smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C=C2C[N@@H+](C)C[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1	ZINC000006522398	204182938	/nfs/dbraw/zinc/18/29/38/204182938.db2.gz	TWQNLQSVHIFNMC-LDZGDMBKSA-N	1	1	375.541	4.319	1	0		GIAFMO
O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1cccc(F)c1)CC2	ZINC000006576853	204184798	/nfs/dbraw/zinc/18/47/98/204184798.db2.gz	ORZUIMGMXAQGPX-UEVCKROQSA-N	1	1	383.463	4.423	1	0		GIAFMO
COc1cccc(C[N@@H+]2CC[C@@](C)(Oc3ccc(Cl)cc3OC)C2)c1OC	ZINC000061927075	205184697	/nfs/dbraw/zinc/18/46/97/205184697.db2.gz	HYUHLUNMVFGYNI-OAQYLSRUSA-N	1	1	391.895	4.409	3	0		GIAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccc(C(C)=O)c3)cc1)[N@H+]2C	ZINC000029474494	221694289	/nfs/dbraw/zinc/69/42/89/221694289.db2.gz	CGGKEMRCMPNIGU-WBADGQHESA-N	1	1	377.484	4.296	1	0		GIAFMO
CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000043022621	581092139	/nfs/dbraw/zinc/09/21/39/581092139.db2.gz	HWLQRSMZQWZHLO-HRAATJIYSA-N	1	1	375.944	4.340	1	0		GIAFMO
COCC(=O)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1	ZINC000004237987	204034583	/nfs/dbraw/zinc/03/45/83/204034583.db2.gz	LMHDBFQNVSLDMN-UHFFFAOYSA-N	1	1	392.543	4.127	1	0		GIAFMO
CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000004887919	204086490	/nfs/dbraw/zinc/08/64/90/204086490.db2.gz	GFCXINFWTLYCDS-SEJPIABJSA-N	1	1	378.516	4.401	3	0		GIAFMO
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1	ZINC000043064586	205082600	/nfs/dbraw/zinc/08/26/00/205082600.db2.gz	KWAFUBLIEZQFJO-UHFFFAOYSA-N	1	1	390.512	4.068	1	0		GIAFMO
CC1(C)[C@@H]2CC[C@]13CC[N@@H+](CCN1CCN(c4cccc(Cl)c4)C1=O)[C@H]3C2	ZINC000045244846	205094036	/nfs/dbraw/zinc/09/40/36/205094036.db2.gz	BLMDJHOZZKURJN-GTCCEBARSA-N	1	1	387.955	4.483	1	0		GIAFMO
CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CC[N@@H+]1C	ZINC000045370120	205096541	/nfs/dbraw/zinc/09/65/41/205096541.db2.gz	VOTBDUBBSJTEPA-PZJWPPBQSA-N	1	1	399.922	4.122	1	0		GIAFMO
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@@H](Cc2ccccc2)[NH2+]1	ZINC000040979525	205076710	/nfs/dbraw/zinc/07/67/10/205076710.db2.gz	FJUZXPCCIRYMQU-GOTSBHOMSA-N	1	1	386.520	4.470	1	0		GIAFMO
Cc1csc(Cn2c3ccccc3nc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)n1	ZINC000049125295	205126650	/nfs/dbraw/zinc/12/66/50/205126650.db2.gz	GYCWXDHHROKGSJ-QGZVFWFLSA-N	1	1	396.560	4.208	1	0		GIAFMO
O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)ccc2O	ZINC000062224928	205186118	/nfs/dbraw/zinc/18/61/18/205186118.db2.gz	XEDUTQMPNJLZKT-HFTRVMKXSA-N	1	1	390.549	4.057	1	0		GIAFMO
C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1	ZINC000059261983	205178353	/nfs/dbraw/zinc/17/83/53/205178353.db2.gz	QUVLTPSEQSBWKS-XJKSGUPXSA-N	1	1	381.442	4.117	1	0		GIAFMO
O[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1	ZINC000061923803	205184278	/nfs/dbraw/zinc/18/42/78/205184278.db2.gz	YLXNKTAEJNVBQL-DNVJHFABSA-N	1	1	380.536	4.085	3	0		GIAFMO
CCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1	ZINC000061927010	205184630	/nfs/dbraw/zinc/18/46/30/205184630.db2.gz	OKIDEFYTMZZKGO-IBGZPJMESA-N	1	1	377.941	4.202	3	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccc2ccccc2c1	ZINC000061930613	205184687	/nfs/dbraw/zinc/18/46/87/205184687.db2.gz	SMUQZWLJZBTBJG-XMMPIXPASA-N	1	1	388.467	4.214	3	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccc2ccccc2c1	ZINC000061930613	205184689	/nfs/dbraw/zinc/18/46/89/205184689.db2.gz	SMUQZWLJZBTBJG-XMMPIXPASA-N	1	1	388.467	4.214	3	0		GIAFMO
Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCC3)C2)cc1	ZINC000072122668	205307131	/nfs/dbraw/zinc/30/71/31/205307131.db2.gz	DNXMXCCCVCPJES-OAQYLSRUSA-N	1	1	388.515	4.033	1	0		GIAFMO
Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1	ZINC000072126069	205307790	/nfs/dbraw/zinc/30/77/90/205307790.db2.gz	KEKBUHHPINWJRM-LJQANCHMSA-N	1	1	388.515	4.081	1	0		GIAFMO
Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F	ZINC000096271312	205554587	/nfs/dbraw/zinc/55/45/87/205554587.db2.gz	PWLRRJAFPMHNQH-HKUYNNGSSA-N	1	1	381.495	4.449	1	0		GIAFMO
C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1	ZINC000096929231	205578384	/nfs/dbraw/zinc/57/83/84/205578384.db2.gz	PLOHAMWJMYYAHV-FDDCHVKYSA-N	1	1	392.547	4.068	1	0		GIAFMO
CC[N@@H+]1CC(=Cc2ccc(C)cc2)C2=NC(=S)N[C@@H](c3ccc(C)cc3)C2C1	ZINC000064448649	205190725	/nfs/dbraw/zinc/19/07/25/205190725.db2.gz	SQIIYCCGOMTDRN-IMEWXKHHSA-N	1	1	389.568	4.495	1	0		GIAFMO
CCCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N@H+](C)CC2)OCO4	ZINC000072118079	205304943	/nfs/dbraw/zinc/30/49/43/205304943.db2.gz	ASLWZHMMBBLTEM-KRWDZBQOSA-N	1	1	381.472	4.355	1	0		GIAFMO
CCCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N@@H+](C)CC2)OCO4	ZINC000072118079	205304948	/nfs/dbraw/zinc/30/49/48/205304948.db2.gz	ASLWZHMMBBLTEM-KRWDZBQOSA-N	1	1	381.472	4.355	1	0		GIAFMO
Cc1c(C2CC2)[nH+]c2ccc(NC(=O)c3cnc(-c4ccc(F)cc4)cn3)cn12	ZINC000043062655	205081116	/nfs/dbraw/zinc/08/11/16/205081116.db2.gz	WKZYDHCCCXGXRK-UHFFFAOYSA-N	1	1	387.418	4.369	1	0		GIAFMO
NC(=[NH2+])c1ccc2[nH]c(-c3ccc4nc(-c5ccc(F)c(F)c5)[nH]c4c3)nc2c1	ZINC000045495197	205097925	/nfs/dbraw/zinc/09/79/25/205097925.db2.gz	OSALDKLIXSLHTJ-UHFFFAOYSA-N	1	1	388.381	4.335	1	0		GIAFMO
NC(=[NH2+])c1ccc2nc(-c3ccc4[nH]c(-c5ccc(F)c(F)c5)nc4c3)[nH]c2c1	ZINC000045495197	205097927	/nfs/dbraw/zinc/09/79/27/205097927.db2.gz	OSALDKLIXSLHTJ-UHFFFAOYSA-N	1	1	388.381	4.335	1	0		GIAFMO
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@H](Cc2ccccc2)[NH2+]1	ZINC000040979524	205076518	/nfs/dbraw/zinc/07/65/18/205076518.db2.gz	FJUZXPCCIRYMQU-XZOQPEGZSA-N	1	1	386.520	4.470	1	0		GIAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)[N@H+]2C/C=C/CF	ZINC000058541423	205177322	/nfs/dbraw/zinc/17/73/22/205177322.db2.gz	FXIKVFNIIRHKBX-MBHMRJJTSA-N	1	1	396.300	4.084	1	0		GIAFMO
COc1cc2c3c(c1OCC(C)C)-c1cc4c(cc1C[C@@H]3[N@H+](C)CC2)OCO4	ZINC000072117080	205304597	/nfs/dbraw/zinc/30/45/97/205304597.db2.gz	BLXLNQMZEWSHPC-KRWDZBQOSA-N	1	1	381.472	4.211	1	0		GIAFMO
COc1cc2c3c(c1OCC(C)C)-c1cc4c(cc1C[C@@H]3[N@@H+](C)CC2)OCO4	ZINC000072117080	205304602	/nfs/dbraw/zinc/30/46/02/205304602.db2.gz	BLXLNQMZEWSHPC-KRWDZBQOSA-N	1	1	381.472	4.211	1	0		GIAFMO
COc1ccc(-c2nc3ccc(-c4nc5cc(C(N)=[NH2+])ccc5[nH]4)cc3[nH]2)cc1	ZINC000005889286	204155193	/nfs/dbraw/zinc/15/51/93/204155193.db2.gz	ZUMPAEXRWOLVKS-UHFFFAOYSA-N	1	1	382.427	4.066	1	0		GIAFMO
