smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1	ZINC000013863387	563013263	/nfs/dbraw/zinc/01/32/63/563013263.db2.gz	OKNLSDNUZNHITO-UHFFFAOYSA-N	0	1	433.556	3.080	1	0		IGAFMN
COc1ccc(C(c2ccc(OC)cc2)[S@](=O)CC[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000028902794	563069244	/nfs/dbraw/zinc/06/92/44/563069244.db2.gz	DLBMGJDSMCTQQN-QTEAWJPNSA-N	0	1	431.554	3.339	1	0		IGAFMN
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1cnc[nH]1	ZINC000029566120	563082571	/nfs/dbraw/zinc/08/25/71/563082571.db2.gz	CJQBVEGZKWGXGA-JOCHJYFZSA-N	0	1	431.496	3.087	1	0		IGAFMN
O=C(NCc1cccc(-c2cccc(C(=O)N3CCNCC3)c2)c1)c1ccc2c(c1)OCO2	ZINC000040954765	563114467	/nfs/dbraw/zinc/11/44/67/563114467.db2.gz	CBXIVVZYUDSZRU-UHFFFAOYSA-N	0	1	443.503	3.058	1	0		IGAFMN
COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)cc(OC)c1OC	ZINC000045496099	563134438	/nfs/dbraw/zinc/13/44/38/563134438.db2.gz	ZTUGTPYWOVEFBG-QGZVFWFLSA-N	0	1	433.363	3.402	1	0		IGAFMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2CCC[N@H+]21	ZINC000058523812	563143910	/nfs/dbraw/zinc/14/39/10/563143910.db2.gz	AJLWQLFSQWOCDO-LIOHBJMPSA-N	0	1	428.536	3.241	1	0		IGAFMN
COc1ccccc1N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3s2)CC1	ZINC000066151567	563159572	/nfs/dbraw/zinc/15/95/72/563159572.db2.gz	OUNYCNQDFAUREF-LJQANCHMSA-N	0	1	439.581	3.213	1	0		IGAFMN
COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1	ZINC000072173643	563165191	/nfs/dbraw/zinc/16/51/91/563165191.db2.gz	DIHJKGKNVGCNHJ-UHFFFAOYSA-N	0	1	447.579	3.241	1	0		IGAFMN
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1cc(CC)on1	ZINC000073221182	563170512	/nfs/dbraw/zinc/17/05/12/563170512.db2.gz	HGVIRYRWXZFDIP-UHFFFAOYSA-N	0	1	428.445	3.429	1	0		IGAFMN
Cc1[nH]nc2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C4CCC4)nc1C(=O)N3)cc2C	ZINC000096283393	563197168	/nfs/dbraw/zinc/19/71/68/563197168.db2.gz	XWOUDZDOYRSZQK-UHFFFAOYSA-N	0	1	432.528	3.062	1	0		IGAFMN
CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccccc3)NCc3cncs3)n(C)n2)ccn1	ZINC000096284453	563197266	/nfs/dbraw/zinc/19/72/66/563197266.db2.gz	SVSIQPATYGZVGT-FQEVSTJZSA-N	0	1	447.568	3.320	1	0		IGAFMN
S=C(NCc1cccc(I)c1)N1CCC(c2cnc[nH]2)CC1	ZINC000013808003	563008689	/nfs/dbraw/zinc/00/86/89/563008689.db2.gz	UUZKSECOFPKBDH-UHFFFAOYSA-N	0	1	426.327	3.268	1	0		IGAFMN
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1	ZINC000013835842	563012180	/nfs/dbraw/zinc/01/21/80/563012180.db2.gz	MTBIBWFHYCAYTO-DVECYGJZSA-N	0	1	429.511	3.485	1	0		IGAFMN
COc1cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC	ZINC000026939748	563038003	/nfs/dbraw/zinc/03/80/03/563038003.db2.gz	ZUKLQPSFXBGCBI-KRWDZBQOSA-N	0	1	443.452	3.107	1	0		IGAFMN
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1n[n-]c(=S)o1)C2	ZINC000028262399	563052460	/nfs/dbraw/zinc/05/24/60/563052460.db2.gz	UKJJYGWKCLKGDT-IHNCAGORSA-N	0	1	439.537	3.129	1	0		IGAFMN
O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CC[NH2+]CC3)cc2[n-]1	ZINC000029050429	563072973	/nfs/dbraw/zinc/07/29/73/563072973.db2.gz	DRYTYYZFPGOGGU-UHFFFAOYSA-N	0	1	443.331	3.392	1	0		IGAFMN
O[C@H]1CCN(Cc2cccc(Br)c2)C[C@H]1N1CCN(c2ccccc2)CC1	ZINC000038156626	563096762	/nfs/dbraw/zinc/09/67/62/563096762.db2.gz	KTOAHCJQSOZXQM-YADHBBJMSA-N	0	1	430.390	3.207	1	0		IGAFMN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(c2ccccc2)CC1	ZINC000040950507	563113873	/nfs/dbraw/zinc/11/38/73/563113873.db2.gz	WGVIOAKACLGRAF-XZOQPEGZSA-N	0	1	425.573	3.306	1	0		IGAFMN
COc1ccccc1N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3s2)CC1	ZINC000066151568	563159580	/nfs/dbraw/zinc/15/95/80/563159580.db2.gz	OUNYCNQDFAUREF-IBGZPJMESA-N	0	1	439.581	3.213	1	0		IGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1	ZINC000066166620	563159738	/nfs/dbraw/zinc/15/97/38/563159738.db2.gz	KIAANALRJGLJFT-UHFFFAOYSA-N	0	1	429.536	3.376	1	0		IGAFMN
CCOC(=O)n1c2ccccc2c2c1N(C(=O)OCC)N(C(=O)OCC)C(OC)C2=O	ZINC000005922865	562945392	/nfs/dbraw/zinc/94/53/92/562945392.db2.gz	HQAKEXUTVHEVBV-QGZVFWFLSA-N	0	1	433.417	3.151	1	0		IGAFMN
CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012026548	562980302	/nfs/dbraw/zinc/98/03/02/562980302.db2.gz	KQYKLQASQVGJEY-NTKDMRAZSA-N	0	1	439.512	3.032	1	0		IGAFMN
COc1ccc2nc(CCN(C)C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)[nH]c2c1	ZINC000012433567	562982140	/nfs/dbraw/zinc/98/21/40/562982140.db2.gz	PRRWGYCFCXHGAW-KRWDZBQOSA-N	0	1	438.503	3.150	3	0		IGAFMN
O=c1ccc(-n2ccnc2)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1	ZINC000013475447	562988860	/nfs/dbraw/zinc/98/88/60/562988860.db2.gz	QTZVQJWECQHFRT-UHFFFAOYSA-N	0	1	440.979	3.465	1	0		IGAFMN
O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH+]4CCC3CC4)c(F)cc2c1=O	ZINC000013650318	562999082	/nfs/dbraw/zinc/99/90/82/562999082.db2.gz	QPRZPTIWPFZPEH-UHFFFAOYSA-N	0	1	425.435	3.252	1	0		IGAFMN
O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CCC([NH+]2CCCCC2)CC1	ZINC000013725938	563001351	/nfs/dbraw/zinc/00/13/51/563001351.db2.gz	VESLONFNRNANOV-UHFFFAOYSA-N	0	1	437.544	3.040	1	0		IGAFMN
Nc1ccc(F)cc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013747170	563004127	/nfs/dbraw/zinc/00/41/27/563004127.db2.gz	IZSSCOJRGGDNKM-UHFFFAOYSA-N	0	1	427.549	3.350	1	0		IGAFMN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(F)cc21	ZINC000013796173	563007344	/nfs/dbraw/zinc/00/73/44/563007344.db2.gz	NKHBDYWVSJQWHJ-HUUCEWRRSA-N	0	1	443.523	3.431	1	0		IGAFMN
O=S1(=O)NC2(CCN(CCc3ccc(Cl)cc3)CC2)Nc2cc(F)cc(F)c21	ZINC000024905975	563027357	/nfs/dbraw/zinc/02/73/57/563027357.db2.gz	DLHHHBONHYKLOR-UHFFFAOYSA-N	0	1	427.904	3.357	1	0		IGAFMN
CC[N@H+]1CCC[C@H]1CNC(=O)c1c([O-])c(Br)cc(Br)c1OC	ZINC000026160354	563029177	/nfs/dbraw/zinc/02/91/77/563029177.db2.gz	JNFBCMWINGLNPB-VIFPVBQESA-N	0	1	436.144	3.140	1	0		IGAFMN
N[C@@H](C(=O)N1CCC(Nc2ccc3n[nH]cc3c2)CC1)c1ccc(Br)cc1	ZINC000028891743	563068378	/nfs/dbraw/zinc/06/83/78/563068378.db2.gz	LBKUIYUPKQWTEX-LJQANCHMSA-N	0	1	428.334	3.428	1	0		IGAFMN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C)cc1	ZINC000068203969	563161201	/nfs/dbraw/zinc/16/12/01/563161201.db2.gz	KYHDRKVDXZQWIA-ZAAXVRCTSA-N	0	1	436.560	3.202	1	0		IGAFMN
Cc1[nH]nc2c1cc(C(=O)N1CCC3(CC1)Cc1cnn(C(C)(C)C)c1C(=O)N3)cc2C	ZINC000096283385	563197186	/nfs/dbraw/zinc/19/71/86/563197186.db2.gz	NMQRSNGVNQRDDW-UHFFFAOYSA-N	0	1	434.544	3.092	1	0		IGAFMN
Cc1oc(-c2ccccc2C)nc1CN1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1	ZINC000004100902	562941876	/nfs/dbraw/zinc/94/18/76/562941876.db2.gz	SITTZQIIZMJXSK-OAQYLSRUSA-N	0	1	440.588	3.009	3	0		IGAFMN
Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN(CCO)CC3)nc2n2cncc12	ZINC000013582086	562994700	/nfs/dbraw/zinc/99/47/00/562994700.db2.gz	IEVSCTYDBMFTDY-UHFFFAOYSA-N	0	1	437.935	3.097	1	0		IGAFMN
CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1	ZINC000013685938	563001130	/nfs/dbraw/zinc/00/11/30/563001130.db2.gz	YFGOCVGEMQNGLD-UHFFFAOYSA-N	0	1	433.484	3.164	1	0		IGAFMN
Cc1ccc2c(c1)N(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2	ZINC000013796012	563007285	/nfs/dbraw/zinc/00/72/85/563007285.db2.gz	VJJWDQAWGHONBZ-IYBDPMFKSA-N	0	1	425.533	3.258	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC[C@H](C)CC)CC1	ZINC000013822793	563010245	/nfs/dbraw/zinc/01/02/45/563010245.db2.gz	JQGXTRLSVKQMOV-LJQANCHMSA-N	0	1	432.561	3.417	1	0		IGAFMN
C[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C	ZINC000015953067	563020415	/nfs/dbraw/zinc/02/04/15/563020415.db2.gz	LEPOOZSCPFHWQQ-INIZCTEOSA-N	0	1	448.523	3.389	3	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccsc2)ccc1O	ZINC000026815747	563036714	/nfs/dbraw/zinc/03/67/14/563036714.db2.gz	XWSXEKBJKIHRDY-RXVVDRJESA-N	0	1	432.567	3.432	1	0		IGAFMN
COc1ccc([C@H](CC(=O)[O-])Cc2cc(OCCc3ccc4c([nH+]3)NCCC4)no2)cn1	ZINC000036269250	563092389	/nfs/dbraw/zinc/09/23/89/563092389.db2.gz	QHSKOAKVMQHGPS-KRWDZBQOSA-N	0	1	438.484	3.254	1	0		IGAFMN
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2ncn(C)c2c(Br)c1	ZINC000036330269	563092820	/nfs/dbraw/zinc/09/28/20/563092820.db2.gz	QWZRNGBQOKSSMJ-UHFFFAOYSA-N	0	1	445.389	3.236	1	0		IGAFMN
CC[C@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1	ZINC000036386511	563094561	/nfs/dbraw/zinc/09/45/61/563094561.db2.gz	LSQCZRUKUQGAAE-STEVZKDNSA-N	0	1	430.570	3.261	3	0		IGAFMN
Cc1ccc2c(cc(F)cc2N2CCN(CCc3cccc4c3OCC(=O)N4C)CC2)n1	ZINC000040892224	563110004	/nfs/dbraw/zinc/11/00/04/563110004.db2.gz	SQAJJIRLNALPSN-UHFFFAOYSA-N	0	1	434.515	3.402	1	0		IGAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1	ZINC000049088085	563137956	/nfs/dbraw/zinc/13/79/56/563137956.db2.gz	RDTLVFVORPQDDQ-SANMLTNESA-N	0	1	448.567	3.065	1	0		IGAFMN
CN(C)CC(=O)N[C@@H]1CCC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1	ZINC000063539766	563152337	/nfs/dbraw/zinc/15/23/37/563152337.db2.gz	RGOPHVZLEMGMBZ-KGLIPLIRSA-N	0	1	427.940	3.074	1	0		IGAFMN
CN(C)CC(=O)N[C@H]1CCC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1	ZINC000063539767	563152360	/nfs/dbraw/zinc/15/23/60/563152360.db2.gz	RGOPHVZLEMGMBZ-KBPBESRZSA-N	0	1	427.940	3.074	1	0		IGAFMN
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2N2CC[C@H]([NH+](C)C)C2)NC(=O)CC3)cc1C	ZINC000073223383	563170897	/nfs/dbraw/zinc/17/08/97/563170897.db2.gz	NFXGFWJXAFTFGK-IBGZPJMESA-N	0	1	442.585	3.129	1	0		IGAFMN
COc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1	ZINC000013475450	562988906	/nfs/dbraw/zinc/98/89/06/562988906.db2.gz	YSCMWEZTXQBYPQ-UHFFFAOYSA-N	0	1	443.551	3.408	1	0		IGAFMN
CN(C(=O)CNCCN1C(=O)CC2(CCCC2)CC1=O)c1cc(Cl)ccc1Cl	ZINC000013560150	562994217	/nfs/dbraw/zinc/99/42/17/562994217.db2.gz	JQADWKQLVHNXRA-UHFFFAOYSA-N	0	1	426.344	3.255	1	0		IGAFMN
Cc1nc(CN2C(=O)[C@@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)n[nH]1	ZINC000013587931	562995796	/nfs/dbraw/zinc/99/57/96/562995796.db2.gz	IUQPIQITRCMSQR-SFHVURJKSA-N	0	1	434.887	3.136	1	0		IGAFMN
Nc1c(F)cccc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013747185	563004134	/nfs/dbraw/zinc/00/41/34/563004134.db2.gz	PJBGKTDMNYSFJA-UHFFFAOYSA-N	0	1	427.549	3.350	1	0		IGAFMN
COc1ccc(-c2nc(CN3CCC(C(=O)NC[C@H]4CCCO4)CC3)c(C)o2)cc1OC	ZINC000015944533	563020298	/nfs/dbraw/zinc/02/02/98/563020298.db2.gz	UZVPOEOFJKTXDC-LJQANCHMSA-N	0	1	443.544	3.174	3	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O	ZINC000026829028	563037142	/nfs/dbraw/zinc/03/71/42/563037142.db2.gz	BMXMIHXNOZCZMR-NRFANRHFSA-N	0	1	448.491	3.455	1	0		IGAFMN
