.db2.gz	ZJELKTSIYYFVOX-LJQANCHMSA-N	0	1	442.497	3.082	40	0		IGABMN
Cc1cc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@H]1CCCO1	ZINC000072389583	556959661	/nfs/dbraw/zinc/95/96/61/556959661.db2.gz	HVBOCUMJMIUQOW-LAUBAEHRSA-N	0	1	439.604	3.162	40	0		IGABMN
Cc1cc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@H]1CCCO1	ZINC000072389583	556959664	/nfs/dbraw/zinc/95/96/64/556959664.db2.gz	HVBOCUMJMIUQOW-LAUBAEHRSA-N	0	1	439.604	3.162	40	0		IGABMN
COc1cc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC	ZINC000072395321	556966699	/nfs/dbraw/zinc/96/66/99/556966699.db2.gz	JMEXBZNPJGXFMV-AWEZNQCLSA-N	0	1	433.459	3.467	40	0		IGABMN
Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[nH]c(=O)c3C2)cs1	ZINC000072398968	556971266	/nfs/dbraw/zinc/97/12/66/556971266.db2.gz	CZCBNSLHWAWBTC-UHFFFAOYSA-N	0	1	449.580	3.113	40	0		IGABMN
COc1ccc(N2C(=O)C(OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409275399	557043788	/nfs/dbraw/zinc/04/37/88/557043788.db2.gz	JEEKYQMYRVSOQI-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
COc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1	ZINC000409275399	557043790	/nfs/dbraw/zinc/04/37/90/557043790.db2.gz	JEEKYQMYRVSOQI-NHCUHLMSSA-N	0	1	445.427	3.020	40	0		IGABMN
Cc1cc(NC(=O)c2ccc3nnc([C@@H]4CN(CC5CC5)CCN4C(C)C)n3c2)ccn1	ZINC000096088398	557168893	/nfs/dbraw/zinc/16/88/93/557168893.db2.gz	TUOGCNXUGQEOSA-NRFANRHFSA-N	0	1	433.560	3.162	40	0		IGABMN
Cc1nc(Cn2cc(-c3nc(C(=O)N4CCCN(C)CC4)c4ccccn43)nc2C)cs1	ZINC000096155123	557179415	/nfs/dbraw/zinc/17/94/15/557179415.db2.gz	HTGXQRJDBCCQKW-UHFFFAOYSA-N	0	1	449.584	3.097	40	0		IGABMN
CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1	ZINC000100233690	557251008	/nfs/dbraw/zinc/25/10/08/557251008.db2.gz	NXDSENOAJOHQGS-PKOBYXMFSA-N	0	1	448.571	3.140	40	0		IGABMN
COc1cccc(C[N@H+]2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)c1	ZINC000100242927	557254868	/nfs/dbraw/zinc/25/48/68/557254868.db2.gz	BLSFWKYZVFULEQ-JOCHJYFZSA-N	0	1	435.528	3.075	40	0		IGABMN
O[C@H](Cn1c2ccccc2c2cc(I)ccc21)CN1CCOCC1	ZINC000027489709	557262842	/nfs/dbraw/zinc/26/28/42/557262842.db2.gz	JNRMRZFZCXXZNY-HNNXBMFYSA-N	0	1	436.293	3.092	40	0		IGABMN
Cc1cc(O)c(-c2ccnc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c23)c(=O)o1	ZINC000102273500	557300788	/nfs/dbraw/zinc/30/07/88/557300788.db2.gz	CQEBCZUGNFJEDW-UHFFFAOYSA-N	0	1	444.491	3.411	40	0		IGABMN
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1	ZINC000223311231	557457968	/nfs/dbraw/zinc/45/79/68/557457968.db2.gz	OBALMTXQIITIAQ-UHFFFAOYSA-N	0	1	429.450	3.222	40	0		IGABMN
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)N[C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000016033237	557469009	/nfs/dbraw/zinc/46/90/09/557469009.db2.gz	QZVFUMCUHFVDPS-ONJZCGHCSA-N	0	1	429.904	3.450	40	0		IGABMN
COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1	ZINC000224750101	557647555	/nfs/dbraw/zinc/64/75/55/557647555.db2.gz	NQHJBJMQTBJCIG-UHFFFAOYSA-N	0	1	446.554	3.019	40	0		IGABMN
CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)n2)s1	ZINC000257214223	568671779	/nfs/dbraw/zinc/67/17/79/568671779.db2.gz	CLCWREXLBLQHOD-SFHVURJKSA-N	0	1	444.605	3.261	40	0		IGABMN