COc1ccc(-c2nc3cc(-c4nc5ccc(C(N)=[NH2+])cc5[nH]4)ccc3[nH]2)cc1	ZINC000005889286	204155197	/nfs/dbraw/zinc/15/51/97/204155197.db2.gz	ZUMPAEXRWOLVKS-UHFFFAOYSA-N	1	1	382.427	4.066	1	0		GIAFMO
O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12	ZINC000012356341	204399899	/nfs/dbraw/zinc/39/98/99/204399899.db2.gz	ZFVCOZSVRXMIIP-KSFYIVLOSA-N	1	1	399.494	4.306	1	0		GIAFMO
Nc1[nH+]cnc2c1ccn2-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000045244885	205094394	/nfs/dbraw/zinc/09/43/94/205094394.db2.gz	IHIKBVHWWIQIQY-UHFFFAOYSA-N	1	1	397.360	4.274	1	0		GIAFMO
Cn1cc([C@H]2CC[N@H+]([C@@H]3Cc4cccc5cccc3c45)C[C@@H]2O)c2cccnc21	ZINC000036221544	221848832	/nfs/dbraw/zinc/84/88/32/221848832.db2.gz	VOHINDSZXQXORW-YSZBQJHXSA-N	1	1	383.495	4.174	1	0		GIAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12	ZINC000003820641	204019852	/nfs/dbraw/zinc/01/98/52/204019852.db2.gz	ACCULLWIBRVLMN-UHFFFAOYSA-N	1	1	397.881	4.438	1	0		GIAFMO
O[C@@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000006576848	204185305	/nfs/dbraw/zinc/18/53/05/204185305.db2.gz	NHBIUSXQFCMSRS-WWPVKYPJSA-N	1	1	383.463	4.423	1	0		GIAFMO
C[C@H]1CCCC[N@H+]1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21	ZINC000045389111	205095781	/nfs/dbraw/zinc/09/57/81/205095781.db2.gz	BOQKMDDOTKOYRK-KRWDZBQOSA-N	1	1	382.529	4.418	1	0	in-vitro	GIAFMO
C[C@H]1CCC[N@@H+](CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c32)C1	ZINC000045389328	205096285	/nfs/dbraw/zinc/09/62/85/205096285.db2.gz	JBNMIXNIEIEPSS-KRWDZBQOSA-N	1	1	382.529	4.275	1	0	in-vitro	GIAFMO
CC[NH2+]Cc1cncc(-c2cnc3c(c2)[C@H](c2nc4ccc(F)cc4[nH]2)N=N3)c1	ZINC000049567218	205128192	/nfs/dbraw/zinc/12/81/92/205128192.db2.gz	KRKHEOQTCZTRNA-LJQANCHMSA-N	1	1	387.422	4.455	1	0		GIAFMO
C[N@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(F)cc1	ZINC000062213053	205185412	/nfs/dbraw/zinc/18/54/12/205185412.db2.gz	UHPCLHOBLVYPFH-IBGZPJMESA-N	1	1	389.421	4.405	1	0		GIAFMO
COc1cc2c3c(c1OCC1CCC1)-c1cc4c(cc1C[C@@H]3[N@H+](C)CC2)OCO4	ZINC000072118164	205305636	/nfs/dbraw/zinc/30/56/36/205305636.db2.gz	SNIAWMWFEIINKK-SFHVURJKSA-N	1	1	393.483	4.355	1	0		GIAFMO
COc1cc2c3c(c1OCC1CCC1)-c1cc4c(cc1C[C@@H]3[N@@H+](C)CC2)OCO4	ZINC000072118164	205305639	/nfs/dbraw/zinc/30/56/39/205305639.db2.gz	SNIAWMWFEIINKK-SFHVURJKSA-N	1	1	393.483	4.355	1	0		GIAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1	ZINC000073195979	205354998	/nfs/dbraw/zinc/35/49/98/205354998.db2.gz	RNTBAXMUZAIGMW-GOSISDBHSA-N	1	1	376.500	4.459	1	0		GIAFMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1	ZINC000005050536	204107569	/nfs/dbraw/zinc/10/75/69/204107569.db2.gz	QXMIBDJBYORMSG-IYBDPMFKSA-N	1	1	384.545	4.405	3	0		GIAFMO
COc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1OC	ZINC000039515548	205041515	/nfs/dbraw/zinc/04/15/15/205041515.db2.gz	JIVPPSKDZUVJRA-OAQYLSRUSA-N	1	1	378.944	4.055	1	0		GIAFMO
COc1ccc(NC(=O)N[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)cc1	ZINC000045168927	205092811	/nfs/dbraw/zinc/09/28/11/205092811.db2.gz	CONJQRBZKIMYIX-INIZCTEOSA-N	1	1	396.878	4.297	1	0		GIAFMO