COc1ccccc1O[C@@H](c1cccc(I)c1)[C@@H]1CNCCO1	ZINC000028881099	563067846	/nfs/dbraw/zinc/06/78/46/563067846.db2.gz	MGRHQJGGNQRJSA-ROUUACIJSA-N	0	1	425.266	3.408	1	0		IGAFMN
C[N@H+](C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2)CCO	ZINC000036178080	563091605	/nfs/dbraw/zinc/09/16/05/563091605.db2.gz	JCYHJGUWBFKOMS-RMKNXTFCSA-N	0	1	444.553	3.002	1	0		IGAFMN
C[C@H](NC(=O)c1nc[nH]c1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1	ZINC000036388107	563094750	/nfs/dbraw/zinc/09/47/50/563094750.db2.gz	DNPUXVLTCAUWNA-INIZCTEOSA-N	0	1	443.548	3.326	3	0		IGAFMN
CCN1CCN(/C=C2\N=C3CN=C(c4ccccc4)c4cc(Cl)ccc4N3C2=O)CC1	ZINC000039215744	563098863	/nfs/dbraw/zinc/09/88/63/563098863.db2.gz	OWQWHHBFJRPTIK-SILNSSARSA-N	0	1	433.943	3.415	1	0		IGAFMN
O=C(NCc1ccccc1)[C@@H](CCO)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000066066425	563157125	/nfs/dbraw/zinc/15/71/25/563157125.db2.gz	YPCXDDKHBOMGOH-AREMUKBSSA-N	0	1	443.591	3.461	1	0		IGAFMN
O=C1c2ccccc2CN1[C@H]1CCC(=O)N(CSC(=S)NC2CCCCC2)C1=O	ZINC000072175685	563165510	/nfs/dbraw/zinc/16/55/10/563165510.db2.gz	POXXVGMGQXWICZ-KRWDZBQOSA-N	0	1	431.583	3.058	1	0		IGAFMN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(C)C)C3)cc1	ZINC000095589090	563189558	/nfs/dbraw/zinc/18/95/58/563189558.db2.gz	RWSCHRBISRWGQQ-KRWDZBQOSA-N	0	1	438.576	3.277	1	0		IGAFMN
CCN1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000021098239	521695900	/nfs/dbraw/zinc/69/59/00/521695900.db2.gz	SLAGVSRCRVOUJS-HSZRJFAPSA-N	0	1	425.504	3.370	1	0	aggregator	IGAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CC=CCC2)C1	ZINC000003800875	562938241	/nfs/dbraw/zinc/93/82/41/562938241.db2.gz	NKZSMSGDVPNCJH-MRXNPFEDSA-N	0	1	426.344	3.077	1	0		IGAFMN
CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1	ZINC000003825355	562938880	/nfs/dbraw/zinc/93/88/80/562938880.db2.gz	OZYNWIFOAZCZEC-UHFFFAOYSA-N	0	1	437.588	3.196	1	0		IGAFMN
CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012026557	562980345	/nfs/dbraw/zinc/98/03/45/562980345.db2.gz	KQYKLQASQVGJEY-YADARESESA-N	0	1	439.512	3.032	1	0		IGAFMN
C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(F)cc32)C[C@H](C)N1	ZINC000013795940	563007267	/nfs/dbraw/zinc/00/72/67/563007267.db2.gz	GGWNZEZHVXZIET-OKILXGFUSA-N	0	1	429.496	3.089	1	0		IGAFMN
O=S(=O)([N-]c1ccc2[nH]cc(CC[NH+]3CCOCC3)c2c1)c1ccc2ccccc2n1	ZINC000028111992	563050829	/nfs/dbraw/zinc/05/08/29/563050829.db2.gz	PQKFQFVOESWCRV-UHFFFAOYSA-N	0	1	436.537	3.392	1	0		IGAFMN
CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccc2c(c1)ncn2Cc1ccccn1	ZINC000036330280	563092850	/nfs/dbraw/zinc/09/28/50/563092850.db2.gz	LWKXBZNNUAZNID-UHFFFAOYSA-N	0	1	443.579	3.380	1	0		IGAFMN
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(Cc2ccccc2)CCN1C	ZINC000045254684	563127117	/nfs/dbraw/zinc/12/71/17/563127117.db2.gz	OBMROJSOWJZLLA-CVDCTZTESA-N	0	1	427.556	3.432	1	0		IGAFMN
CN(C)CC(=O)N[C@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1	ZINC000063539771	563152393	/nfs/dbraw/zinc/15/23/93/563152393.db2.gz	RGOPHVZLEMGMBZ-UONOGXRCSA-N	0	1	427.940	3.074	1	0		IGAFMN
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)(C)C)ccn2)CC1	ZINC000064528364	563154863	/nfs/dbraw/zinc/15/48/63/563154863.db2.gz	VMNLOHRLVJTMIX-LEWJYISDSA-N	0	1	431.527	3.344	1	0		IGAFMN
Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	ZINC000084653653	563175040	/nfs/dbraw/zinc/17/50/40/563175040.db2.gz	NJOPZZLYRDEEQE-UHFFFAOYSA-N	0	1	443.507	3.291	1	0	in-vitro	IGAFMN
Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000011818776	562979363	/nfs/dbraw/zinc/97/93/63/562979363.db2.gz	AGNZLEKQHABLKD-OAHLLOKOSA-N	0	1	447.919	3.103	3	0		IGAFMN
COc1ccc(C(=O)N[C@@H]2CCCN(CCCOc3ccc4c(c3)OCO4)C2)cc1OC	ZINC000013558916	562993687	/nfs/dbraw/zinc/99/36/87/562993687.db2.gz	ZHSUNHFEAUHWFP-GOSISDBHSA-N	0	1	442.512	3.096	1	0		IGAFMN
O=C1CC2(CCCC2)C[C@@H](O)N1OCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013820862	563010068	/nfs/dbraw/zinc/01/00/68/563010068.db2.gz	BDMMVEQEGALIHG-HXUWFJFHSA-N	0	1	444.601	3.241	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCC(C)(C)C)CC1	ZINC000013822799	563010289	/nfs/dbraw/zinc/01/02/89/563010289.db2.gz	MYPFKLFJEKBBHF-UHFFFAOYSA-N	0	1	432.561	3.417	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)ccc1O	ZINC000026822066	563036978	/nfs/dbraw/zinc/03/69/78/563036978.db2.gz	GTHURDNXWAMVPK-NFBKMPQASA-N	0	1	426.538	3.371	1	0		IGAFMN
COc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1N1CCN(C)CC1	ZINC000026957464	563038254	/nfs/dbraw/zinc/03/82/54/563038254.db2.gz	MEOFAFSHVFKVBH-UHFFFAOYSA-N	0	1	437.588	3.418	1	0		IGAFMN
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1	ZINC000028866098	563067195	/nfs/dbraw/zinc/06/71/95/563067195.db2.gz	AEKRAVIJSVJVBT-UHFFFAOYSA-N	0	1	433.961	3.087	1	0		IGAFMN
COc1ccccc1O[C@H](c1cccc(I)c1)[C@H]1CNCCO1	ZINC000028881106	563067855	/nfs/dbraw/zinc/06/78/55/563067855.db2.gz	MGRHQJGGNQRJSA-QZTJIDSGSA-N	0	1	425.266	3.408	1	0		IGAFMN
CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O	ZINC000029128630	563075234	/nfs/dbraw/zinc/07/52/34/563075234.db2.gz	SVLHDHVYVKADRI-UHFFFAOYSA-N	0	1	444.538	3.285	1	0		IGAFMN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)N1CCC[C@@]21C(=O)OC	ZINC000036386517	563094540	/nfs/dbraw/zinc/09/45/40/563094540.db2.gz	HFCMPOPERBZZJR-HULNYRCFSA-N	0	1	436.483	3.176	3	0		IGAFMN
CN(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1	ZINC000063539769	563152363	/nfs/dbraw/zinc/15/23/63/563152363.db2.gz	RGOPHVZLEMGMBZ-ZIAGYGMSSA-N	0	1	427.940	3.074	1	0		IGAFMN
CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2ccccc2)CC1	ZINC000095562163	563182590	/nfs/dbraw/zinc/18/25/90/563182590.db2.gz	MBFLODNVCSXSKE-UHFFFAOYSA-N	0	1	448.386	3.388	1	0		IGAFMN
COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1	ZINC000095602908	563193320	/nfs/dbraw/zinc/19/33/20/563193320.db2.gz	AIZRLMRCMYABCS-UHFFFAOYSA-N	0	1	425.558	3.341	1	0		IGAFMN
COC(=O)c1cc(CNC(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O	ZINC000013672932	563000079	/nfs/dbraw/zinc/00/00/79/563000079.db2.gz	KTTFQKGSROOKOP-UHFFFAOYSA-N	0	1	447.557	3.142	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1	ZINC000013764462	563005546	/nfs/dbraw/zinc/00/55/46/563005546.db2.gz	YPJUOFYBENZLLE-UHFFFAOYSA-N	0	1	425.577	3.243	1	0		IGAFMN
C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)CCN1	ZINC000013796192	563007392	/nfs/dbraw/zinc/00/73/92/563007392.db2.gz	ADSIJCJEGGYQEI-CYBMUJFWSA-N	0	1	431.924	3.215	1	0		IGAFMN
CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000015937096	563019194	/nfs/dbraw/zinc/01/91/94/563019194.db2.gz	GDHJLWFFELBOHM-UHFFFAOYSA-N	0	1	434.496	3.001	3	0		IGAFMN
COc1cc2c(cc1OC)[C@H]1C[C@]3(CCN1CC2)C(=O)N(c1ccccc1)C(=O)N3C(C)=O	ZINC000017249030	563021828	/nfs/dbraw/zinc/02/18/28/563021828.db2.gz	JAYCKXDLLPVWKA-CJFMBICVSA-N	0	1	449.507	3.151	1	0		IGAFMN
COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1N1CCN(C)CC1	ZINC000026937661	563037883	/nfs/dbraw/zinc/03/78/83/563037883.db2.gz	KMAOXOFEECLHEO-UHFFFAOYSA-N	0	1	437.588	3.418	1	0		IGAFMN
COc1cc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC	ZINC000026939755	563037975	/nfs/dbraw/zinc/03/79/75/563037975.db2.gz	ZUKLQPSFXBGCBI-QGZVFWFLSA-N	0	1	443.452	3.107	1	0		IGAFMN
CCCCc1ncc(C=C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2nn[nH]n2)cc1	ZINC000036222410	563092227	/nfs/dbraw/zinc/09/22/27/563092227.db2.gz	SUPLNYPFGSYKOO-UYRXBGFRSA-N	0	1	448.531	3.147	1	0		IGAFMN
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2ccccc2nc2c1CCCC2	ZINC000040953071	563114191	/nfs/dbraw/zinc/11/41/91/563114191.db2.gz	RVXPRAJVEVRQIX-FQEVSTJZSA-N	0	1	441.535	3.220	1	0		IGAFMN
COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)cc(OC)c1OC	ZINC000045496101	563134398	/nfs/dbraw/zinc/13/43/98/563134398.db2.gz	ZTUGTPYWOVEFBG-KRWDZBQOSA-N	0	1	433.363	3.402	1	0		IGAFMN
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4ccccc4)cc[nH]c3=O)nc21	ZINC000063539560	563152339	/nfs/dbraw/zinc/15/23/39/563152339.db2.gz	WBQBMMMQJSJEJT-OAQYLSRUSA-N	0	1	445.523	3.209	1	0		IGAFMN
COc1cc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2cc1NC(=O)C1CC1	ZINC000072170892	563164953	/nfs/dbraw/zinc/16/49/53/563164953.db2.gz	HDLOOANOTTYYFN-PMERELPUSA-N	0	1	428.514	3.248	1	0		IGAFMN
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NC(=O)c1ccc(OC)cc1	ZINC000073225043	563171132	/nfs/dbraw/zinc/17/11/32/563171132.db2.gz	QBSZQEVMVGSPFZ-UHFFFAOYSA-N	0	1	431.832	3.417	1	0		IGAFMN
CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(C4CCCC4)[nH]c32)cc1	ZINC000073296733	563172157	/nfs/dbraw/zinc/17/21/57/563172157.db2.gz	OSGOEXDFPUYQTQ-UHFFFAOYSA-N	0	1	442.541	3.270	1	0		IGAFMN
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CNC3=S)c2)CC1	ZINC000000837585	132231385	/nfs/dbraw/zinc/23/13/85/132231385.db2.gz	FHAMXFSWEPGOOP-UHFFFAOYSA-N	0	1	438.597	3.013	1	0		IGAFMN
C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(F)cc32)C[C@H](C)N1C	ZINC000013795951	563007312	/nfs/dbraw/zinc/00/73/12/563007312.db2.gz	WPNMTAXEVMJVAQ-GASCZTMLSA-N	0	1	443.523	3.431	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)ccc1O	ZINC000026822056	563036897	/nfs/dbraw/zinc/03/68/97/563036897.db2.gz	GTHURDNXWAMVPK-NZQKXSOJSA-N	0	1	426.538	3.371	1	0		IGAFMN
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1)OCc1ccccc1	ZINC000029567711	563082700	/nfs/dbraw/zinc/08/27/00/563082700.db2.gz	JTDSRZGLMVOLMU-QFIPXVFZSA-N	0	1	431.496	3.087	1	0		IGAFMN
COc1cccc2c1CC[C@@H]1C[N@@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@@H]21	ZINC000034800976	563087319	/nfs/dbraw/zinc/08/73/19/563087319.db2.gz	WIRHRVAPDHCAEN-DNVCBOLYSA-N	0	1	430.508	3.254	1	0		IGAFMN
CCc1nc(N)nc(N(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000036349172	563093116	/nfs/dbraw/zinc/09/31/16/563093116.db2.gz	DLZDAXDOMHVHHV-UHFFFAOYSA-N	0	1	425.558	3.370	1	0		IGAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000072138307	563164276	/nfs/dbraw/zinc/16/42/76/563164276.db2.gz	RRCKIBSVEJRPCT-UHFFFAOYSA-N	0	1	447.366	3.152	1	0		IGAFMN
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2N2CC[C@@H]([NH+](C)C)C2)NC(=O)CC3)cc1C	ZINC000073223385	563170847	/nfs/dbraw/zinc/17/08/47/563170847.db2.gz	NFXGFWJXAFTFGK-LJQANCHMSA-N	0	1	442.585	3.129	1	0		IGAFMN
O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]2O)CC1	ZINC000084741084	563179096	/nfs/dbraw/zinc/17/90/96/563179096.db2.gz	WPXBLHLULZKGJW-FGZHOGPDSA-N	0	1	428.479	3.135	1	0		IGAFMN