CCn1c2ccc(NC(=O)CN3C[C@@H]4[C@@H](Cc5ccc(C)cn5)CC[C@@H]4C3)cc2oc1=O	ZINC000257224980	568676360	/nfs/dbraw/zinc/67/63/60/568676360.db2.gz	FEGDRYPVNCEJEN-DBXWQHBBSA-N	0	1	434.540	3.457	40	0		IGABMN
CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1	ZINC000257239598	568683509	/nfs/dbraw/zinc/68/35/09/568683509.db2.gz	HQBHRRPKPZKWGI-MRXNPFEDSA-N	0	1	433.549	3.245	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC000257251900	568689643	/nfs/dbraw/zinc/68/96/43/568689643.db2.gz	JSTVSAPXVDORIR-HXUWFJFHSA-N	0	1	441.919	3.110	40	0		IGABMN
Cc1ncc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c(C)n1	ZINC000257269828	568697621	/nfs/dbraw/zinc/69/76/21/568697621.db2.gz	MROJNDMQJHZFFY-NRFANRHFSA-N	0	1	441.919	3.305	40	0		IGABMN
CCCn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)cn1	ZINC000257314705	568717395	/nfs/dbraw/zinc/71/73/95/568717395.db2.gz	UYCXUSXQEJMHDP-QGZVFWFLSA-N	0	1	426.565	3.441	40	0		IGABMN
CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2	ZINC000306134252	568768262	/nfs/dbraw/zinc/76/82/62/568768262.db2.gz	NHBCXDJTYQXQIX-OAQYLSRUSA-N	0	1	435.568	3.089	40	0		IGABMN
COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1	ZINC000306136503	568769465	/nfs/dbraw/zinc/76/94/65/568769465.db2.gz	PVHPXWIFZNHELW-YADHBBJMSA-N	0	1	431.492	3.307	40	0		IGABMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101343191	568782156	/nfs/dbraw/zinc/78/21/56/568782156.db2.gz	XRGXUDGPDOIAIG-FDGPYGQJSA-N	0	1	435.911	3.388	40	0		IGABMN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cncc(Br)c1	ZINC000000958050	568787699	/nfs/dbraw/zinc/78/76/99/568787699.db2.gz	IHSBDOWAZDHXEU-UHFFFAOYSA-N	0	1	433.287	3.292	40	0		IGABMN
O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@@H+](C[C@@H]5CC=CCC5)C4)[n-]n3c(=O)c2C1	ZINC000247713760	569206069	/nfs/dbraw/zinc/20/60/69/569206069.db2.gz	LXFHKHJZCOTKIG-MJGOQNOKSA-N	0	1	435.572	3.265	40	0		IGABMN
COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1	ZINC000247879849	569206328	/nfs/dbraw/zinc/20/63/28/569206328.db2.gz	IKQQUMCOJXYOEM-QUCCMNQESA-N	0	1	448.567	3.421	40	0		IGABMN
CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1	ZINC000019702026	569231599	/nfs/dbraw/zinc/23/15/99/569231599.db2.gz	RLSUQYISAMUFDK-MRXNPFEDSA-N	0	1	436.585	3.378	40	0		IGABMN
O=C(COc1ccccc1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1	ZINC000019705021	569233869	/nfs/dbraw/zinc/23/38/69/569233869.db2.gz	PFXDSDFCGCJFSQ-KRWDZBQOSA-N	0	1	428.496	3.360	40	0		IGABMN
Cc1nc(C2CCN(C(=O)CN3CCCCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1	ZINC000019763978	569238229	/nfs/dbraw/zinc/23/82/29/569238229.db2.gz	JTONCUOSGROTSV-UHFFFAOYSA-N	0	1	439.535	3.368	40	0		IGABMN
O=C([O-])c1nn(-c2ccc(Br)cc2)nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000256047101	569300932	/nfs/dbraw/zinc/30/09/32/569300932.db2.gz	KIYPWMGFCVAVSV-UHFFFAOYSA-N	0	1	442.317	3.050	40	0		IGABMN
O=C([O-])c1nn(-c2cccc(C(F)(F)F)c2)nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000256046453	569300959	/nfs/dbraw/zinc/30/09/59/569300959.db2.gz	FZWQETHJTYCGOK-UHFFFAOYSA-N	0	1	431.418	3.307	40	0		IGABMN