C[NH2+]CCN1CCC(c2cc3nc(-c4ccc(F)cc4OC)[nH]c3c(C)c2)CC1	ZINC000045288480	205094307	/nfs/dbraw/zinc/09/43/07/205094307.db2.gz	GBMDFYLUPGWOCT-UHFFFAOYSA-N	1	1	396.510	4.085	1	0		GIAFMO
COc1cc2[nH+]ccc(OC(=O)c3ccccc3Br)c2c(OC)c1	ZINC000045300019	205094386	/nfs/dbraw/zinc/09/43/86/205094386.db2.gz	OEQFWFMGQWFYTO-UHFFFAOYSA-N	1	1	388.217	4.234	1	0		GIAFMO
COc1cc2[nH+]ccc(OC(=O)c3ccc(Br)cc3)c2c(OC)c1	ZINC000045290224	205094461	/nfs/dbraw/zinc/09/44/61/205094461.db2.gz	HGFMHCDWSQMXRG-UHFFFAOYSA-N	1	1	388.217	4.234	1	0		GIAFMO
C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21	ZINC000045365727	205095267	/nfs/dbraw/zinc/09/52/67/205095267.db2.gz	XVAIBFITQWHLML-NZQKXSOJSA-N	1	1	396.918	4.107	1	0		GIAFMO
C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O	ZINC000049048562	205125677	/nfs/dbraw/zinc/12/56/77/205125677.db2.gz	UMJOOJXWGPXRLE-GASCZTMLSA-N	1	1	384.483	4.310	1	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1csc2ccccc12	ZINC000061896422	205183660	/nfs/dbraw/zinc/18/36/60/205183660.db2.gz	XAIBMKGOSBMIJK-JOCHJYFZSA-N	1	1	394.496	4.276	3	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1csc2ccccc12	ZINC000061896422	205183663	/nfs/dbraw/zinc/18/36/63/205183663.db2.gz	XAIBMKGOSBMIJK-JOCHJYFZSA-N	1	1	394.496	4.276	3	0		GIAFMO
C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O	ZINC000005890341	204155423	/nfs/dbraw/zinc/15/54/23/204155423.db2.gz	CMCDWLMEDRBWIR-DIFFPNOSSA-N	1	1	382.439	4.316	1	0		GIAFMO
O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000006576846	204184465	/nfs/dbraw/zinc/18/44/65/204184465.db2.gz	NHBIUSXQFCMSRS-UEVCKROQSA-N	1	1	383.463	4.423	1	0		GIAFMO
Cc1c2cc(F)ccc2sc1C[NH+]1CCN(C(=O)Nc2cccnc2)CC1	ZINC000043023933	205081875	/nfs/dbraw/zinc/08/18/75/205081875.db2.gz	KMBKQDKTIYJZPP-UHFFFAOYSA-N	1	1	384.480	4.094	1	0		GIAFMO
O=C(C[NH+]1CCCC1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1	ZINC000049068957	205125144	/nfs/dbraw/zinc/12/51/44/205125144.db2.gz	TURBNQICVXMJGS-UHFFFAOYSA-N	1	1	388.393	4.283	1	0		GIAFMO
C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccc2ccccc2c1	ZINC000061930614	205184552	/nfs/dbraw/zinc/18/45/52/205184552.db2.gz	SMUQZWLJZBTBJG-DEOSSOPVSA-N	1	1	388.467	4.214	3	0		GIAFMO
C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccc2ccccc2c1	ZINC000061930614	205184556	/nfs/dbraw/zinc/18/45/56/205184556.db2.gz	SMUQZWLJZBTBJG-DEOSSOPVSA-N	1	1	388.467	4.214	3	0		GIAFMO
Cn1ccc(-c2ccc3c(c2)[C@H](N2CC[NH+](C)CC2)Cc2ccccc2S3)n1	ZINC000064548985	222074197	/nfs/dbraw/zinc/07/41/97/222074197.db2.gz	WASDQAJQWQDOQW-OAQYLSRUSA-N	1	1	390.556	4.083	1	0		GIAFMO
O=C1NCCN1CC[N@H+]1CCC[C@H](c2c3ccccc3[nH]c2-c2ccccc2)C1	ZINC000013862734	207002902	/nfs/dbraw/zinc/00/29/02/207002902.db2.gz	XTOXNGQJKCDLHX-IBGZPJMESA-N	1	1	388.515	4.040	1	0		GIAFMO
CCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1	ZINC000022939509	207266532	/nfs/dbraw/zinc/26/65/32/207266532.db2.gz	IQBKPSJJCJIRLC-XMMPIXPASA-N	1	1	393.575	4.286	1	0		GIAFMO
CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1	ZINC000028236442	207338244	/nfs/dbraw/zinc/33/82/44/207338244.db2.gz	RWJCXWVQRSSDLR-IBGZPJMESA-N	1	1	376.522	4.031	1	0		GIAFMO
CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1	ZINC000028236442	207338248	/nfs/dbraw/zinc/33/82/48/207338248.db2.gz	RWJCXWVQRSSDLR-IBGZPJMESA-N	1	1	376.522	4.031	1	0		GIAFMO
CCN1CC[N@H+](CCOc2ccccc2)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21	ZINC000027305245	207324212	/nfs/dbraw/zinc/32/42/12/207324212.db2.gz	DQXJJEZPKISUDR-ILBGXUMGSA-N	1	1	389.543	4.480	1	0		GIAFMO
CCN1CC[N@@H+](CCOc2ccccc2)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21	ZINC000027305245	207324215	/nfs/dbraw/zinc/32/42/15/207324215.db2.gz	DQXJJEZPKISUDR-ILBGXUMGSA-N	1	1	389.543	4.480	1	0		GIAFMO
C[N@H+]1CCC[C@H]1Cc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccccc12	ZINC000028525877	207343734	/nfs/dbraw/zinc/34/37/34/207343734.db2.gz	HGVTZDORLFUYHV-KRWDZBQOSA-N	1	1	388.920	4.168	1	0		GIAFMO
C[N@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1	ZINC000073197061	208034951	/nfs/dbraw/zinc/03/49/51/208034951.db2.gz	JCRCSNBABSGPEN-NSCUHMNNSA-N	1	1	387.487	4.240	1	0		GIAFMO
c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3[C@H](C3CC[NH2+]CC3)N2)nc1-c1ccccc1	ZINC000084672112	208095881	/nfs/dbraw/zinc/09/58/81/208095881.db2.gz	RAJFOGCRMAERDF-GGAORHGYSA-N	1	1	397.526	4.486	1	0		GIAFMO
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21CC[C@]2(OC(C)(C)C(C)(C)[C@@H]2C1)[C@@H]3O5	ZINC000084703923	208097820	/nfs/dbraw/zinc/09/78/20/208097820.db2.gz	FTOZVQKYOSPMCR-DHBKHMDTSA-N	1	1	395.543	4.025	1	0		GIAFMO
C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1	ZINC000096929233	208329846	/nfs/dbraw/zinc/32/98/46/208329846.db2.gz	AXJXHEHQTGYGND-FDDCHVKYSA-N	1	1	392.547	4.068	1	0		GIAFMO
CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CC[N@@H+](CCc2cccs2)C[C@@H]1C	ZINC000026728602	207318179	/nfs/dbraw/zinc/31/81/79/207318179.db2.gz	LZKVXBQOOPUNCP-WAOWUJCRSA-N	1	1	386.561	4.069	1	0		GIAFMO
C[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccc([N+]#N)cc1	ZINC000026499402	207314266	/nfs/dbraw/zinc/31/42/66/207314266.db2.gz	UAVZMUHWDQZXRS-OAHLLOKOSA-O	1	1	396.902	4.314	1	0		GIAFMO
C[N@H+]1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12	ZINC000028525792	207343662	/nfs/dbraw/zinc/34/36/62/207343662.db2.gz	LAQSHBWWRPPHMF-AWEZNQCLSA-N	1	1	394.949	4.230	1	0		GIAFMO
C1=C(c2ccc(CCN3CCOCC3)cc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000029128148	207354661	/nfs/dbraw/zinc/35/46/61/207354661.db2.gz	UNRGMCLRRBQICS-AHWVRZQESA-N	1	1	388.555	4.097	1	0		GIAFMO
O=C(N[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1)c1ccc(F)cc1F	ZINC000045227223	207649603	/nfs/dbraw/zinc/64/96/03/207649603.db2.gz	RUFBNOWGXZBOFM-AWEZNQCLSA-N	1	1	387.817	4.175	1	0		GIAFMO
CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1	ZINC000084670371	208095204	/nfs/dbraw/zinc/09/52/04/208095204.db2.gz	HEVYJRZHYSRHDM-QPXUXIHVSA-N	1	1	376.544	4.453	1	0		GIAFMO
C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1	ZINC000096929235	208329395	/nfs/dbraw/zinc/32/93/95/208329395.db2.gz	SMGGVEANRVALLD-GHTZIAJQSA-N	1	1	392.547	4.068	1	0		GIAFMO
COc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([N@H+]4CCC[C@@H]4C)C3)cc2)cc1	ZINC000096929227	208329623	/nfs/dbraw/zinc/32/96/23/208329623.db2.gz	GAHOQBHYBQXWSW-LAUBAEHRSA-N	1	1	379.504	4.011	1	0		GIAFMO