O=C([O-])c1cn(C2CC2)c2cc(-n3cc(C[NH2+]Cc4ccccc4)nn3)c(F)cc2c1=O	ZINC000098081950	563200449	/nfs/dbraw/zinc/20/04/49/563200449.db2.gz	IPWYVPPLXIWGMX-UHFFFAOYSA-N	0	1	433.443	3.044	1	0		IGAFMN
S=C(NCc1ccccc1I)N1CCC(c2cnc[nH]2)CC1	ZINC000013808001	563008775	/nfs/dbraw/zinc/00/87/75/563008775.db2.gz	CBJFSWZYUGFYDG-UHFFFAOYSA-N	0	1	426.327	3.268	1	0		IGAFMN
CN(Cc1ccc2cc(Cl)ccc2n1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026962480	563038259	/nfs/dbraw/zinc/03/82/59/563038259.db2.gz	YHNQTLRSFJOOEO-LJQANCHMSA-N	0	1	449.960	3.131	1	0		IGAFMN
CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)[C@@H](N)CC(C)C)Cc1ccccc1)C(C)C	ZINC000029203305	563076316	/nfs/dbraw/zinc/07/63/16/563076316.db2.gz	QZUXJQWIIVGFJI-GPXNEJASSA-N	0	1	445.648	3.481	1	0		IGAFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5[nH]c(=O)[nH]c5c4)c3n2)CC1	ZINC000040394316	563100383	/nfs/dbraw/zinc/10/03/83/563100383.db2.gz	SAWILEAWPGPJKO-UHFFFAOYSA-N	0	1	428.418	3.237	1	0		IGAFMN
NS(=O)(=O)c1ccc(Cc2nc(-c3ccccn3)c(-c3ccc4nccnc4c3)[nH]2)cc1	ZINC000040404875	563101202	/nfs/dbraw/zinc/10/12/02/563101202.db2.gz	WFGRPLSXXZOQQY-UHFFFAOYSA-N	0	1	442.504	3.320	1	0		IGAFMN
Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)o1	ZINC000040919003	563112066	/nfs/dbraw/zinc/11/20/66/563112066.db2.gz	WBUBQGVRFHEWAC-FVJLSDCUSA-N	0	1	445.585	3.007	1	0		IGAFMN
Nc1nccc(-c2ccc3[nH]c([C@@H]4COc5c(CC(=O)NC6CC6)cccc5C4)nc3c2)n1	ZINC000049113084	563138510	/nfs/dbraw/zinc/13/85/10/563138510.db2.gz	QESAMTXGZKKXSR-KRWDZBQOSA-N	0	1	440.507	3.142	1	0		IGAFMN
CN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1	ZINC000066058829	563156859	/nfs/dbraw/zinc/15/68/59/563156859.db2.gz	HJAPICCHMZJHCP-UHFFFAOYSA-N	0	1	434.359	3.393	1	0		IGAFMN
O=C(NCc1ccccc1)[C@H](CCO)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000066066426	563157101	/nfs/dbraw/zinc/15/71/01/563157101.db2.gz	YPCXDDKHBOMGOH-SANMLTNESA-N	0	1	443.591	3.461	1	0		IGAFMN
O=C(Nc1cccc(OCCCC(=O)N2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2	ZINC000066259232	563160501	/nfs/dbraw/zinc/16/05/01/563160501.db2.gz	YWGKWAROKSZASK-UHFFFAOYSA-N	0	1	440.588	3.368	1	0		IGAFMN
CCn1cc(-c2nc3c(ncc(Cl)c3N3CCN(Cc4cc(C)on4)CC3)[nH]2)cn1	ZINC000095558408	563181805	/nfs/dbraw/zinc/18/18/05/563181805.db2.gz	YFCKHDARMWUHOO-UHFFFAOYSA-N	0	1	426.912	3.113	1	0		IGAFMN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C)cc1	ZINC000095587213	563189370	/nfs/dbraw/zinc/18/93/70/563189370.db2.gz	AQODXCHGIFZIIO-ZAAXVRCTSA-N	0	1	436.560	3.202	1	0		IGAFMN
COc1cc2oc(C)cc(O)c-2c(=O)c1Cc1c(O)c(C)c(O)c2c1C[C@@H](C)OC2=O	ZINC000013385317	291357736	/nfs/dbraw/zinc/35/77/36/291357736.db2.gz	UHMOSKKGJKWQDG-SECBINFHSA-N	0	1	426.421	3.227	1	0	biogenic,in-vitro	IGAFMN
COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@@H]21	ZINC000013807862	563008726	/nfs/dbraw/zinc/00/87/26/563008726.db2.gz	WIRHRVAPDHCAEN-HNAYVOBHSA-N	0	1	430.508	3.254	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC[C@@H](C)CC)CC1	ZINC000013822795	563010265	/nfs/dbraw/zinc/01/02/65/563010265.db2.gz	JQGXTRLSVKQMOV-IBGZPJMESA-N	0	1	432.561	3.417	1	0		IGAFMN
COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(Cc1ccccc1)CC2	ZINC000020997955	563025151	/nfs/dbraw/zinc/02/51/51/563025151.db2.gz	VJSAYTRJUCROJF-UHFFFAOYSA-N	0	1	436.483	3.411	1	0		IGAFMN
CN(C(=O)CNC(=O)[C@H](N)Cc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000027865843	563047545	/nfs/dbraw/zinc/04/75/45/563047545.db2.gz	VDKALJALMRQMMZ-OAQYLSRUSA-N	0	1	449.938	3.220	1	0		IGAFMN
CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21	ZINC000029560051	563082324	/nfs/dbraw/zinc/08/23/24/563082324.db2.gz	VMSWNFDFACGWJR-UHFFFAOYSA-N	0	1	433.556	3.241	1	0		IGAFMN
CC[C@@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1	ZINC000036386510	563094564	/nfs/dbraw/zinc/09/45/64/563094564.db2.gz	LSQCZRUKUQGAAE-REZAEPCHSA-N	0	1	430.570	3.261	3	0		IGAFMN
CNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1	ZINC000038157623	563096897	/nfs/dbraw/zinc/09/68/97/563096897.db2.gz	QGXMBSXNWDTFRF-UHFFFAOYSA-N	0	1	438.841	3.316	1	0		IGAFMN
O[C@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1N1CCN(c2ccccc2)CC1	ZINC000040564185	563104714	/nfs/dbraw/zinc/10/47/14/563104714.db2.gz	MLPKOPXBTFTBAZ-YADHBBJMSA-N	0	1	430.390	3.207	1	0		IGAFMN
Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000064527547	563154571	/nfs/dbraw/zinc/15/45/71/563154571.db2.gz	FTNDRAYELRWNAF-UHFFFAOYSA-N	0	1	442.504	3.866	1	0		IGAFMN
CC[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21	ZINC000066058775	563156915	/nfs/dbraw/zinc/15/69/15/563156915.db2.gz	ANUUSLSUVOFECW-AEFFLSMTSA-N	0	1	431.993	3.047	1	0		IGAFMN
Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)cc1-c1ccc(C(F)(F)F)nc1	ZINC000095576332	563185928	/nfs/dbraw/zinc/18/59/28/563185928.db2.gz	YKYRALGUUUMXIK-UHFFFAOYSA-N	0	1	427.430	3.457	1	0		IGAFMN
CCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc4c(C)[nH]nc4c(C)c3)CC1)C2	ZINC000096283398	563197190	/nfs/dbraw/zinc/19/71/90/563197190.db2.gz	KZVSHOSTAJTYOA-UHFFFAOYSA-N	0	1	448.571	3.482	1	0		IGAFMN
CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)CO3)CC1	ZINC000003931077	132268142	/nfs/dbraw/zinc/26/81/42/132268142.db2.gz	FAKWTGCDJRCHLT-INIZCTEOSA-N	0	1	435.446	3.071	1	0		IGAFMN
CCN1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000021098234	521692913	/nfs/dbraw/zinc/69/29/13/521692913.db2.gz	SLAGVSRCRVOUJS-QHCPKHFHSA-N	0	1	425.504	3.370	1	0	aggregator	IGAFMN
CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012026545	562980249	/nfs/dbraw/zinc/98/02/49/562980249.db2.gz	KQYKLQASQVGJEY-DVECYGJZSA-N	0	1	439.512	3.032	1	0		IGAFMN
Cc1ncoc1C(=O)N1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1	ZINC000012023257	562980306	/nfs/dbraw/zinc/98/03/06/562980306.db2.gz	HHXOBHJRDORLKT-UHFFFAOYSA-N	0	1	448.523	3.456	1	0		IGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3oc2=O)CC1	ZINC000013526213	562991676	/nfs/dbraw/zinc/99/16/76/562991676.db2.gz	UCVFOYIRJYVIDW-UHFFFAOYSA-N	0	1	435.524	3.134	1	0		IGAFMN
Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cnc(N4CCOCC4)s3)N3CCC[C@@]23C1=O	ZINC000013594053	562996566	/nfs/dbraw/zinc/99/65/66/562996566.db2.gz	DULSOXGHVXNIDA-SKPFHBQLSA-N	0	1	438.597	3.226	3	0		IGAFMN
COc1cccc(C(=O)NCCCCN2CCN(c3nsc4ccccc43)CC2)c1N	ZINC000013747191	563004160	/nfs/dbraw/zinc/00/41/60/563004160.db2.gz	MDAWBIVBCZPWJB-UHFFFAOYSA-N	0	1	439.585	3.219	1	0		IGAFMN
CN1CCN([C@H](CN2CCN(CCC(=O)c3ccccc3)CC2)c2ccc(F)cc2)CC1	ZINC000022928090	563026327	/nfs/dbraw/zinc/02/63/27/563026327.db2.gz	XJGAPXSPECFBHF-RUZDIDTESA-N	0	1	438.591	3.005	1	0		IGAFMN
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12	ZINC000026179579	563029646	/nfs/dbraw/zinc/02/96/46/563029646.db2.gz	FWJLNPNOFSXKMI-NOZRDPDXSA-N	0	1	444.620	3.427	1	0		IGAFMN
Cc1ccccc1N1CCN(C[C@H](O)c2ccc(O)c(C(=O)NCC(C)(C)C)c2)CC1	ZINC000027074485	563038993	/nfs/dbraw/zinc/03/89/93/563038993.db2.gz	MTCMWLZKYJYVBZ-QHCPKHFHSA-N	0	1	425.573	3.332	1	0		IGAFMN
C[C@@H](NC(=O)c1nc[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1	ZINC000036388099	563094682	/nfs/dbraw/zinc/09/46/82/563094682.db2.gz	NIADWPCRWUFGGP-OAHLLOKOSA-N	0	1	441.532	3.030	3	0		IGAFMN
Nc1nccc(-c2ccc3[nH]c([C@@H]4COc5ccc(C(=O)NC6CC6)cc5C4)nc3c2)n1	ZINC000040860508	563107985	/nfs/dbraw/zinc/10/79/85/563107985.db2.gz	VILQJQQODSKEFD-INIZCTEOSA-N	0	1	426.480	3.213	1	0		IGAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2ccccc2F)CC1	ZINC000040951056	563114011	/nfs/dbraw/zinc/11/40/11/563114011.db2.gz	LZVXNTDRSLVEJI-UHFFFAOYSA-N	0	1	449.910	3.121	1	0		IGAFMN
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(Cc2ccccc2)CCN1C	ZINC000045254689	563127156	/nfs/dbraw/zinc/12/71/56/563127156.db2.gz	OBMROJSOWJZLLA-AUSIDOKSSA-N	0	1	427.556	3.432	1	0		IGAFMN
O=C(CCCCO[N+](=O)[O-])OCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000049115807	563138757	/nfs/dbraw/zinc/13/87/57/563138757.db2.gz	PNBZBNLSOIJVIP-UHFFFAOYSA-N	0	1	429.381	3.424	1	0		IGAFMN
N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064539262	563154984	/nfs/dbraw/zinc/15/49/84/563154984.db2.gz	NGVSHWHRVJKJGY-GOSISDBHSA-N	0	1	430.339	3.155	1	0		IGAFMN
CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1	ZINC000066111626	563158829	/nfs/dbraw/zinc/15/88/29/563158829.db2.gz	WGDFOVYWTNOIKG-UHFFFAOYSA-N	0	1	442.579	3.433	1	0		IGAFMN
CCN1CCN(C[C@H](O)COc2ccc(F)cc2C(=O)CCc2ccc(F)cc2)CC1	ZINC000073161239	563169504	/nfs/dbraw/zinc/16/95/04/563169504.db2.gz	FPRBKWVBYRWHMW-NRFANRHFSA-N	0	1	432.511	3.158	1	0		IGAFMN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C)cc1	ZINC000095585956	563189088	/nfs/dbraw/zinc/18/90/88/563189088.db2.gz	KYHDRKVDXZQWIA-CVAIRZPRSA-N	0	1	436.560	3.202	1	0		IGAFMN
O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12	ZINC000096273328	563196863	/nfs/dbraw/zinc/19/68/63/563196863.db2.gz	RLWABUVFCFPHBN-UHFFFAOYSA-N	0	1	429.381	3.304	1	0		IGAFMN
Cc1[nH]nc2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N3)cc2C	ZINC000096283387	563197197	/nfs/dbraw/zinc/19/71/97/563197197.db2.gz	OKKCPHYWOXLRTH-UHFFFAOYSA-N	0	1	434.544	3.092	1	0		IGAFMN
Nc1cccc(F)c1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013747182	563004173	/nfs/dbraw/zinc/00/41/73/563004173.db2.gz	RCTGBBUBVFVGNR-UHFFFAOYSA-N	0	1	427.549	3.350	1	0		IGAFMN
N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(O)c1)C(c1ccccc1)c1ccccc1	ZINC000013779055	563006118	/nfs/dbraw/zinc/00/61/18/563006118.db2.gz	JSMLVEIFZKFEAG-UKILVPOCSA-N	0	1	443.547	3.159	1	0		IGAFMN
Cc1cc(CNC(=O)c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)n[nH]1	ZINC000028655395	563061347	/nfs/dbraw/zinc/06/13/47/563061347.db2.gz	RJZQNKSXPGPRCV-UHFFFAOYSA-N	0	1	426.908	3.139	1	0		IGAFMN
COc1ccc(C(c2ccc(OC)cc2)[S@@](=O)CC[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000028902789	563069103	/nfs/dbraw/zinc/06/91/03/563069103.db2.gz	DLBMGJDSMCTQQN-HZAQMHFWSA-N	0	1	431.554	3.339	1	0		IGAFMN
CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c-3n[nH]c2-c2cc(C)on2)C(=O)O1	ZINC000028949268	563069411	/nfs/dbraw/zinc/06/94/11/563069411.db2.gz	WCOKWWDNOXQPLF-HNNXBMFYSA-N	0	1	439.447	3.129	1	0		IGAFMN
CNC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccccc1OC	ZINC000052996298	563140940	/nfs/dbraw/zinc/14/09/40/563140940.db2.gz	VOVVVIRLWURODT-UHFFFAOYSA-N	0	1	447.543	3.084	1	0		IGAFMN