Cn1nc(-c2ccccc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2	ZINC000008635325	569469529	/nfs/dbraw/zinc/46/95/29/569469529.db2.gz	NCGBVLQPZRZGSN-TYPHKJRUSA-N	0	1	444.535	3.424	40	0	biogenic,in-vitro	IGABMN
Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2	ZINC000008635325	569469530	/nfs/dbraw/zinc/46/95/30/569469530.db2.gz	NCGBVLQPZRZGSN-TYPHKJRUSA-N	0	1	444.535	3.424	40	0	biogenic,in-vitro	IGABMN
O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccc(Cl)cc1	ZINC000008635724	291363932	/nfs/dbraw/zinc/36/39/32/291363932.db2.gz	GJZKYBUJSXBBEE-QKNQBKEWSA-N	0	1	446.016	3.391	40	0	biogenic,in-vitro	IGABMN
O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccc(Cl)cc1	ZINC000008635724	291363933	/nfs/dbraw/zinc/36/39/33/291363933.db2.gz	GJZKYBUJSXBBEE-QKNQBKEWSA-N	0	1	446.016	3.391	40	0	biogenic,in-vitro	IGABMN
COc1cc(OC)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1NC(C)=O	ZINC000012485106	522829169	/nfs/dbraw/zinc/82/91/69/522829169.db2.gz	XNFHWPKAAWXRIL-UHFFFAOYSA-N	0	1	433.530	3.453	40	0		IGABMN
COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1Br	ZINC000408608151	555978785	/nfs/dbraw/zinc/97/87/85/555978785.db2.gz	VFJIQEATRPFXED-HNNXBMFYSA-N	0	1	429.336	3.211	40	0		IGABMN
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1	ZINC000408706396	556112835	/nfs/dbraw/zinc/11/28/35/556112835.db2.gz	LZFTWHDRXOHOTM-UHFFFAOYSA-N	0	1	446.525	3.155	40	0		IGABMN
Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)on1	ZINC000019119907	556700855	/nfs/dbraw/zinc/70/08/55/556700855.db2.gz	TVEUTDQWWDQFIG-HXUWFJFHSA-N	0	1	439.560	3.372	40	0		IGABMN
Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)on1	ZINC000019119907	556700857	/nfs/dbraw/zinc/70/08/57/556700857.db2.gz	TVEUTDQWWDQFIG-HXUWFJFHSA-N	0	1	439.560	3.372	40	0		IGABMN
CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCc2cccc3c2OCO3)CC1	ZINC000257315610	556703936	/nfs/dbraw/zinc/70/39/36/556703936.db2.gz	VCDIEMSLTUYMIH-XMMPIXPASA-N	0	1	444.503	3.121	40	0		IGABMN
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cc1C	ZINC000019214316	556711381	/nfs/dbraw/zinc/71/13/81/556711381.db2.gz	WRMFSOHPFLHOTQ-OAQYLSRUSA-N	0	1	444.601	3.069	40	0		IGABMN
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cc1C	ZINC000019214316	556711385	/nfs/dbraw/zinc/71/13/85/556711385.db2.gz	WRMFSOHPFLHOTQ-OAQYLSRUSA-N	0	1	444.601	3.069	40	0		IGABMN
Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019238689	556724068	/nfs/dbraw/zinc/72/40/68/556724068.db2.gz	UYUBFIYIBCKXGX-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019238689	556724071	/nfs/dbraw/zinc/72/40/71/556724071.db2.gz	UYUBFIYIBCKXGX-LJQANCHMSA-N	0	1	435.553	3.070	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCC(C)CC3)[n-]c(=O)c2C1	ZINC000019239483	556725084	/nfs/dbraw/zinc/72/50/84/556725084.db2.gz	JWKSJSCJWBHAFU-QRFVXNFXSA-N	0	1	435.572	3.387	40	0		IGABMN
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCC(C)CC3)[n-]c(=O)c2C1	ZINC000019239483	556725087	/nfs/dbraw/zinc/72/50/87/556725087.db2.gz	JWKSJSCJWBHAFU-QRFVXNFXSA-N	0	1	435.572	3.387	40	0		IGABMN