CCC[N@@H+](C/C=C/I)[C@@H]1CCc2cccc(OC)c2C1	ZINC000013833400	207002269	/nfs/dbraw/zinc/00/22/69/207002269.db2.gz	NBAJLSFGMWTKML-HYJLXUOHSA-N	1	1	385.289	4.213	1	0		GIAFMO
CCC[N@@H+](C/C=C/I)[C@H]1CCc2cccc(OC)c2C1	ZINC000013833401	207002883	/nfs/dbraw/zinc/00/28/83/207002883.db2.gz	NBAJLSFGMWTKML-RNOHYWCBSA-N	1	1	385.289	4.213	1	0		GIAFMO
C[C@H]1[C@H]([NH+]2CCCC2)Oc2cc3c(cc2[C@@H]1c1ccc(N(C)C)cc1)OCO3	ZINC000016958572	207080532	/nfs/dbraw/zinc/08/05/32/207080532.db2.gz	VEINRYGCKDRNLM-AIYSXCBHSA-N	1	1	380.488	4.064	1	0		GIAFMO
COc1ccc([C@H]2C=CC[N@@H+](CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1	ZINC000018101164	207092270	/nfs/dbraw/zinc/09/22/70/207092270.db2.gz	IRRUMAHLWIUQQB-HSZRJFAPSA-N	1	1	396.506	4.432	3	0		GIAFMO
O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2	ZINC000022938841	207266547	/nfs/dbraw/zinc/26/65/47/207266547.db2.gz	NFSPGABTRZUJES-LQNDFPKKSA-N	1	1	394.534	4.172	1	0		GIAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(C)cc1)c1ccc(C)cc1)[N@H+]2C	ZINC000027206529	207323937	/nfs/dbraw/zinc/32/39/37/207323937.db2.gz	BRDDKFGREBLJEO-GSPCLOLRSA-N	1	1	393.527	4.434	1	0		GIAFMO
COc1ccc(C(=O)c2c(C)n(C[C@@H]3CSCC[N@H+]3C)c3ccccc32)cc1	ZINC000026272644	207311849	/nfs/dbraw/zinc/31/18/49/207311849.db2.gz	LNTRJQSUSFTUQB-GOSISDBHSA-N	1	1	394.540	4.237	1	0		GIAFMO
CN1C[C@@H](CC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)Oc2ncccc2C1=S	ZINC000026279610	207312028	/nfs/dbraw/zinc/31/20/28/207312028.db2.gz	XJBVHMJFSVNXIB-LJQANCHMSA-N	1	1	397.588	4.270	1	0		GIAFMO
CC[C@@H](C)[N@H+](C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC	ZINC000027709679	207330379	/nfs/dbraw/zinc/33/03/79/207330379.db2.gz	YNGZJSALRCLELM-GJJHYRHESA-N	1	1	380.960	4.091	1	0		GIAFMO
C[N@@H+]1CC=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1	ZINC000028130446	207334929	/nfs/dbraw/zinc/33/49/29/207334929.db2.gz	FPRZVIQCJRSZQP-UHFFFAOYSA-N	1	1	386.904	4.251	1	0		GIAFMO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1[N@H+](C)CCN(C)C	ZINC000028243563	207338048	/nfs/dbraw/zinc/33/80/48/207338048.db2.gz	GQMCGDJMEUHAGU-QZTJIDSGSA-N	1	1	386.367	4.151	1	0		GIAFMO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1[N@@H+](C)CCN(C)C	ZINC000028243563	207338050	/nfs/dbraw/zinc/33/80/50/207338050.db2.gz	GQMCGDJMEUHAGU-QZTJIDSGSA-N	1	1	386.367	4.151	1	0		GIAFMO
O=Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cc1	ZINC000028389758	207340465	/nfs/dbraw/zinc/34/04/65/207340465.db2.gz	BHDBAXKIQHUACJ-XMMPIXPASA-N	1	1	384.479	4.170	1	0		GIAFMO
CC[N@H+]1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000031851168	207386596	/nfs/dbraw/zinc/38/65/96/207386596.db2.gz	LFQIXZHWOHBULT-UYAOXDASSA-N	1	1	378.299	4.406	1	0		GIAFMO
NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCc3ccccc32)c1	ZINC000101366420	208391538	/nfs/dbraw/zinc/39/15/38/208391538.db2.gz	YLGCOVVLUSGKGA-MHXAIHSWSA-N	1	1	376.500	4.237	1	0		GIAFMO
O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)nc1	ZINC000103242293	136190937	/nfs/dbraw/zinc/19/09/37/136190937.db2.gz	YEIQCMOYDGMRQH-UHFFFAOYSA-N	1	1	391.515	4.344	1	0		GIAFMO