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000001542241	562922687	/nfs/dbraw/zinc/92/26/87/562922687.db2.gz	RJSZSZMMKYSISN-UHFFFAOYSA-N	0	1	442.585	3.449	1	0		IGAFMN
O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@H]1CN1CCN(c2nsc3ccccc32)CC1	ZINC000012356418	562981526	/nfs/dbraw/zinc/98/15/26/562981526.db2.gz	UGMOAPLNQIPTAB-IAGOWNOFSA-N	0	1	432.549	3.351	1	0		IGAFMN
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(CCO)CC4)cc3)ncc12	ZINC000013641533	562998456	/nfs/dbraw/zinc/99/84/56/562998456.db2.gz	ARWTTWBSMVHBPU-UHFFFAOYSA-N	0	1	448.571	3.073	1	0		IGAFMN
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C	ZINC000013657143	562999485	/nfs/dbraw/zinc/99/94/85/562999485.db2.gz	SMGGCGRBKDJWAW-WBVHZDCISA-N	0	1	428.533	3.387	3	0		IGAFMN
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@@H]1CN1CC[C@@H](O)C1	ZINC000013737728	563002648	/nfs/dbraw/zinc/00/26/48/563002648.db2.gz	FWOHZFVTZAFRGX-QRWLVFNGSA-N	0	1	435.351	3.434	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCCC(C)C)CC1	ZINC000013822797	563010240	/nfs/dbraw/zinc/01/02/40/563010240.db2.gz	DNDVMMSWAZUPOW-UHFFFAOYSA-N	0	1	432.561	3.417	1	0		IGAFMN
COc1ccc(-c2nc(CN3CCC(C(=O)NC[C@@H]4CCCO4)CC3)c(C)o2)cc1OC	ZINC000015944530	563020212	/nfs/dbraw/zinc/02/02/12/563020212.db2.gz	UZVPOEOFJKTXDC-IBGZPJMESA-N	0	1	443.544	3.174	3	0		IGAFMN
CSc1nc(N)cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1	ZINC000026833863	563037202	/nfs/dbraw/zinc/03/72/02/563037202.db2.gz	LULSKQMAZNSTDS-UHFFFAOYSA-N	0	1	428.537	3.173	1	0		IGAFMN
Cc1ccc(C(=O)[O-])cc1Nc1nc(N(C)CC(C)(C)C)nc(N2CCC[N@@H+](C)CC2)n1	ZINC000028637331	563059884	/nfs/dbraw/zinc/05/98/84/563059884.db2.gz	HWYJUFZHCVVPKA-UHFFFAOYSA-N	0	1	441.580	3.246	1	0		IGAFMN
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	ZINC000029125463	563074314	/nfs/dbraw/zinc/07/43/14/563074314.db2.gz	IYHSUCFGABYZMU-UHFFFAOYSA-N	0	1	426.941	3.131	1	0		IGAFMN
CNc1cccc(CCOc2cc(C[C@H](CC(=O)[O-])c3ccc4c(c3)OCO4)nn2C)[nH+]1	ZINC000036269279	563092377	/nfs/dbraw/zinc/09/23/77/563092377.db2.gz	VUDQMHAFTAQNOM-MRXNPFEDSA-N	0	1	438.484	3.008	1	0		IGAFMN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccccc2)CC1	ZINC000040950818	563113895	/nfs/dbraw/zinc/11/38/95/563113895.db2.gz	RADKAYOXSIZUCF-BJKOFHAPSA-N	0	1	439.600	3.301	1	0		IGAFMN
Cc1cc(NCCC(=O)NCCOc2ccccc2)nc(NCCOc2ccccc2)n1	ZINC000045322403	563130465	/nfs/dbraw/zinc/13/04/65/563130465.db2.gz	ZZQKOAPWPAWAIQ-UHFFFAOYSA-N	0	1	435.528	3.273	1	0		IGAFMN
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2nc3ccccc3s2)CC1	ZINC000053224072	563141301	/nfs/dbraw/zinc/14/13/01/563141301.db2.gz	VKCFJXPSFRUTDE-UHFFFAOYSA-N	0	1	442.585	3.449	1	0		IGAFMN
O=C(CC1CCN(Cc2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000058581659	563145081	/nfs/dbraw/zinc/14/50/81/563145081.db2.gz	HDKSPSRPMOVDBS-UHFFFAOYSA-N	0	1	433.556	3.190	1	0		IGAFMN
CC(C)S(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072101707	563162762	/nfs/dbraw/zinc/16/27/62/563162762.db2.gz	KKWWVKGXCSOSEJ-LJQANCHMSA-N	0	1	442.507	3.377	1	0		IGAFMN
O=C(CN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1	ZINC000073222881	563170806	/nfs/dbraw/zinc/17/08/06/563170806.db2.gz	LZTBBMYTELVXQM-FQEVSTJZSA-N	0	1	436.531	3.262	1	0		IGAFMN
C[C@H]1N[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000012466104	525012632	/nfs/dbraw/zinc/01/26/32/525012632.db2.gz	ZKLSTLYBTHUDFT-ONGGPIFUSA-N	0	1	437.499	3.226	1	0		IGAFMN
CCCCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F	ZINC000001644576	562923643	/nfs/dbraw/zinc/92/36/43/562923643.db2.gz	IPFXEXVXQZROPJ-UHFFFAOYSA-N	0	1	437.362	3.093	1	0		IGAFMN
Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1	ZINC000004111656	562942132	/nfs/dbraw/zinc/94/21/32/562942132.db2.gz	BXYBGEAXGCDRSR-UHFFFAOYSA-N	0	1	440.588	3.009	3	0		IGAFMN
O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@@H]1CN1CCN(c2nsc3ccccc32)CC1	ZINC000012356417	562981389	/nfs/dbraw/zinc/98/13/89/562981389.db2.gz	UGMOAPLNQIPTAB-SJORKVTESA-N	0	1	432.549	3.351	1	0		IGAFMN
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1	ZINC000020586792	563025075	/nfs/dbraw/zinc/02/50/75/563025075.db2.gz	CTIVVQXJCPHESZ-OAHLLOKOSA-N	0	1	431.539	3.493	1	0		IGAFMN
F[C@H](Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCN(CCc2ccccc2)CC1	ZINC000022930970	563026330	/nfs/dbraw/zinc/02/63/30/563026330.db2.gz	NYHNMZWAURXHEQ-JOCHJYFZSA-N	0	1	432.547	3.490	1	0		IGAFMN
CCOC(=O)CN1C(=O)N(CCCc2cnc[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21	ZINC000028571981	563059470	/nfs/dbraw/zinc/05/94/70/563059470.db2.gz	QHMLQIYABICDHY-DEOSSOPVSA-N	0	1	434.496	3.238	1	0		IGAFMN
COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(c43)C2=O)CC1	ZINC000045286346	563128330	/nfs/dbraw/zinc/12/83/30/563128330.db2.gz	FEUURGIRGWUEIP-UHFFFAOYSA-N	0	1	444.535	3.239	1	0		IGAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1	ZINC000049088084	563137981	/nfs/dbraw/zinc/13/79/81/563137981.db2.gz	RDTLVFVORPQDDQ-AREMUKBSSA-N	0	1	448.567	3.065	1	0		IGAFMN
CN1CCN(c2ccc(NC(=O)c3c(NCCc4ccccc4)cc[nH]c3=O)cc2)CC1	ZINC000059033221	563146083	/nfs/dbraw/zinc/14/60/83/563146083.db2.gz	FFISLEBJBDWQBI-UHFFFAOYSA-N	0	1	431.540	3.034	1	0		IGAFMN
COc1ccc2c(oc(NCC[NH+](C)C)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1[O-]	ZINC000072180363	563166865	/nfs/dbraw/zinc/16/68/65/563166865.db2.gz	KLMZGVQPCSGQON-UHFFFAOYSA-N	0	1	444.484	3.377	1	0		IGAFMN
CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000095558549	563181811	/nfs/dbraw/zinc/18/18/11/563181811.db2.gz	QYTJFOQJWICKHP-UHFFFAOYSA-N	0	1	448.386	3.388	1	0		IGAFMN
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cncs1	ZINC000096284446	563197305	/nfs/dbraw/zinc/19/73/05/563197305.db2.gz	FJSJFYVNNFBLQG-FQEVSTJZSA-N	0	1	431.521	3.233	1	0		IGAFMN
CCC(CC)C[NH+]1CCN(C(=O)CCCOc2ccc3[nH]c4nc(=O)[n-]c-4cc3c2)CC1	ZINC000013725833	563001345	/nfs/dbraw/zinc/00/13/45/563001345.db2.gz	YUSBOZBDPVTFGR-UHFFFAOYSA-N	0	1	439.560	3.144	1	0		IGAFMN
F[C@@H](Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCN(CCc2ccccc2)CC1	ZINC000022930973	563026315	/nfs/dbraw/zinc/02/63/15/563026315.db2.gz	NYHNMZWAURXHEQ-QFIPXVFZSA-N	0	1	432.547	3.490	1	0		IGAFMN
COc1cccc2c1CC[C@@H]1C[N@@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@H]21	ZINC000034800975	563087341	/nfs/dbraw/zinc/08/73/41/563087341.db2.gz	WIRHRVAPDHCAEN-BEFAXECRSA-N	0	1	430.508	3.254	1	0		IGAFMN
COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3cccc(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12	ZINC000036386526	563094537	/nfs/dbraw/zinc/09/45/37/563094537.db2.gz	YVBVKNMVGHAJND-KTIHBUSBSA-N	0	1	438.911	3.300	3	0		IGAFMN
CNC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(OC)c1	ZINC000052996172	563140925	/nfs/dbraw/zinc/14/09/25/563140925.db2.gz	WKDXQWFKPDCWJB-UHFFFAOYSA-N	0	1	447.543	3.084	1	0		IGAFMN
Cc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	ZINC000084652173	563174924	/nfs/dbraw/zinc/17/49/24/563174924.db2.gz	QANOYHPJGUQUJD-UHFFFAOYSA-N	0	1	431.540	3.185	1	0		IGAFMN
CN1CCN(c2nc3ccccc3c([C@@H]3C(=O)NC(=O)[C@@H]3c3c[nH]c4ccccc43)n2)CC1	ZINC000095566527	563183588	/nfs/dbraw/zinc/18/35/88/563183588.db2.gz	QYMDWEPIJODSDN-NHCUHLMSSA-N	0	1	440.507	3.227	1	0		IGAFMN
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc21	ZINC000095573428	563185076	/nfs/dbraw/zinc/18/50/76/563185076.db2.gz	GAJBSPCTRUBDAK-PCCBWWKXSA-N	0	1	429.948	3.179	1	0		IGAFMN
COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000095598598	563192117	/nfs/dbraw/zinc/19/21/17/563192117.db2.gz	PHQGAKCIPHIVJI-IYBDPMFKSA-N	0	1	442.541	3.338	1	0		IGAFMN
C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)C2=O	ZINC000012470320	525512946	/nfs/dbraw/zinc/51/29/46/525512946.db2.gz	RNIRNQSBSOEUSI-HOOSLVGPSA-N	0	1	444.576	3.060	1	0		IGAFMN
Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nc(-c3cccnc3)no2)CC1	ZINC000009405785	562970188	/nfs/dbraw/zinc/97/01/88/562970188.db2.gz	JRNYWTZSKVGDDQ-UHFFFAOYSA-N	0	1	440.935	3.036	1	0		IGAFMN
CC[C@@H]1CN2CC[C@]3(OC)c4c(cccc4OC)N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	ZINC000013473312	562988257	/nfs/dbraw/zinc/98/82/57/562988257.db2.gz	HDYBGDSGVPXPCV-WXRNRAEGSA-N	0	1	428.529	3.447	1	0		IGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1	ZINC000013526341	562991692	/nfs/dbraw/zinc/99/16/92/562991692.db2.gz	YVJKQMXANLEZJO-PKNBQFBNSA-N	0	1	437.540	3.156	1	0		IGAFMN
CC[S@@](=O)CC[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746886	563004098	/nfs/dbraw/zinc/00/40/98/563004098.db2.gz	QEYLNCFKHHSXKD-FYFNNQQJSA-N	0	1	445.537	3.034	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000013802823	563008067	/nfs/dbraw/zinc/00/80/67/563008067.db2.gz	HTZQCKIHMRMSJH-UHFFFAOYSA-N	0	1	426.605	3.475	1	0		IGAFMN
S=C(NCc1ccc(I)cc1)N1CCC(c2cnc[nH]2)CC1	ZINC000013808005	563008696	/nfs/dbraw/zinc/00/86/96/563008696.db2.gz	DZBSGIZPIZEWAW-UHFFFAOYSA-N	0	1	426.327	3.268	1	0		IGAFMN
CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CC[NH2+]CC3)nc2c(=O)[n-]1	ZINC000014955600	563015853	/nfs/dbraw/zinc/01/58/53/563015853.db2.gz	QATFVPYCJZQNKE-UHFFFAOYSA-N	0	1	438.532	3.462	1	0		IGAFMN
CN(Cc1ccc2cc(Cl)ccc2n1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026962490	563038317	/nfs/dbraw/zinc/03/83/17/563038317.db2.gz	YHNQTLRSFJOOEO-IBGZPJMESA-N	0	1	449.960	3.131	1	0		IGAFMN
CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1	ZINC000036126728	563091173	/nfs/dbraw/zinc/09/11/73/563091173.db2.gz	AXOYDNAEBFRXFX-UHFFFAOYSA-N	0	1	437.471	3.285	1	0		IGAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CC(C)(C)C)CC1	ZINC000040412098	563101904	/nfs/dbraw/zinc/10/19/04/563101904.db2.gz	MLRCLAJNJZBPHO-UHFFFAOYSA-N	0	1	439.984	3.352	1	0		IGAFMN
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1	ZINC000072122654	563163924	/nfs/dbraw/zinc/16/39/24/563163924.db2.gz	LDQVLKOHPKFODX-UHFFFAOYSA-N	0	1	448.506	3.135	1	0		IGAFMN
COc1cc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2cc1NC(=O)C1CC1	ZINC000072170893	563164948	/nfs/dbraw/zinc/16/49/48/563164948.db2.gz	HDLOOANOTTYYFN-SSEXGKCCSA-N	0	1	428.514	3.248	1	0		IGAFMN
COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1	ZINC000072172349	563165136	/nfs/dbraw/zinc/16/51/36/563165136.db2.gz	NBBAMPGWOJEMGG-UHFFFAOYSA-N	0	1	435.568	3.314	1	0		IGAFMN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2O)cc1	ZINC000084690985	563176469	/nfs/dbraw/zinc/17/64/69/563176469.db2.gz	DICWUQOEMHNJMD-UHFFFAOYSA-N	0	1	425.388	3.230	1	0		IGAFMN
CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1	ZINC000095573408	563185005	/nfs/dbraw/zinc/18/50/05/563185005.db2.gz	OXUOUFYCNLPKRL-HTAPYJJXSA-N	0	1	433.549	3.302	1	0		IGAFMN
CC(C)n1nc(C(=O)NC2CCN(CCNC(=O)c3ccccc3)CC2)c2ccccc21	ZINC000003940819	562939623	/nfs/dbraw/zinc/93/96/23/562939623.db2.gz	BJYHYOYVIPQANQ-UHFFFAOYSA-N	0	1	433.556	3.241	1	0		IGAFMN
Cc1ccc2c(c1)N(C(=O)N1C[C@H](C)N[C@@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2	ZINC000013796015	563007347	/nfs/dbraw/zinc/00/73/47/563007347.db2.gz	VJJWDQAWGHONBZ-HOTGVXAUSA-N	0	1	425.533	3.258	1	0		IGAFMN
Cc1cccc2c1N(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2	ZINC000013796032	563007400	/nfs/dbraw/zinc/00/74/00/563007400.db2.gz	DOQMHNQYZUWGOY-IYBDPMFKSA-N	0	1	425.533	3.258	1	0		IGAFMN
C[C@H]1CN(C)C[C@H](C)N1C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(F)cc21	ZINC000013796179	563007415	/nfs/dbraw/zinc/00/74/15/563007415.db2.gz	NKHBDYWVSJQWHJ-GJZGRUSLSA-N	0	1	443.523	3.431	1	0		IGAFMN
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)nc(C)nc2C)c1Cl	ZINC000013801662	563007896	/nfs/dbraw/zinc/00/78/96/563007896.db2.gz	QJBYQUFPDVTSCC-UHFFFAOYSA-N	0	1	441.922	3.466	1	0		IGAFMN
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@H](c1ccccc1)O2	ZINC000014966293	563016412	/nfs/dbraw/zinc/01/64/12/563016412.db2.gz	BBUAFKOJRUKNLF-OAQYLSRUSA-N	0	1	433.512	3.374	1	0		IGAFMN
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1	ZINC000020586795	563025078	/nfs/dbraw/zinc/02/50/78/563025078.db2.gz	CTIVVQXJCPHESZ-HNNXBMFYSA-N	0	1	431.539	3.493	1	0		IGAFMN
COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2	ZINC000026739292	563036279	/nfs/dbraw/zinc/03/62/79/563036279.db2.gz	QBFJWYVQWOPOQH-UHFFFAOYSA-N	0	1	444.553	3.109	1	0		IGAFMN
C[N@H+]1CCC[C@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4-c3ccc(O)cc3)C[C@@H]21	ZINC000028457712	563054813	/nfs/dbraw/zinc/05/48/13/563054813.db2.gz	JBUVEDXBSJTVCV-FPTDNZKUSA-N	0	1	437.471	3.064	1	0		IGAFMN
COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1	ZINC000028526326	563056839	/nfs/dbraw/zinc/05/68/39/563056839.db2.gz	OHBRURMYVYWCLY-UHFFFAOYSA-N	0	1	443.979	3.455	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCc3cccc(OC)c32)CC1	ZINC000028762833	563063900	/nfs/dbraw/zinc/06/39/00/563063900.db2.gz	FQRDAWJJGHRRCG-OAQYLSRUSA-N	0	1	437.584	3.452	1	0		IGAFMN
CNc1cccc(CCOc2cc(C[C@@H](CC(=O)[O-])c3ccc4c(c3)OCO4)nn2C)[nH+]1	ZINC000036269276	563092370	/nfs/dbraw/zinc/09/23/70/563092370.db2.gz	VUDQMHAFTAQNOM-INIZCTEOSA-N	0	1	438.484	3.008	1	0		IGAFMN
COc1ccc([C@@H](CC(=O)[O-])Cc2cc(OCCc3ccc4c([nH+]3)NCCC4)no2)cn1	ZINC000036269253	563092381	/nfs/dbraw/zinc/09/23/81/563092381.db2.gz	QHSKOAKVMQHGPS-QGZVFWFLSA-N	0	1	438.484	3.254	1	0		IGAFMN
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2c(ncn2C)c(Br)c1	ZINC000036330271	563092829	/nfs/dbraw/zinc/09/28/29/563092829.db2.gz	AWOWNLLJMYZBNK-UHFFFAOYSA-N	0	1	445.389	3.236	1	0		IGAFMN
O=C1OCC2=C1[C@@H](c1cc3c(c(Br)c1)OCO3)c1cc3c(cc1N2)OCO3	ZINC000040914555	563111277	/nfs/dbraw/zinc/11/12/77/563111277.db2.gz	UPOXERRCRSYHGT-INIZCTEOSA-N	0	1	430.210	3.275	1	0		IGAFMN
Cn1nc(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c2ccccc2c1=O	ZINC000045334670	563131194	/nfs/dbraw/zinc/13/11/94/563131194.db2.gz	BAPSTKNDISTPAS-UHFFFAOYSA-N	0	1	427.508	3.267	1	0		IGAFMN
O=C(CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1	ZINC000073222879	563170767	/nfs/dbraw/zinc/17/07/67/563170767.db2.gz	LZTBBMYTELVXQM-HXUWFJFHSA-N	0	1	436.531	3.262	1	0		IGAFMN
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)C[C@H]2O	ZINC000084635141	563174800	/nfs/dbraw/zinc/17/48/00/563174800.db2.gz	HUYVGSBPTQXJBS-ZIAGYGMSSA-N	0	1	427.375	3.242	1	0		IGAFMN
C[NH+](C)CC(=O)N1CCCC[N@H+]2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1	ZINC000095877036	563194826	/nfs/dbraw/zinc/19/48/26/563194826.db2.gz	ZAHXKZOKOUSJMC-AGVMNQFGSA-N	0	1	433.596	3.170	1	0		IGAFMN
COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1	ZINC000001324424	562921210	/nfs/dbraw/zinc/92/12/10/562921210.db2.gz	RYHSAXRBHDHPPK-UHFFFAOYSA-N	0	1	432.454	3.359	3	0		IGAFMN
CNC(=O)NCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc21	ZINC000003928208	562939375	/nfs/dbraw/zinc/93/93/75/562939375.db2.gz	BCPXMMCKKHHZAM-NRFANRHFSA-N	0	1	432.524	3.353	1	0		IGAFMN
O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1csc(Cl)c1)NN1CCOCC1	ZINC000012355146	562981327	/nfs/dbraw/zinc/98/13/27/562981327.db2.gz	KXZVTRPKQGFPGX-UHFFFAOYSA-N	0	1	429.889	3.372	1	0		IGAFMN
CN1CCN([C@@H](CN2CCN(CCC(=O)c3ccccc3)CC2)c2ccc(F)cc2)CC1	ZINC000022928087	563026269	/nfs/dbraw/zinc/02/62/69/563026269.db2.gz	XJGAPXSPECFBHF-VWLOTQADSA-N	0	1	438.591	3.005	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)ccc1O	ZINC000026819687	563036777	/nfs/dbraw/zinc/03/67/77/563036777.db2.gz	SAOLMWVZETVVJP-DEOSSOPVSA-N	0	1	440.565	3.241	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cnc3ccccc32)CC1	ZINC000027984581	563048775	/nfs/dbraw/zinc/04/87/75/563048775.db2.gz	OKEMDJJYISFOKH-UHFFFAOYSA-N	0	1	434.540	3.487	1	0		IGAFMN
COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1	ZINC000028525880	563056888	/nfs/dbraw/zinc/05/68/88/563056888.db2.gz	OGWAJJGAXANYMJ-UHFFFAOYSA-N	0	1	443.979	3.455	1	0		IGAFMN
COc1ccccc1O[C@H](c1cccc(I)c1)[C@@H]1CNCCO1	ZINC000028881094	563067836	/nfs/dbraw/zinc/06/78/36/563067836.db2.gz	MGRHQJGGNQRJSA-ZWKOTPCHSA-N	0	1	425.266	3.408	1	0		IGAFMN
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCCCCCC(=O)[O-])c1Br	ZINC000029205862	563076409	/nfs/dbraw/zinc/07/64/09/563076409.db2.gz	XFOPYVPSJIAXSQ-UHFFFAOYSA-N	0	1	439.310	3.027	1	0		IGAFMN
NCC(=O)NCc1nnc(C2CC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl	ZINC000029250635	563077296	/nfs/dbraw/zinc/07/72/96/563077296.db2.gz	NTJYWGWJTUZEHP-UHFFFAOYSA-N	0	1	444.322	3.257	1	0		IGAFMN
C[C@](N)(CO)C(=O)Nc1ccc(S(=O)(=O)CCc2ccc(-c3ccccc3)cc2)cc1	ZINC000035984503	563090626	/nfs/dbraw/zinc/09/06/26/563090626.db2.gz	ACANNNXTROWTAO-DEOSSOPVSA-N	0	1	438.549	3.018	1	0		IGAFMN
CCCn1c2nc(C)nc(N3CCN(CCn4ccnc4)CC3)c2nc1-c1ccc(F)cc1	ZINC000036384596	563094366	/nfs/dbraw/zinc/09/43/66/563094366.db2.gz	AFJLUOMRJGCNEK-UHFFFAOYSA-N	0	1	448.550	3.370	1	0		IGAFMN
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnoc4)cc3)c(F)c2)C(=O)O1	ZINC000040847212	563107576	/nfs/dbraw/zinc/10/75/76/563107576.db2.gz	BBMOCQHQSQDMFI-FQEVSTJZSA-N	0	1	438.459	3.232	1	0		IGAFMN
O=S(=O)([N-]c1ccccc1)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2)cc1	ZINC000043022526	563117278	/nfs/dbraw/zinc/11/72/78/563117278.db2.gz	QNCUCYDBAFMEDO-OAQYLSRUSA-N	0	1	426.538	3.059	1	0		IGAFMN
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccc(=O)[nH]c1	ZINC000064513751	563154196	/nfs/dbraw/zinc/15/41/96/563154196.db2.gz	DWPCFWJQVCOJTJ-UHFFFAOYSA-N	0	1	444.510	3.403	1	0		IGAFMN
CN(C)CCNC(=O)c1cc2c3cc(O)ccc3[nH]c2c(C(=O)c2c[nH]c3ccccc23)n1	ZINC000073139519	563168901	/nfs/dbraw/zinc/16/89/01/563168901.db2.gz	LTTKCZAWCRYCHE-UHFFFAOYSA-N	0	1	441.491	3.425	1	0		IGAFMN
COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(F)cc4)CC[C@H]3O)CC2)cc1	ZINC000084687646	563175782	/nfs/dbraw/zinc/17/57/82/563175782.db2.gz	ZATWTNTWCDXHLU-DHIUTWEWSA-N	0	1	440.515	3.005	1	0		IGAFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5cccnn54)c3c2)CC1	ZINC000095562785	563182770	/nfs/dbraw/zinc/18/27/70/563182770.db2.gz	NPINDPNOIZAEHY-UHFFFAOYSA-N	0	1	442.449	3.055	1	0		IGAFMN
C[C@H](NC(=O)[C@@H](CSC(=O)O)Cc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1	ZINC000027076982	563039024	/nfs/dbraw/zinc/03/90/24/563039024.db2.gz	PMAMHXNBDDBSRQ-WMLDXEAASA-N	0	1	445.493	3.233	1	0		IGAFMN
O=C(NCc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1	ZINC000028523883	563056346	/nfs/dbraw/zinc/05/63/46/563056346.db2.gz	SXGBEPFLZNFYPU-WOJBJXKFSA-N	0	1	429.362	3.349	1	0		IGAFMN
COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@H]21	ZINC000029345951	563078645	/nfs/dbraw/zinc/07/86/45/563078645.db2.gz	WIRHRVAPDHCAEN-KXBFYZLASA-N	0	1	430.508	3.254	1	0		IGAFMN
Cn1c(=O)nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21	ZINC000036126679	563091118	/nfs/dbraw/zinc/09/11/18/563091118.db2.gz	HLRRHIITKGDLDO-UHFFFAOYSA-N	0	1	426.904	3.392	1	0		IGAFMN
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@H]1CN1CC[C@H](O)C1	ZINC000036221137	563092115	/nfs/dbraw/zinc/09/21/15/563092115.db2.gz	FWOHZFVTZAFRGX-MGPUTAFESA-N	0	1	435.351	3.434	1	0		IGAFMN
O[C@H]1CCN(Cc2ccccc2Br)C[C@@H]1N1CCN(c2ccccc2)CC1	ZINC000038156629	563096801	/nfs/dbraw/zinc/09/68/01/563096801.db2.gz	NXSBLNXROUIMTM-VXKWHMMOSA-N	0	1	430.390	3.207	1	0		IGAFMN
CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5F)cnn4c3)cc2)CC1	ZINC000040395586	563100801	/nfs/dbraw/zinc/10/08/01/563100801.db2.gz	NZQQJFKFNKHJRT-UHFFFAOYSA-N	0	1	432.503	3.224	1	0		IGAFMN
C[C@]1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O	ZINC000049116148	563138748	/nfs/dbraw/zinc/13/87/48/563138748.db2.gz	KYCKSTNLWKOHQH-HSZRJFAPSA-N	0	1	426.948	3.319	1	0		IGAFMN
C[C@@]1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O	ZINC000049116144	563138767	/nfs/dbraw/zinc/13/87/67/563138767.db2.gz	KYCKSTNLWKOHQH-QHCPKHFHSA-N	0	1	426.948	3.319	1	0		IGAFMN
CC(C)S(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072101706	563162699	/nfs/dbraw/zinc/16/26/99/563162699.db2.gz	KKWWVKGXCSOSEJ-IBGZPJMESA-N	0	1	442.507	3.377	1	0		IGAFMN
O=C(NCCN1CCC(C(=O)NCCc2ccccn2)CC1)c1ccc2ccccc2c1	ZINC000072141673	563164724	/nfs/dbraw/zinc/16/47/24/563164724.db2.gz	YAEGUNOFXRRUIP-UHFFFAOYSA-N	0	1	430.552	3.036	1	0		IGAFMN
COc1cc(Nc2nccc(-c3ccc(N4CCN(C)CC4)nc3)n2)cc(OC)c1OC	ZINC000003828776	562938962	/nfs/dbraw/zinc/93/89/62/562938962.db2.gz	DZXCKZAXROLRCF-UHFFFAOYSA-N	0	1	436.516	3.060	1	0		IGAFMN
Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000011818777	562979428	/nfs/dbraw/zinc/97/94/28/562979428.db2.gz	AGNZLEKQHABLKD-HNNXBMFYSA-N	0	1	447.919	3.103	3	0		IGAFMN
O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@H]1CN1CCN(c2nsc3ccccc32)CC1	ZINC000012356419	562981515	/nfs/dbraw/zinc/98/15/15/562981515.db2.gz	UGMOAPLNQIPTAB-IRXDYDNUSA-N	0	1	432.549	3.351	1	0		IGAFMN
O=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1	ZINC000013475446	562988874	/nfs/dbraw/zinc/98/88/74/562988874.db2.gz	UAKCDLRPPIWZSK-UHFFFAOYSA-N	0	1	426.952	3.075	1	0		IGAFMN