Cc1ncc(CN2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cn1	ZINC000019287177	556728261	/nfs/dbraw/zinc/72/82/61/556728261.db2.gz	GAYPYLZHWLSNEH-LIMIJEPZSA-N	0	1	437.569	3.018	40	0		IGABMN
O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2	ZINC000019345583	556742579	/nfs/dbraw/zinc/74/25/79/556742579.db2.gz	OBRJYOPZUJSJTN-RBUKOAKNSA-N	0	1	431.916	3.495	40	0		IGABMN
O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2	ZINC000019401216	556753530	/nfs/dbraw/zinc/75/35/30/556753530.db2.gz	VAYHYYXWHDCFJF-JOCHJYFZSA-N	0	1	435.572	3.010	40	0		IGABMN
O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2	ZINC000019401216	556753533	/nfs/dbraw/zinc/75/35/33/556753533.db2.gz	VAYHYYXWHDCFJF-JOCHJYFZSA-N	0	1	435.572	3.010	40	0		IGABMN
Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)cnn1C	ZINC000019553345	556797337	/nfs/dbraw/zinc/79/73/37/556797337.db2.gz	CFLVDXMIPGADPX-NRFANRHFSA-N	0	1	438.576	3.282	40	0		IGABMN
Cc1nn(CC(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c(C)c1C	ZINC000019556605	556799294	/nfs/dbraw/zinc/79/92/94/556799294.db2.gz	QGXDJGAOYJYDTR-UHFFFAOYSA-N	0	1	438.551	3.129	40	0		IGABMN
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1	ZINC000019570599	556810686	/nfs/dbraw/zinc/81/06/86/556810686.db2.gz	HUGXMROWVOQRKB-ICSRJNTNSA-N	0	1	448.567	3.421	40	0		IGABMN
COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)c1ccn[nH]1	ZINC000019694827	556851075	/nfs/dbraw/zinc/85/10/75/556851075.db2.gz	WNRUQHXBCLAUBM-KRWDZBQOSA-N	0	1	436.516	3.317	40	0		IGABMN
COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(C(=O)CN(C)C)C4)nc32)cc1	ZINC000019706540	556864730	/nfs/dbraw/zinc/86/47/30/556864730.db2.gz	JAVXCLQMGYKTFW-HXUWFJFHSA-N	0	1	437.588	3.014	40	0		IGABMN
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1	ZINC000019740634	556881224	/nfs/dbraw/zinc/88/12/24/556881224.db2.gz	VNTQJSYWQOPLBY-OAQYLSRUSA-N	0	1	439.604	3.404	40	0		IGABMN
COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(Cc4ccccn4)C3)nc2C)c1	ZINC000019763424	556908163	/nfs/dbraw/zinc/90/81/63/556908163.db2.gz	RJEHJEBZAUCDKG-FQEVSTJZSA-N	0	1	431.540	3.498	40	0		IGABMN
C=C1N=C(SCC(=O)Nc2nnc(CC)s2)N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000408986667	556909687	/nfs/dbraw/zinc/90/96/87/556909687.db2.gz	CUAKXYXEYQTESX-KRWDZBQOSA-N	0	1	445.570	3.310	40	0		IGABMN
COc1ccc(CN2CCC(n3nc(-c4c(C)nn(C)c4C)ccc3=O)CC2)cc1OC	ZINC000072342843	556914654	/nfs/dbraw/zinc/91/46/54/556914654.db2.gz	GEXKFBKZBANXKA-UHFFFAOYSA-N	0	1	437.544	3.115	40	0		IGABMN
CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccc(OC)c3)CC2)o1	ZINC000072344897	556915806	/nfs/dbraw/zinc/91/58/06/556915806.db2.gz	ITFOSTHPFHGVTL-HXUWFJFHSA-N	0	1	448.589	3.335	40	0		IGABMN
COc1ccccc1[C@H](CNc1cc(Cn2ncc3ccccc3c2=O)nc(C)n1)N(C)C	ZINC000072373358	556946657	/nfs/dbraw/zinc/94/66/57/556946657.db2.gz	FYVMXCXEXSSLDO-QFIPXVFZSA-N	0	1	444.539	3.267	40	0		IGABMN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1	ZINC000072375032	556950588	/nfs/dbraw/zinc/95/05/88/556950588.db2.gz	QZLRGHSBBGNFRD-INIZCTEOSA-N	0	1	428.518	3.097	40	0		IGABMN
Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12	ZINC000585110212	557043395	/nfs/dbraw/zinc/04/33/95/557043395.db2.gz	XPRDSBVEBBUICZ-RTWAWAEBSA-N	0	1	445.523	3.110	40	0		IGABMN
O=C(OC1C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409303058	557055962	/nfs/dbraw/zinc/05/59/62/557055962.db2.gz	GNYHGMHQQIOVJT-WOJBJXKFSA-N	0	1	433.391	3.150	40	0		IGABMN
O=C(O[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409303058	557055967	/nfs/dbraw/zinc/05/59/67/557055967.db2.gz	GNYHGMHQQIOVJT-WOJBJXKFSA-N	0	1	433.391	3.150	40	0		IGABMN
Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4CCO)CC3)n2)s1	ZINC000585262679	557202958	/nfs/dbraw/zinc/20/29/58/557202958.db2.gz	SFOFXDFXCWCXMU-IBGZPJMESA-N	0	1	429.590	3.143	40	0		IGABMN
CCCc1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)no1	ZINC000100234284	557252371	/nfs/dbraw/zinc/25/23/71/557252371.db2.gz	ZOQTZDZXSHWJFP-HXUWFJFHSA-N	0	1	438.532	3.119	40	0		IGABMN
COc1c(C)cccc1C[N@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100243145	557255248	/nfs/dbraw/zinc/25/52/48/557255248.db2.gz	RMHPYDJISQPTPP-QFIPXVFZSA-N	0	1	449.555	3.384	40	0		IGABMN
CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)c1	ZINC000013586032	557356466	/nfs/dbraw/zinc/35/64/66/557356466.db2.gz	CUIFJEONCKZPSH-UHFFFAOYSA-N	0	1	447.538	3.101	40	0		IGABMN
Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	ZINC000223115115	557433713	/nfs/dbraw/zinc/43/37/13/557433713.db2.gz	NNBVOHGLPIIIJA-UHFFFAOYSA-N	0	1	430.555	3.318	40	0		IGABMN
CCN1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1	ZINC000019527912	557501744	/nfs/dbraw/zinc/50/17/44/557501744.db2.gz	FFTCNWCQNMOBQA-QHCPKHFHSA-N	0	1	449.603	3.364	40	0		IGABMN
Cc1ccccc1CSCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000224208682	557575354	/nfs/dbraw/zinc/57/53/54/557575354.db2.gz	RKFBHRHJWIZNQV-UHFFFAOYSA-N	0	1	448.595	3.311	40	0		IGABMN
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3cccc(OC(C)C)c3)s2)cc1	ZINC000224381453	557599561	/nfs/dbraw/zinc/59/95/61/557599561.db2.gz	QGAOBAFPUJCAEW-UHFFFAOYSA-N	0	1	446.554	3.365	40	0		IGABMN
CCCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000225197371	557698890	/nfs/dbraw/zinc/69/88/90/557698890.db2.gz	WXXODJGNEGISIY-UHFFFAOYSA-N	0	1	446.554	3.100	40	0		IGABMN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1C	ZINC000225596711	557749447	/nfs/dbraw/zinc/74/94/47/557749447.db2.gz	AWIBRIUOAZMDAD-UHFFFAOYSA-N	0	1	442.534	3.118	40	0		IGABMN
CC(C)n1c2ccc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2sc1=O	ZINC000225717954	557767831	/nfs/dbraw/zinc/76/78/31/557767831.db2.gz	CLDIFNFKAMGUPW-UHFFFAOYSA-N	0	1	446.598	3.197	40	0		IGABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000061997527	557829740	/nfs/dbraw/zinc/82/97/40/557829740.db2.gz	DLPGSFRECXFFPX-QRPYMDLRSA-N	0	1	428.548	3.233	40	0		IGABMN
COc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1	ZINC000015675962	560094841	/nfs/dbraw/zinc/09/48/41/560094841.db2.gz	HRSWNDRIHGGYIS-FQEVSTJZSA-N	0	1	431.452	3.417	40	0	biogenic,in-vitro	IGABMN