CCc1[nH+]ccn1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1CC(C)C	ZINC000013596579	206983575	/nfs/dbraw/zinc/98/35/75/206983575.db2.gz	XJZYNLQJMCZYRI-FQEVSTJZSA-N	1	1	378.520	4.489	3	0		GIAFMO
COc1ccc([C@@H](N)[C@@H]([NH3+])c2c(Cl)cc(OC)cc2Cl)c(Cl)c1	ZINC000022931051	207265481	/nfs/dbraw/zinc/26/54/81/207265481.db2.gz	VTAKBMQYRCVUKQ-CVEARBPZSA-N	1	1	375.683	4.364	1	0		GIAFMO
Brc1ccc2ccn(CCN3CCC[N@H+](C4CCCC4)CC3)c2c1	ZINC000022939958	207267054	/nfs/dbraw/zinc/26/70/54/207267054.db2.gz	WGMZLURHTWILIL-UHFFFAOYSA-N	1	1	390.369	4.354	1	0		GIAFMO
CC[N@H+]1CC[C@H]2[C@H](c3ccc(COC(=O)NC)cc3)c3cc(C)ccc3[C@H]2C1	ZINC000027863386	207331658	/nfs/dbraw/zinc/33/16/58/207331658.db2.gz	SPFFQDIFNJWWBQ-MZYLBHOOSA-N	1	1	378.516	4.422	1	0		GIAFMO
OCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1	ZINC000028008633	207333972	/nfs/dbraw/zinc/33/39/72/207333972.db2.gz	VZFLXULHCQDZCW-PZJWPPBQSA-N	1	1	391.342	4.180	1	0		GIAFMO
c1ccc(Cc2[nH]c3ccc(Nc4ncnc5nn6ccccc6c54)cc3[nH+]2)cc1	ZINC000028138084	207335476	/nfs/dbraw/zinc/33/54/76/207335476.db2.gz	IVNIGGUBKAEFHI-UHFFFAOYSA-N	1	1	391.438	4.488	1	0		GIAFMO
C[N@@H+]1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc32)CC1	ZINC000034805983	207474184	/nfs/dbraw/zinc/47/41/84/207474184.db2.gz	WLVQDSCVFJYKIP-UHFFFAOYSA-N	1	1	390.512	4.014	1	0		GIAFMO
O=C1c2ccc(F)cc2C[C@H]1CC[N@H+]1CCCN(c2ccc(Cl)cc2)CC1	ZINC000073199172	208034483	/nfs/dbraw/zinc/03/44/83/208034483.db2.gz	TUSPVTWVRDALHT-MRXNPFEDSA-N	1	1	386.898	4.437	1	0		GIAFMO
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21CC[C@]2(OC(C)(C)C(C)(C)[C@H]2C1)[C@@H]3O5	ZINC000084758956	208097878	/nfs/dbraw/zinc/09/78/78/208097878.db2.gz	FTOZVQKYOSPMCR-CVJYJHGOSA-N	1	1	395.543	4.025	1	0		GIAFMO
COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1	ZINC000001370585	206376069	/nfs/dbraw/zinc/37/60/69/206376069.db2.gz	OVEFVKDQJZTAFY-KIEZTHHASA-N	1	1	390.527	4.410	1	0		GIAFMO
O=C(N[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2	ZINC000026495767	207315247	/nfs/dbraw/zinc/31/52/47/207315247.db2.gz	BDIRBTIHOFXWTG-FCSDKFEESA-N	1	1	386.967	4.289	1	0		GIAFMO
CC[NH+](CC)Cc1nc(=O)c2ccccc2n1-c1cccc(C(F)(F)F)c1	ZINC000027652767	207328754	/nfs/dbraw/zinc/32/87/54/207328754.db2.gz	URWMRDGDKOASIK-UHFFFAOYSA-N	1	1	375.394	4.246	1	0		GIAFMO
Nc1nc(N)c2cc(CN(N=O)c3ccc(Cl)c4ccccc43)ccc2[nH+]1	ZINC000029472817	207362453	/nfs/dbraw/zinc/36/24/53/207362453.db2.gz	SMQKIOQQYLLWKJ-UHFFFAOYSA-N	1	1	378.823	4.289	1	0		GIAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1[C@H](C)O	ZINC000058566048	136155547	/nfs/dbraw/zinc/15/55/47/136155547.db2.gz	VIFJNFUXJIBEDW-WMZOPIPTSA-N	1	1	390.531	4.480	1	0		GIAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1[C@H](C)O	ZINC000058566048	136155548	/nfs/dbraw/zinc/15/55/48/136155548.db2.gz	VIFJNFUXJIBEDW-WMZOPIPTSA-N	1	1	390.531	4.480	1	0		GIAFMO
Fc1ccc(C2(CCC[N@@H+]3CCc4[nH]c5cc(F)ccc5c4C3)OCCO2)cc1	ZINC000001640512	206389125	/nfs/dbraw/zinc/38/91/25/206389125.db2.gz	ARZYSJSNEBIXCS-UHFFFAOYSA-N	1	1	398.453	4.484	1	0		GIAFMO
Fc1ccc(C2(CCC[N@H+]3CCc4[nH]c5cc(F)ccc5c4C3)OCCO2)cc1	ZINC000001640512	206389130	/nfs/dbraw/zinc/38/91/30/206389130.db2.gz	ARZYSJSNEBIXCS-UHFFFAOYSA-N	1	1	398.453	4.484	1	0		GIAFMO