CN1CCN(c2nc(NCCCc3ccccc3)nc(NCCc3cccc(O)c3)n2)CC1	ZINC000013492549	562990655	/nfs/dbraw/zinc/99/06/55/562990655.db2.gz	RMGNQWLXBVDWTQ-UHFFFAOYSA-N	0	1	447.587	3.028	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNC(=O)[C@H]2CCCc3c(OC)cccc32)CC1	ZINC000013757322	563004582	/nfs/dbraw/zinc/00/45/82/563004582.db2.gz	LTLCYGQKNCSZNO-QFIPXVFZSA-N	0	1	437.584	3.452	1	0		IGAFMN
C[C@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)CCN1	ZINC000013796195	563007358	/nfs/dbraw/zinc/00/73/58/563007358.db2.gz	ADSIJCJEGGYQEI-ZDUSSCGKSA-N	0	1	431.924	3.215	1	0		IGAFMN
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1	ZINC000013806209	563008526	/nfs/dbraw/zinc/00/85/26/563008526.db2.gz	NOZFNNNSDDCCDK-UHFFFAOYSA-N	0	1	425.508	3.432	1	0		IGAFMN
Cc1ccc2c(cccc2OCCN2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000022933643	563026319	/nfs/dbraw/zinc/02/63/19/563026319.db2.gz	JXYPPXBLBAOPFD-UHFFFAOYSA-N	0	1	432.524	3.071	1	0		IGAFMN
N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(O)c1)C(c1ccccc1)c1ccccc1	ZINC000025967982	563027774	/nfs/dbraw/zinc/02/77/74/563027774.db2.gz	JSMLVEIFZKFEAG-ZCYQVOJMSA-N	0	1	443.547	3.159	1	0		IGAFMN
CN(C(=O)CNC(=O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000027865836	563047580	/nfs/dbraw/zinc/04/75/80/563047580.db2.gz	VDKALJALMRQMMZ-NRFANRHFSA-N	0	1	449.938	3.220	1	0		IGAFMN
COc1cc(C(=O)N(C)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1C	ZINC000028462894	563055188	/nfs/dbraw/zinc/05/51/88/563055188.db2.gz	KLOHCIQHDRBKEE-UHFFFAOYSA-N	0	1	426.513	3.478	1	0		IGAFMN
CC(C)CCn1c(Cn2c3ccccc3n(CCCc3nn[nH]n3)c2=O)nc2ccccc21	ZINC000028569862	563059047	/nfs/dbraw/zinc/05/90/47/563059047.db2.gz	AJHFVSKGKOJDQT-UHFFFAOYSA-N	0	1	444.543	3.393	1	0		IGAFMN
COc1ccccc1CCNc1nc(C)cc(NCCC(=O)NCCOc2ccccc2)n1	ZINC000045303224	563129678	/nfs/dbraw/zinc/12/96/78/563129678.db2.gz	VBDOIJPLNIXOQL-UHFFFAOYSA-N	0	1	449.555	3.445	1	0		IGAFMN
COc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1	ZINC000084731135	563178516	/nfs/dbraw/zinc/17/85/16/563178516.db2.gz	ZFFNTXXPZGMRNK-DHIUTWEWSA-N	0	1	440.515	3.005	1	0		IGAFMN
Cc1cccc(Oc2cc(C[N@H+]3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2C(=O)[O-])c1	ZINC000095579191	563186953	/nfs/dbraw/zinc/18/69/53/563186953.db2.gz	DIHBKEBFLYESNZ-IBGZPJMESA-N	0	1	449.507	3.481	1	0		IGAFMN
Cc1cc(-c2[nH]nc3c2C(=O)c2c-3cccc2NC(=O)NN2CCN(C)CC2)c(C)s1	ZINC000013588758	562996086	/nfs/dbraw/zinc/99/60/86/562996086.db2.gz	OVOCLWYGFNGBTQ-UHFFFAOYSA-N	0	1	436.541	3.250	1	0		IGAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CC=CCC2)C1	ZINC000013832135	563011379	/nfs/dbraw/zinc/01/13/79/563011379.db2.gz	NKZSMSGDVPNCJH-INIZCTEOSA-N	0	1	426.344	3.077	1	0		IGAFMN
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1	ZINC000013835854	563012194	/nfs/dbraw/zinc/01/21/94/563012194.db2.gz	YPRMCONKNHLNEC-KOSHJBKYSA-N	0	1	444.526	3.068	1	0		IGAFMN
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@H](c1ccccc1)O2	ZINC000014966289	563016349	/nfs/dbraw/zinc/01/63/49/563016349.db2.gz	BBUAFKOJRUKNLF-NRFANRHFSA-N	0	1	433.512	3.374	1	0		IGAFMN
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1	ZINC000015953072	563020401	/nfs/dbraw/zinc/02/04/01/563020401.db2.gz	FBBKSODBIBNBSX-FQEVSTJZSA-N	0	1	448.523	3.228	3	0		IGAFMN
Cc1ccccc1N1CCN(C[C@@H](O)c2ccc(O)c(C(=O)NCC(C)(C)C)c2)CC1	ZINC000027074477	563038951	/nfs/dbraw/zinc/03/89/51/563038951.db2.gz	MTCMWLZKYJYVBZ-HSZRJFAPSA-N	0	1	425.573	3.332	1	0		IGAFMN
CCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1	ZINC000029417289	563080119	/nfs/dbraw/zinc/08/01/19/563080119.db2.gz	APSYNTMUNMRDPK-FQEVSTJZSA-N	0	1	440.496	3.123	1	0		IGAFMN
O=C(NC1CCN(Cc2ccc3ccc(=O)[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1	ZINC000034642894	563086779	/nfs/dbraw/zinc/08/67/79/563086779.db2.gz	ZLKBWMPLNFUMFD-UHFFFAOYSA-N	0	1	447.466	3.168	1	0		IGAFMN
CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1	ZINC000036382322	563093960	/nfs/dbraw/zinc/09/39/60/563093960.db2.gz	CQOJNXOOUWTHEA-ZQAYVECASA-N	0	1	430.570	3.262	3	0		IGAFMN
OC[C@@H](O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1	ZINC000040861807	563108211	/nfs/dbraw/zinc/10/82/11/563108211.db2.gz	HQVRTEVEFWPWCH-GOSISDBHSA-N	0	1	444.532	3.314	1	0		IGAFMN
C[N@H+]1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3-c1ccc(F)cc1)C2	ZINC000013650299	562999100	/nfs/dbraw/zinc/99/91/00/562999100.db2.gz	PZVYAIIEIVMFHO-IYBDPMFKSA-N	0	1	425.435	3.250	1	0		IGAFMN
C[N@@H+]1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3-c1ccc(F)cc1)C2	ZINC000013650299	562999102	/nfs/dbraw/zinc/99/91/02/562999102.db2.gz	PZVYAIIEIVMFHO-IYBDPMFKSA-N	0	1	425.435	3.250	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCc3c(OC)cccc32)CC1	ZINC000013757324	563004553	/nfs/dbraw/zinc/00/45/53/563004553.db2.gz	LTLCYGQKNCSZNO-JOCHJYFZSA-N	0	1	437.584	3.452	1	0		IGAFMN
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1	ZINC000015953058	563020397	/nfs/dbraw/zinc/02/03/97/563020397.db2.gz	MGNYKGQOHCNHDT-IBGZPJMESA-N	0	1	448.523	3.023	3	0		IGAFMN
COc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br	ZINC000026482548	563032358	/nfs/dbraw/zinc/03/23/58/563032358.db2.gz	ZLOHPGJKHJCBHZ-UHFFFAOYSA-N	0	1	426.086	3.317	1	0		IGAFMN
C[N@H+]1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4-c3ccc(O)cc3)C[C@@H]21	ZINC000028457710	563054829	/nfs/dbraw/zinc/05/48/29/563054829.db2.gz	JBUVEDXBSJTVCV-PEBXRYMYSA-N	0	1	437.471	3.064	1	0		IGAFMN
COc1ccccc1O[C@@H](c1cccc(I)c1)[C@H]1CNCCO1	ZINC000028881111	563067862	/nfs/dbraw/zinc/06/78/62/563067862.db2.gz	MGRHQJGGNQRJSA-MSOLQXFVSA-N	0	1	425.266	3.408	1	0		IGAFMN
N[C@H](C(=O)N1CCC(Nc2ccc3n[nH]cc3c2)CC1)c1ccc(Br)cc1	ZINC000028891749	563068360	/nfs/dbraw/zinc/06/83/60/563068360.db2.gz	LBKUIYUPKQWTEX-IBGZPJMESA-N	0	1	428.334	3.428	1	0		IGAFMN
Cc1ccc2c(cccc2OCCN2CCN(Cc3ccc4c(c3)N(C)C(=O)CO4)CC2)n1	ZINC000028954158	563070034	/nfs/dbraw/zinc/07/00/34/563070034.db2.gz	UDXAWWYJIGJLRA-UHFFFAOYSA-N	0	1	446.551	3.095	1	0		IGAFMN
CC(C)CCNC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](N)CC(C)C)Cc1ccccc1)C(C)C	ZINC000029203387	563076306	/nfs/dbraw/zinc/07/63/06/563076306.db2.gz	QZUXJQWIIVGFJI-FIXSFTCYSA-N	0	1	445.648	3.481	1	0		IGAFMN
Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1	ZINC000036216196	563091988	/nfs/dbraw/zinc/09/19/88/563091988.db2.gz	ORFHSHFAWAJFLG-GMAHTHKFSA-N	0	1	445.567	3.416	1	0		IGAFMN
O=C1OCC2=C1[C@H](c1cc3c(c(Br)c1)OCO3)c1cc3c(cc1N2)OCO3	ZINC000040914553	563111202	/nfs/dbraw/zinc/11/12/02/563111202.db2.gz	UPOXERRCRSYHGT-MRXNPFEDSA-N	0	1	430.210	3.275	1	0		IGAFMN
O=C1CC[C@@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1	ZINC000040957712	563114824	/nfs/dbraw/zinc/11/48/24/563114824.db2.gz	HGHBFHADCALABU-JOCHJYFZSA-N	0	1	442.357	3.431	1	0		IGAFMN
CN(C)CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1	ZINC000053243497	563141491	/nfs/dbraw/zinc/14/14/91/563141491.db2.gz	DMBIOPIPQMZIKE-UHFFFAOYSA-N	0	1	445.527	3.061	1	0		IGAFMN
COc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH2+]CC1	ZINC000064538975	563154948	/nfs/dbraw/zinc/15/49/48/563154948.db2.gz	NQZCQJSBQXCUGD-UHFFFAOYSA-N	0	1	440.569	3.125	1	0		IGAFMN
N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064539955	563155201	/nfs/dbraw/zinc/15/52/01/563155201.db2.gz	MTTGHHGIRDNBKA-GOSISDBHSA-N	0	1	430.339	3.155	1	0		IGAFMN
CC[C@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21	ZINC000066058774	563156881	/nfs/dbraw/zinc/15/68/81/563156881.db2.gz	ANUUSLSUVOFECW-SJLPKXTDSA-N	0	1	431.993	3.047	1	0		IGAFMN
COc1cc2c(cc1OC)[C@@H]1C[C@]3(CCN1CC2)C(=O)N(c1ccccc1)C(=O)N3C(C)=O	ZINC000073369876	563172678	/nfs/dbraw/zinc/17/26/78/563172678.db2.gz	JAYCKXDLLPVWKA-NBGIEHNGSA-N	0	1	449.507	3.151	1	0		IGAFMN
O=C([O-])c1[nH]c2ccccc2c1CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000004057749	562941374	/nfs/dbraw/zinc/94/13/74/562941374.db2.gz	VIDRNYZGJGFGQK-UHFFFAOYSA-N	0	1	440.931	3.000	3	0		IGAFMN
Nc1cc(F)ccc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013747180	563004095	/nfs/dbraw/zinc/00/40/95/563004095.db2.gz	MSRZTJMHKRJLST-UHFFFAOYSA-N	0	1	427.549	3.350	1	0		IGAFMN
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000013820876	563010040	/nfs/dbraw/zinc/01/00/40/563010040.db2.gz	CEFKGZFOFOYUQV-UHFFFAOYSA-N	0	1	433.430	3.445	1	0		IGAFMN
CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)Cc3ccccc3)CC2)c2ccccc21	ZINC000029560047	563082302	/nfs/dbraw/zinc/08/23/02/563082302.db2.gz	ZADBNVUBBDPTIL-UHFFFAOYSA-N	0	1	447.583	3.170	1	0		IGAFMN
CN(Cc1nc2c(cccc2C(=O)NCCc2cnc[nH]2)[nH]1)[C@H]1CCCc2cccnc21	ZINC000038239753	563097127	/nfs/dbraw/zinc/09/71/27/563097127.db2.gz	VLMHVPDHRBQBED-FQEVSTJZSA-N	0	1	429.528	3.163	1	0		IGAFMN
Cc1ccc2c(ccc(C(=O)NCCCNC(=O)c3ccc4[nH]c(C)ccc-4c3=O)c2O)n1	ZINC000040876838	563109484	/nfs/dbraw/zinc/10/94/84/563109484.db2.gz	ZXOFUGNADSLZBM-UHFFFAOYSA-N	0	1	444.491	3.361	1	0		IGAFMN
COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCN(C)CC1)OCO2	ZINC000045364120	563132894	/nfs/dbraw/zinc/13/28/94/563132894.db2.gz	MXPPKKWNBYCESE-UHFFFAOYSA-N	0	1	433.508	3.299	1	0		IGAFMN
CCOC(=O)C(CCCOc1cccc(OCCN(C)C)c1C(=O)CC)C(=O)OCC	ZINC000095562858	563182754	/nfs/dbraw/zinc/18/27/54/563182754.db2.gz	PAGMCNVFJWOEMG-UHFFFAOYSA-N	0	1	437.533	3.121	1	0		IGAFMN
C[C@@H]1N[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000012466099	525555021	/nfs/dbraw/zinc/55/50/21/525555021.db2.gz	ZKLSTLYBTHUDFT-FYSJFMMDSA-N	0	1	437.499	3.226	1	0		IGAFMN
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000013820857	563010016	/nfs/dbraw/zinc/01/00/16/563010016.db2.gz	BYFYQDNROZOLIH-UHFFFAOYSA-N	0	1	436.556	3.388	1	0		IGAFMN
O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022937550	563026416	/nfs/dbraw/zinc/02/64/16/563026416.db2.gz	IVAZNWJYRXPBIA-UHFFFAOYSA-N	0	1	440.547	3.097	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccsc2)ccc1O	ZINC000026815757	563036707	/nfs/dbraw/zinc/03/67/07/563036707.db2.gz	XWSXEKBJKIHRDY-NQIIRXRSSA-N	0	1	432.567	3.432	1	0		IGAFMN
COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1	ZINC000071318225	563162076	/nfs/dbraw/zinc/16/20/76/563162076.db2.gz	YZKFXOIWOSSUEC-UHFFFAOYSA-N	0	1	441.963	3.157	1	0		IGAFMN
O=C1c2ccccc2CN1[C@@H]1CCC(=O)N(CSC(=S)NC2CCCCC2)C1=O	ZINC000072175684	563165542	/nfs/dbraw/zinc/16/55/42/563165542.db2.gz	POXXVGMGQXWICZ-QGZVFWFLSA-N	0	1	431.583	3.058	1	0		IGAFMN
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@H](O)c4ccccc4)cc[nH]c3=O)nc21	ZINC000073410341	563172796	/nfs/dbraw/zinc/17/27/96/563172796.db2.gz	WBQBMMMQJSJEJT-NRFANRHFSA-N	0	1	445.523	3.209	1	0		IGAFMN