COc1cc2c(cc1CNc1cc(-c3cn[nH]c3[C@@H]3CCN(C(C)=O)C3)ccn1)OCCO2	ZINC000257208789	568669097	/nfs/dbraw/zinc/66/90/97/568669097.db2.gz	BNPBTJCWESQNKU-QGZVFWFLSA-N	0	1	449.511	3.199	40	0		IGABMN
COc1ccc(OC)c(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1	ZINC000257218756	568673626	/nfs/dbraw/zinc/67/36/26/568673626.db2.gz	DEICLGXFSSRBJN-GOSISDBHSA-N	0	1	426.561	3.167	40	0		IGABMN
Cc1cc(C)nc(NCCCC(=O)N2CCC[C@@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)n1	ZINC000257220789	568674789	/nfs/dbraw/zinc/67/47/89/568674789.db2.gz	DMDXNAWVDZBORA-LJQANCHMSA-N	0	1	437.523	3.497	40	0		IGABMN
Cc1cc(C)nc(NCCCC(=O)N2CCC[C@@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)n1	ZINC000257220789	568674790	/nfs/dbraw/zinc/67/47/90/568674790.db2.gz	DMDXNAWVDZBORA-LJQANCHMSA-N	0	1	437.523	3.497	40	0		IGABMN
c1cn2nc(C[C@@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)ccc2n1	ZINC000257237735	568682839	/nfs/dbraw/zinc/68/28/39/568682839.db2.gz	HHXLSHQKIOAEGP-NRFANRHFSA-N	0	1	429.524	3.394	40	0		IGABMN
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC000257267853	568696741	/nfs/dbraw/zinc/69/67/41/568696741.db2.gz	MJAJMBSOWMBWBO-HXUWFJFHSA-N	0	1	441.919	3.110	40	0		IGABMN
Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)n1	ZINC000257308094	568714708	/nfs/dbraw/zinc/71/47/08/568714708.db2.gz	TVJCONRRLLMFRT-KRWDZBQOSA-N	0	1	438.557	3.170	40	0		IGABMN
CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)CN2CCC(C(N)=O)CC2)CO[C@H]1c1ccc(F)cc1	ZINC000257316717	568718152	/nfs/dbraw/zinc/71/81/52/568718152.db2.gz	VGRMQKWILCRGML-RSEQLOHWSA-N	0	1	445.579	3.118	40	0		IGABMN
O=C(c1cnccn1)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1	ZINC000257329492	568724252	/nfs/dbraw/zinc/72/42/52/568724252.db2.gz	XKERJQUARPXLJI-IBGZPJMESA-N	0	1	447.417	3.054	40	0		IGABMN
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1	ZINC000257336136	568726857	/nfs/dbraw/zinc/72/68/57/568726857.db2.gz	YNIZSWZXDKYGBX-SANMLTNESA-N	0	1	448.567	3.138	40	0		IGABMN
COc1ccc(CN2CCO[C@]3(CN(Cc4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1	ZINC000306136624	568769486	/nfs/dbraw/zinc/76/94/86/568769486.db2.gz	PYSHDTWZUCEROF-NOZRDPDXSA-N	0	1	433.508	3.080	40	0		IGABMN
COc1ccc(CN2CCO[C@@]3(CN(Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1	ZINC000306136625	568769514	/nfs/dbraw/zinc/76/95/14/568769514.db2.gz	PYSHDTWZUCEROF-UKILVPOCSA-N	0	1	433.508	3.080	40	0		IGABMN
Cc1cccc(CN2CCC3(CC2)Cc2nnc(C(=O)NC(C)C)n2-c2ccccc2O3)n1	ZINC000306141188	568771826	/nfs/dbraw/zinc/77/18/26/568771826.db2.gz	VNZZBVKELYRDBN-UHFFFAOYSA-N	0	1	446.555	3.079	40	0		IGABMN
COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)c1	ZINC000019693390	569228809	/nfs/dbraw/zinc/22/88/09/569228809.db2.gz	PQCLNRJSISGROK-QFIPXVFZSA-N	0	1	447.539	3.287	40	0		IGABMN
CNc1nc(C2CCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)nc2c1CCNC2	ZINC000019710914	569327490	/nfs/dbraw/zinc/32/74/90/569327490.db2.gz	RFDPINKNULDLEI-HNNXBMFYSA-N	0	1	427.980	3.402	40	0		IGABMN
CCn1c(CN2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)nc2ccccc21	ZINC000019761419	569328695	/nfs/dbraw/zinc/32/86/95/569328695.db2.gz	YWLHSEHZWKRWPM-SFHVURJKSA-N	0	1	443.551	3.316	40	0		IGABMN