COc1cc(N2CCC([NH3+])CC2)ccc1-c1nc2c(C)nn(Cc3ccccc3)c([O-])c-2n1	ZINC000095555215	563181354	/nfs/dbraw/zinc/18/13/54/563181354.db2.gz	GULHHJKYWIKWIL-UHFFFAOYSA-N	0	1	444.539	3.079	1	0		IGAFMN
COc1cc(N2CCC([NH3+])CC2)ccc1-c1nc2c([n-]1)c(C)nn(Cc1ccccc1)c2=O	ZINC000095555215	563181356	/nfs/dbraw/zinc/18/13/56/563181356.db2.gz	GULHHJKYWIKWIL-UHFFFAOYSA-N	0	1	444.539	3.079	1	0		IGAFMN
Cc1[nH]nc2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N3C)cc2C	ZINC000096283380	563197194	/nfs/dbraw/zinc/19/71/94/563197194.db2.gz	DIVWBPDXMBOOBX-UHFFFAOYSA-N	0	1	448.571	3.434	1	0		IGAFMN
O=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(-c3ccncc3)cc21	ZINC000096284438	563197310	/nfs/dbraw/zinc/19/73/10/563197310.db2.gz	RRVILQFGAICFPT-NRFANRHFSA-N	0	1	430.537	3.149	1	0		IGAFMN
CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1	ZINC000003825356	562938894	/nfs/dbraw/zinc/93/88/94/562938894.db2.gz	ARTVCNLFVFBTNS-UHFFFAOYSA-N	0	1	434.544	3.063	1	0		IGAFMN
COc1cc(/C=C/C(=O)OCCN(C)CCOC(=O)c2ccccc2)cc(OC)c1OC	ZINC000013676193	563000485	/nfs/dbraw/zinc/00/04/85/563000485.db2.gz	LZXGHJOVMHORBZ-ZHACJKMWSA-N	0	1	443.496	3.058	1	0		IGAFMN
C[N@@H+](CCCOCCOCCc1ccccc1)CCc1ccc([O-])c2[nH]c(=O)sc21	ZINC000026962879	563038332	/nfs/dbraw/zinc/03/83/32/563038332.db2.gz	AEQYZGAQFDSQIR-UHFFFAOYSA-N	0	1	430.570	3.436	1	0		IGAFMN
COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1	ZINC000028524685	563056500	/nfs/dbraw/zinc/05/65/00/563056500.db2.gz	SYERHDJULLPKRY-UHFFFAOYSA-N	0	1	438.572	3.311	1	0		IGAFMN
CCOC(=O)CN1C(=O)N(CCCc2cnc[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21	ZINC000028571980	563059484	/nfs/dbraw/zinc/05/94/84/563059484.db2.gz	QHMLQIYABICDHY-XMMPIXPASA-N	0	1	434.496	3.238	1	0		IGAFMN
COc1ccccc1N1CCN(CCCNC(=O)[C@H]2CCCc3cccc(OC)c32)CC1	ZINC000028762836	563063845	/nfs/dbraw/zinc/06/38/45/563063845.db2.gz	FQRDAWJJGHRRCG-NRFANRHFSA-N	0	1	437.584	3.452	1	0		IGAFMN
C[C@H](NC(=O)[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)[O-]	ZINC000029126385	563074642	/nfs/dbraw/zinc/07/46/42/563074642.db2.gz	OJPHTSOMTCBSRQ-MBEBEXRASA-N	0	1	438.568	3.440	1	0		IGAFMN
O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(Cl)cc1	ZINC000029412138	563079898	/nfs/dbraw/zinc/07/98/98/563079898.db2.gz	JOFFYZUACPHITB-SFHVURJKSA-N	0	1	430.888	3.378	1	0		IGAFMN
COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)c(OC)c4)CC3)OC2=O)cc1	ZINC000029416072	563080019	/nfs/dbraw/zinc/08/00/19/563080019.db2.gz	RMAMFNDFIRVQBE-FQEVSTJZSA-N	0	1	442.512	3.021	1	0		IGAFMN
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1cnc[nH]1	ZINC000029566116	563082617	/nfs/dbraw/zinc/08/26/17/563082617.db2.gz	CJQBVEGZKWGXGA-QFIPXVFZSA-N	0	1	431.496	3.087	1	0		IGAFMN
CC(=O)Nc1nc(C)c(-c2cnc(F)c(NS(=O)(=O)c3sc(C)nc3C)c2)s1	ZINC000035998145	563090729	/nfs/dbraw/zinc/09/07/29/563090729.db2.gz	IGQXOMRFMBZFBD-UHFFFAOYSA-N	0	1	441.535	3.485	1	0	in-vitro	IGAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CC(C)(C)C)CC1	ZINC000040949651	563113754	/nfs/dbraw/zinc/11/37/54/563113754.db2.gz	SUYIDKGFTNNXCY-UHFFFAOYSA-N	0	1	425.957	3.104	1	0		IGAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2cccs2)CC1	ZINC000040949933	563113800	/nfs/dbraw/zinc/11/38/00/563113800.db2.gz	CSDYSQBSRIUXRM-UHFFFAOYSA-N	0	1	437.949	3.044	1	0		IGAFMN
Cc1ccc(C(=O)NC2CCN(CCNC(=O)Nc3cc(C)nc4ccccc43)CC2)cc1	ZINC000045194909	563124335	/nfs/dbraw/zinc/12/43/35/563124335.db2.gz	QNDYEMXFRSHPSF-UHFFFAOYSA-N	0	1	445.567	3.289	1	0		IGAFMN
CN1CCN(Cc2c3c(nc4cc5c(cc42)OCO5)-c2cc4ccccc4c(=O)n2C3)CC1	ZINC000058541463	563144208	/nfs/dbraw/zinc/14/42/08/563144208.db2.gz	IWYIDKBCYGZKPA-UHFFFAOYSA-N	0	1	440.503	3.055	1	0		IGAFMN
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC)c3c2)c1F	ZINC000072180266	563166879	/nfs/dbraw/zinc/16/68/79/563166879.db2.gz	VOGQWECSORTWQP-UHFFFAOYSA-N	0	1	439.444	3.039	1	0		IGAFMN
COc1ccc(C(=O)O[C@H]2C[C@@H]3C[C@H](OC(=O)c4ccc(OC)cc4)C[C@H]2N3C)cc1	ZINC000095913506	291358445	/nfs/dbraw/zinc/35/84/45/291358445.db2.gz	CYYVWDCOFOKRDD-MVWVFHAYSA-N	0	1	425.481	3.321	1	0	biogenic,in-vitro	IGAFMN
COc1ccc(C(=O)N[C@H]2CCCN(CCCOc3ccc4c(c3)OCO4)C2)cc1OC	ZINC000013558917	562993707	/nfs/dbraw/zinc/99/37/07/562993707.db2.gz	ZHSUNHFEAUHWFP-SFHVURJKSA-N	0	1	442.512	3.096	1	0		IGAFMN
COc1cc2c(NN3C(=O)C=C(C)C3=O)nc(-c3cccs3)nc2c(OC)c1OC	ZINC000013587552	562995733	/nfs/dbraw/zinc/99/57/33/562995733.db2.gz	XSAGYYKLKUTZGF-UHFFFAOYSA-N	0	1	426.454	3.026	1	0		IGAFMN
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C	ZINC000013657130	562999445	/nfs/dbraw/zinc/99/94/45/562999445.db2.gz	SMGGCGRBKDJWAW-RDJZCZTQSA-N	0	1	428.533	3.387	3	0		IGAFMN
CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1	ZINC000013764553	563005515	/nfs/dbraw/zinc/00/55/15/563005515.db2.gz	FAEPBXVYMFXGCS-UHFFFAOYSA-N	0	1	435.494	3.426	1	0		IGAFMN
COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1	ZINC000013782729	563006939	/nfs/dbraw/zinc/00/69/39/563006939.db2.gz	OZYPUQNRUYTZDI-UHFFFAOYSA-N	0	1	440.363	3.010	1	0		IGAFMN
COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1ccc2c(n1)NCCC2	ZINC000025998735	563028189	/nfs/dbraw/zinc/02/81/89/563028189.db2.gz	OHKIVHLQMSGSHE-FQEVSTJZSA-N	0	1	440.544	3.319	1	0		IGAFMN
CN(CCO)Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12	ZINC000028817122	563064641	/nfs/dbraw/zinc/06/46/41/563064641.db2.gz	KAQAVWVXKVKDIM-UHFFFAOYSA-N	0	1	445.502	3.434	1	0		IGAFMN
O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2ccno2)C(=O)O1)C1CC1	ZINC000028949353	563069371	/nfs/dbraw/zinc/06/93/71/563069371.db2.gz	WBBIAZIXYMTHJC-INIZCTEOSA-N	0	1	433.468	3.072	1	0		IGAFMN
COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1	ZINC000029126074	563074571	/nfs/dbraw/zinc/07/45/71/563074571.db2.gz	HITVJTYWBNSGGB-UHFFFAOYSA-N	0	1	438.977	3.001	1	0		IGAFMN
CNc1cccc(CCOc2cc(C[C@@H](CC(=O)[O-])c3ccc4c(c3)OCO4)on2)[nH+]1	ZINC000036269282	563092379	/nfs/dbraw/zinc/09/23/79/563092379.db2.gz	JRVUMBDCNCWNEP-HNNXBMFYSA-N	0	1	425.441	3.263	1	0		IGAFMN
O[C@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1	ZINC000040564188	563104696	/nfs/dbraw/zinc/10/46/96/563104696.db2.gz	MLPKOPXBTFTBAZ-VXKWHMMOSA-N	0	1	430.390	3.207	1	0		IGAFMN
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(Cc2ccccc2)CCN1C	ZINC000045254688	563127122	/nfs/dbraw/zinc/12/71/22/563127122.db2.gz	OBMROJSOWJZLLA-WMZHIEFXSA-N	0	1	427.556	3.432	1	0		IGAFMN
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(Cc2ccccc2)CCN1C	ZINC000045254686	563127150	/nfs/dbraw/zinc/12/71/50/563127150.db2.gz	OBMROJSOWJZLLA-XXBNENTESA-N	0	1	427.556	3.432	1	0		IGAFMN
CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	ZINC000072181119	563167139	/nfs/dbraw/zinc/16/71/39/563167139.db2.gz	VYNISSRXDZYNKV-UHFFFAOYSA-N	0	1	441.872	3.163	1	0		IGAFMN
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)C[C@H]2O	ZINC000084635144	563174849	/nfs/dbraw/zinc/17/48/49/563174849.db2.gz	HUYVGSBPTQXJBS-UONOGXRCSA-N	0	1	427.375	3.242	1	0		IGAFMN
COC(=O)Nc1nc2ccc(NC(=O)c3ccc(I)cc3)cc2[nH]1	ZINC000001663043	562924396	/nfs/dbraw/zinc/92/43/96/562924396.db2.gz	GIBBXVFAQVGNHF-UHFFFAOYSA-N	0	1	436.209	3.020	1	0		IGAFMN
CN1CCN(c2nc(NCCCc3ccccc3)nc(NCCc3ccc(O)cc3)n2)CC1	ZINC000013492548	562990599	/nfs/dbraw/zinc/99/05/99/562990599.db2.gz	NHTJJZKDVJPZAK-UHFFFAOYSA-N	0	1	447.587	3.028	1	0		IGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc3c2OCO3)CC1	ZINC000013526345	562991742	/nfs/dbraw/zinc/99/17/42/562991742.db2.gz	UGPOUXCBUMYZLN-VAWYXSNFSA-N	0	1	437.540	3.156	1	0		IGAFMN
Cc1nc(CN2C(=O)[C@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)n[nH]1	ZINC000013587932	562995926	/nfs/dbraw/zinc/99/59/26/562995926.db2.gz	IUQPIQITRCMSQR-GOSISDBHSA-N	0	1	434.887	3.136	1	0		IGAFMN
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@@H]1CN1CC[C@H](O)C1	ZINC000013737729	563002713	/nfs/dbraw/zinc/00/27/13/563002713.db2.gz	FWOHZFVTZAFRGX-YWZLYKJASA-N	0	1	435.351	3.434	1	0		IGAFMN
CCCN(C)C(=O)C[N@H+]1C[C@H](c2cccc(OC)c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000013760914	563004977	/nfs/dbraw/zinc/00/49/77/563004977.db2.gz	SOJFYIBAYMDZOI-JRFVFWCSSA-N	0	1	440.540	3.414	1	0		IGAFMN
O=C(NCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1	ZINC000015936456	563018790	/nfs/dbraw/zinc/01/87/90/563018790.db2.gz	ZRDYACMNVVGNLE-HNNXBMFYSA-N	0	1	428.895	3.453	3	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)ccc1O	ZINC000026819692	563036797	/nfs/dbraw/zinc/03/67/97/563036797.db2.gz	SAOLMWVZETVVJP-XMMPIXPASA-N	0	1	440.565	3.241	1	0		IGAFMN
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)[O-]	ZINC000029126346	563074595	/nfs/dbraw/zinc/07/45/95/563074595.db2.gz	OJPHTSOMTCBSRQ-KGQOEIRESA-N	0	1	438.568	3.440	1	0		IGAFMN
CNc1cccc(CCOc2cc(C[C@H](CC(=O)[O-])c3ccc4c(c3)OCO4)on2)[nH+]1	ZINC000036269286	563092383	/nfs/dbraw/zinc/09/23/83/563092383.db2.gz	JRVUMBDCNCWNEP-OAHLLOKOSA-N	0	1	425.441	3.263	1	0		IGAFMN
O[C@H]1CCN(Cc2cccc(Br)c2)C[C@@H]1N1CCN(c2ccccc2)CC1	ZINC000038156627	563096766	/nfs/dbraw/zinc/09/67/66/563096766.db2.gz	KTOAHCJQSOZXQM-VXKWHMMOSA-N	0	1	430.390	3.207	1	0		IGAFMN
O[C@H]1CCN(Cc2ccccc2Br)C[C@H]1N1CCN(c2ccccc2)CC1	ZINC000038156628	563096774	/nfs/dbraw/zinc/09/67/74/563096774.db2.gz	NXSBLNXROUIMTM-YADHBBJMSA-N	0	1	430.390	3.207	1	0		IGAFMN
CCN(CC)C(=O)c1c2nnc(-c3ccccc3)n2c2ncccc2c1N1CCN(C)CC1	ZINC000040393682	563100305	/nfs/dbraw/zinc/10/03/05/563100305.db2.gz	VURZPZFEVRSNLG-UHFFFAOYSA-N	0	1	443.555	3.178	1	0		IGAFMN
OC[C@H](O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1	ZINC000040861809	563108203	/nfs/dbraw/zinc/10/82/03/563108203.db2.gz	HQVRTEVEFWPWCH-SFHVURJKSA-N	0	1	444.532	3.314	1	0		IGAFMN
O=C1CC[C@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1	ZINC000040957715	563114834	/nfs/dbraw/zinc/11/48/34/563114834.db2.gz	HGHBFHADCALABU-QFIPXVFZSA-N	0	1	442.357	3.431	1	0		IGAFMN
CC(C)Oc1ccc2c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnn2n1	ZINC000053182615	563141195	/nfs/dbraw/zinc/14/11/95/563141195.db2.gz	AJLPDJZYNSSQJO-UHFFFAOYSA-N	0	1	444.543	3.469	1	0		IGAFMN
C[NH+](C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2C[NH2+]1	ZINC000058569285	563144672	/nfs/dbraw/zinc/14/46/72/563144672.db2.gz	DTFXMUGNPMSNRG-NRFANRHFSA-N	0	1	439.947	3.324	1	0		IGAFMN
O=C(Nc1ccccc1)N1C[C@H](C(=O)N2CCNCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000072177506	563166030	/nfs/dbraw/zinc/16/60/30/563166030.db2.gz	VWEZJTHPKBQXNE-WZONZLPQSA-N	0	1	441.535	3.072	1	0		IGAFMN
CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012026552	562980271	/nfs/dbraw/zinc/98/02/71/562980271.db2.gz	KQYKLQASQVGJEY-CYFREDJKSA-N	0	1	439.512	3.032	1	0		IGAFMN
COc1ccc2nc(CCN(C)C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)[nH]c2c1	ZINC000012433566	562982079	/nfs/dbraw/zinc/98/20/79/562982079.db2.gz	PRRWGYCFCXHGAW-QGZVFWFLSA-N	0	1	438.503	3.150	3	0		IGAFMN
COc1ccc(N)c(C(=O)NCCCCN2CCN(c3nsc4ccccc43)CC2)c1	ZINC000013747177	563004148	/nfs/dbraw/zinc/00/41/48/563004148.db2.gz	KYWDYLWXAIMECX-UHFFFAOYSA-N	0	1	439.585	3.219	1	0		IGAFMN
CCCN(C)C(=O)C[N@H+]1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000013760913	563005051	/nfs/dbraw/zinc/00/50/51/563005051.db2.gz	BVNZXNOMGWQSDJ-JRFVFWCSSA-N	0	1	440.540	3.414	1	0		IGAFMN
N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000013779033	563006134	/nfs/dbraw/zinc/00/61/34/563006134.db2.gz	NYKDSKBIFUEWIT-UKILVPOCSA-N	0	1	427.548	3.453	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccsc2)ccc1O	ZINC000026815760	563036742	/nfs/dbraw/zinc/03/67/42/563036742.db2.gz	XWSXEKBJKIHRDY-WIYYLYMNSA-N	0	1	432.567	3.432	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)ccc1O	ZINC000026822051	563036967	/nfs/dbraw/zinc/03/69/67/563036967.db2.gz	GTHURDNXWAMVPK-REWPJTCUSA-N	0	1	426.538	3.371	1	0		IGAFMN
CCOC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2ccno2)C(=O)O1	ZINC000028949345	563069432	/nfs/dbraw/zinc/06/94/32/563069432.db2.gz	DUROHNMRNFFGON-HNNXBMFYSA-N	0	1	437.456	3.292	1	0		IGAFMN
CN1CCN(c2cc3ccccc3c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)n2)CC1	ZINC000034298475	563086052	/nfs/dbraw/zinc/08/60/52/563086052.db2.gz	KMFOKKGKNMQAAN-UHFFFAOYSA-N	0	1	437.503	3.035	1	0		IGAFMN
O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCNCC1	ZINC000036381432	563093786	/nfs/dbraw/zinc/09/37/86/563093786.db2.gz	QKLJLRGZFIWPLI-UHFFFAOYSA-N	0	1	435.391	3.221	3	0		IGAFMN
Nc1nccc(-c2ccc3[nH]c([C@H]4COc5c(CC(=O)NC6CC6)cccc5C4)nc3c2)n1	ZINC000049113083	563138491	/nfs/dbraw/zinc/13/84/91/563138491.db2.gz	QESAMTXGZKKXSR-QGZVFWFLSA-N	0	1	440.507	3.142	1	0		IGAFMN
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(OC)c3c2)c1Cl	ZINC000073222150	563170688	/nfs/dbraw/zinc/17/06/88/563170688.db2.gz	VPCGBNNYQVEART-UHFFFAOYSA-N	0	1	441.872	3.163	1	0		IGAFMN
CCOC(=O)n1c2ccccc2c2c1N(C(=O)OCC)N(C(=O)OCC)C(OC)C2=O	ZINC000001654589	562923976	/nfs/dbraw/zinc/92/39/76/562923976.db2.gz	HQAKEXUTVHEVBV-KRWDZBQOSA-N	0	1	433.417	3.151	1	0		IGAFMN
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(N4CCOCC4=O)cc3)c2o1	ZINC000003928209	562939381	/nfs/dbraw/zinc/93/93/81/562939381.db2.gz	PHFOBNOTNYOYKF-QFIPXVFZSA-N	0	1	445.519	3.287	1	0		IGAFMN
O=C([O-])C[NH+]1CCSc2ccccc2C[N@@H+](CC(=O)[O-])CCSc2ccccc2C1	ZINC000005843512	562945092	/nfs/dbraw/zinc/94/50/92/562945092.db2.gz	ANMWFBKSYJTLMJ-UHFFFAOYSA-N	0	1	446.594	3.358	1	0		IGAFMN
O=C1c2ccccc2C(=O)N1C[C@H]1C[C@H]1CN1CCN(c2nsc3ccccc32)CC1	ZINC000012356421	562981521	/nfs/dbraw/zinc/98/15/21/562981521.db2.gz	UGMOAPLNQIPTAB-DLBZAZTESA-N	0	1	432.549	3.351	1	0		IGAFMN
O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013738136	563002783	/nfs/dbraw/zinc/00/27/83/563002783.db2.gz	GVEWBUJRQFIULE-UHFFFAOYSA-N	0	1	434.565	3.424	1	0		IGAFMN
Cc1ccc2c(c1)N(C(=O)N1C[C@@H](C)N[C@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2	ZINC000013796005	563007269	/nfs/dbraw/zinc/00/72/69/563007269.db2.gz	VJJWDQAWGHONBZ-HZPDHXFCSA-N	0	1	425.533	3.258	1	0		IGAFMN
O=C1CC2(CCCC2)C[C@H](O)N1OCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013820864	563010045	/nfs/dbraw/zinc/01/00/45/563010045.db2.gz	BDMMVEQEGALIHG-FQEVSTJZSA-N	0	1	444.601	3.241	1	0		IGAFMN
CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1cccc(C[NH2+]CCOC)c1	ZINC000014974840	563016814	/nfs/dbraw/zinc/01/68/14/563016814.db2.gz	GTDZHPNPPFOWPC-UHFFFAOYSA-N	0	1	444.919	3.294	1	0		IGAFMN
COc1ccccc1N1CCN(CCc2oc(=O)n(C(C)=O)c2-c2ccc(F)cc2)CC1	ZINC000026295594	563030960	/nfs/dbraw/zinc/03/09/60/563030960.db2.gz	IKZYHKSKQYKFKQ-UHFFFAOYSA-N	0	1	439.487	3.281	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccsc2)ccc1O	ZINC000026815752	563036689	/nfs/dbraw/zinc/03/66/89/563036689.db2.gz	XWSXEKBJKIHRDY-GHTZIAJQSA-N	0	1	432.567	3.432	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)Cc3ccccc32)CC1	ZINC000027988150	563048853	/nfs/dbraw/zinc/04/88/53/563048853.db2.gz	KMZHNHUUGMCSMN-UHFFFAOYSA-N	0	1	435.568	3.500	1	0		IGAFMN
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccc(O)cc4)n[nH]c2-3)C(=O)O1	ZINC000028949204	563069441	/nfs/dbraw/zinc/06/94/41/563069441.db2.gz	DWBNMBDPTGJZMY-IBGZPJMESA-N	0	1	432.480	3.399	1	0		IGAFMN
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2nc[nH]c2c(Br)c1	ZINC000036330285	563092869	/nfs/dbraw/zinc/09/28/69/563092869.db2.gz	DPIHQSPDLAUFSG-UHFFFAOYSA-N	0	1	431.362	3.226	1	0		IGAFMN
COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1	ZINC000046009536	563134940	/nfs/dbraw/zinc/13/49/40/563134940.db2.gz	KQJPZLNOKCNFSE-UHFFFAOYSA-N	0	1	439.493	3.479	1	0	in-vitro	IGAFMN
C[C@@H](NC(=O)c1nc[nH]c1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1	ZINC000061949674	563151853	/nfs/dbraw/zinc/15/18/53/563151853.db2.gz	DNPUXVLTCAUWNA-MRXNPFEDSA-N	0	1	443.548	3.326	3	0		IGAFMN
Nc1cccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1	ZINC000064540275	563155267	/nfs/dbraw/zinc/15/52/67/563155267.db2.gz	BLOOOKDVZQKAGR-UHFFFAOYSA-N	0	1	426.386	3.364	1	0		IGAFMN
CN1CCN(c2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1	ZINC000095577746	563186462	/nfs/dbraw/zinc/18/64/62/563186462.db2.gz	HFPUIOYUZROFHG-UHFFFAOYSA-N	0	1	437.503	3.035	1	0		IGAFMN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@H]2CC[C@@H]3N2C)cc1	ZINC000095589446	563189723	/nfs/dbraw/zinc/18/97/23/563189723.db2.gz	AQODXCHGIFZIIO-CVAIRZPRSA-N	0	1	436.560	3.202	1	0		IGAFMN
Cc1oc(-c2ccccc2C)nc1CN1CCC[C@H](C(=O)NCCCN2CCOCC2)C1	ZINC000004100899	562941791	/nfs/dbraw/zinc/94/17/91/562941791.db2.gz	SITTZQIIZMJXSK-NRFANRHFSA-N	0	1	440.588	3.009	3	0		IGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1	ZINC000013679123	563000821	/nfs/dbraw/zinc/00/08/21/563000821.db2.gz	NTASTGHPPLINPW-UHFFFAOYSA-N	0	1	433.556	3.213	1	0	in-vitro	IGAFMN
CC[S@](=O)CC[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746888	563004170	/nfs/dbraw/zinc/00/41/70/563004170.db2.gz	QEYLNCFKHHSXKD-AQESEFOUSA-N	0	1	445.537	3.034	1	0		IGAFMN
C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@H](C)N1C	ZINC000013795928	563007290	/nfs/dbraw/zinc/00/72/90/563007290.db2.gz	HMHDJXDCRLVTJQ-IYBDPMFKSA-N	0	1	425.533	3.292	1	0		IGAFMN
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3c(c2)OCO3)c1Cl	ZINC000013815640	563009336	/nfs/dbraw/zinc/00/93/36/563009336.db2.gz	JBQRAWXTTIKPRD-UHFFFAOYSA-N	0	1	442.858	3.447	1	0		IGAFMN
O=C(NCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1	ZINC000015936457	563018779	/nfs/dbraw/zinc/01/87/79/563018779.db2.gz	ZRDYACMNVVGNLE-OAHLLOKOSA-N	0	1	428.895	3.453	3	0		IGAFMN
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12	ZINC000026179389	563029523	/nfs/dbraw/zinc/02/95/23/563029523.db2.gz	OAZAZSVSTJITEI-VWNXMTODSA-N	0	1	430.593	3.037	1	0		IGAFMN
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1	ZINC000026268376	563030358	/nfs/dbraw/zinc/03/03/58/563030358.db2.gz	HQRSMNLSFMUJPL-KOSHJBKYSA-N	0	1	444.526	3.068	1	0		IGAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000027988002	563048901	/nfs/dbraw/zinc/04/89/01/563048901.db2.gz	XRUWVGMEGYVABH-UHFFFAOYSA-N	0	1	449.551	3.207	1	0		IGAFMN
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F	ZINC000029125462	563074319	/nfs/dbraw/zinc/07/43/19/563074319.db2.gz	ZNLRVBNIGQIAKD-UHFFFAOYSA-N	0	1	426.941	3.131	1	0		IGAFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(C(N)=O)c4)c3n2)CC1	ZINC000040873511	563109174	/nfs/dbraw/zinc/10/91/74/563109174.db2.gz	JBNUKLBDKPICFH-UHFFFAOYSA-N	0	1	444.461	3.111	1	0		IGAFMN
Cc1nn2cc(-c3ccc(OCCN4CCN(C)CC4)cc3)cnc2c1-c1ccncc1	ZINC000040895599	563110374	/nfs/dbraw/zinc/11/03/74/563110374.db2.gz	WFTVDXJIEHPAFM-UHFFFAOYSA-N	0	1	428.540	3.393	1	0		IGAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2ccsc2)CC1	ZINC000045505787	563134826	/nfs/dbraw/zinc/13/48/26/563134826.db2.gz	LQHWKJSTNYOMIK-UHFFFAOYSA-N	0	1	437.949	3.044	1	0		IGAFMN
CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1	ZINC000063539726	563152346	/nfs/dbraw/zinc/15/23/46/563152346.db2.gz	SLKCVFPEQGHNSI-UHFFFAOYSA-N	0	1	427.940	3.074	1	0		IGAFMN
CN1CCN(C2(CNC(=O)c3ccccc3OC(F)(F)F)Cc3ccccc3C2)CC1	ZINC000072180249	563166868	/nfs/dbraw/zinc/16/68/68/563166868.db2.gz	WFIKFGQDEGFKJU-UHFFFAOYSA-N	0	1	433.474	3.100	1	0		IGAFMN
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)[nH]4)c(C(C)C)c23)c(F)cc1F	ZINC000013645306	562998702	/nfs/dbraw/zinc/99/87/02/562998702.db2.gz	KPPYNHRMNFKBRA-UHFFFAOYSA-N	0	1	442.430	3.259	1	0		IGAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)ccc1O	ZINC000026822061	563036953	/nfs/dbraw/zinc/03/69/53/563036953.db2.gz	GTHURDNXWAMVPK-OFNKIYASSA-N	0	1	426.538	3.371	1	0		IGAFMN
O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1NCc1c[nH]cn1	ZINC000028526894	563056971	/nfs/dbraw/zinc/05/69/71/563056971.db2.gz	ZQLPWMOMHXDEQE-UHFFFAOYSA-N	0	1	433.512	3.145	1	0		IGAFMN
CN(Cc1nc2c(cccc2C(=O)NCCc2cnc[nH]2)[nH]1)[C@@H]1CCCc2cccnc21	ZINC000038239752	563097144	/nfs/dbraw/zinc/09/71/44/563097144.db2.gz	VLMHVPDHRBQBED-HXUWFJFHSA-N	0	1	429.528	3.163	1	0		IGAFMN
Nc1nccc(-c2ccc3[nH]c([C@H]4COc5ccc(C(=O)NC6CC6)cc5C4)nc3c2)n1	ZINC000040860506	563108013	/nfs/dbraw/zinc/10/80/13/563108013.db2.gz	VILQJQQODSKEFD-MRXNPFEDSA-N	0	1	426.480	3.213	1	0		IGAFMN
Cc1cc(NC(=O)NCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccccc2n1	ZINC000045167878	563122473	/nfs/dbraw/zinc/12/24/73/563122473.db2.gz	IJVNRDKJYFPYLK-UHFFFAOYSA-N	0	1	449.530	3.120	1	0		IGAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc2ccccc2c1	ZINC000064436854	563153011	/nfs/dbraw/zinc/15/30/11/563153011.db2.gz	UTIXVFOLPPYJOB-UHFFFAOYSA-N	0	1	446.526	3.137	1	0		IGAFMN
CCN1CCN(C[C@@H](O)COc2ccc(F)cc2C(=O)CCc2ccc(F)cc2)CC1	ZINC000073161241	563169492	/nfs/dbraw/zinc/16/94/92/563169492.db2.gz	FPRBKWVBYRWHMW-OAQYLSRUSA-N	0	1	432.511	3.158	1	0		IGAFMN
Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12	ZINC000084635295	563174768	/nfs/dbraw/zinc/17/47/68/563174768.db2.gz	WSQRHGLVKRDKCU-UHFFFAOYSA-N	0	1	425.920	3.361	1	0		IGAFMN