C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1	ZINC000013677476	206988440	/nfs/dbraw/zinc/98/84/40/206988440.db2.gz	VXDYZTDYUKVXNJ-HKUYNNGSSA-N	1	1	380.985	4.121	1	0		GIAFMO
Clc1cccc(N2CC[NH+](Cc3cnn4c3ccc3ccccc34)CC2)c1	ZINC000013862508	207002478	/nfs/dbraw/zinc/00/24/78/207002478.db2.gz	MVCCRMZGECOLRZ-UHFFFAOYSA-N	1	1	376.891	4.463	1	0		GIAFMO
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)[N@H+](CC2CC2)CC[C@@]314	ZINC000026579314	207316349	/nfs/dbraw/zinc/31/63/49/207316349.db2.gz	IYMLCJZYVKMKSH-KBCVXPAYSA-N	1	1	398.506	4.458	1	0		GIAFMO
CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)C(=O)C1(C)C	ZINC000027746556	207330634	/nfs/dbraw/zinc/33/06/34/207330634.db2.gz	HGCNZOPXONAAQN-GMCONJOTSA-N	1	1	395.543	4.073	1	0		GIAFMO
Cc1cc([C@@H](c2ccc(OCc3ccccc3)cc2)N2CC[NH+](C)CC2)sn1	ZINC000028248928	207338106	/nfs/dbraw/zinc/33/81/06/207338106.db2.gz	FDLGIFITIZZEHO-HSZRJFAPSA-N	1	1	393.556	4.367	1	0		GIAFMO
Cc1cc([C@H](c2ccc(OCc3ccccc3)cc2)N2CC[NH+](C)CC2)sn1	ZINC000028248922	207338401	/nfs/dbraw/zinc/33/84/01/207338401.db2.gz	FDLGIFITIZZEHO-QHCPKHFHSA-N	1	1	393.556	4.367	1	0		GIAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(C(C)=O)cc3)cc1)[N@H+]2C	ZINC000029477593	207362337	/nfs/dbraw/zinc/36/23/37/207362337.db2.gz	QOGDDOWLBRAWFT-WBADGQHESA-N	1	1	377.484	4.296	1	0		GIAFMO
CC[N@H+]1CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000001633174	206387124	/nfs/dbraw/zinc/38/71/24/206387124.db2.gz	LFQIXZHWOHBULT-QUCCMNQESA-N	1	1	378.299	4.406	1	0		GIAFMO
CC[N@H+]1CCc2cc(OC)cc(Br)c2[C@H]1Cc1ccccc1O	ZINC000013805167	207000550	/nfs/dbraw/zinc/00/05/50/207000550.db2.gz	TYEIZCYTFJEVNL-QGZVFWFLSA-N	1	1	376.294	4.325	1	0		GIAFMO
O=S1(=O)c2cccc3cccc(c23)N1CC[N@H+]1CC=C(c2ccccc2)CC1	ZINC000013823498	207001156	/nfs/dbraw/zinc/00/11/56/207001156.db2.gz	GGWHOXVBCOIHCB-UHFFFAOYSA-N	1	1	390.508	4.138	1	0		GIAFMO
O=S1(=O)c2cccc3cccc(c23)N1CC[N@@H+]1CC=C(c2ccccc2)CC1	ZINC000013823498	207001161	/nfs/dbraw/zinc/00/11/61/207001161.db2.gz	GGWHOXVBCOIHCB-UHFFFAOYSA-N	1	1	390.508	4.138	1	0		GIAFMO
CCN1CC[N@H+](CC)[C@H]2CCn3c4ccc(Br)cc4c(C)c3[C@@H]21	ZINC000027316745	207323264	/nfs/dbraw/zinc/32/32/64/207323264.db2.gz	ONHHXZOXMRUAII-PKOBYXMFSA-N	1	1	376.342	4.183	1	0		GIAFMO
CCN1CC[N@@H+](CC)[C@H]2CCn3c4ccc(Br)cc4c(C)c3[C@@H]21	ZINC000027316745	207323268	/nfs/dbraw/zinc/32/32/68/207323268.db2.gz	ONHHXZOXMRUAII-PKOBYXMFSA-N	1	1	376.342	4.183	1	0		GIAFMO
c1ccc2c(c1)cccc2CCO[C@@H]1CCCC[C@H]1[N@H+]1CCC2(C1)OCCO2	ZINC000028653762	207346749	/nfs/dbraw/zinc/34/67/49/207346749.db2.gz	AGODJIYXHHMETP-DHIUTWEWSA-N	1	1	381.516	4.159	1	0		GIAFMO
C[N@H+]1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12	ZINC000028121735	207335516	/nfs/dbraw/zinc/33/55/16/207335516.db2.gz	UKKAXWAHUHWUQF-QGZVFWFLSA-N	1	1	388.920	4.168	1	0		GIAFMO
O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cc1	ZINC000028389763	207341073	/nfs/dbraw/zinc/34/10/73/207341073.db2.gz	BHDBAXKIQHUACJ-DEOSSOPVSA-N	1	1	384.479	4.170	1	0		GIAFMO
O=c1[nH]c(C2=C[C@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)CC2)nc2ccccc12	ZINC000028954697	207351669	/nfs/dbraw/zinc/35/16/69/207351669.db2.gz	QXUCMOLLZKKAIW-HXUWFJFHSA-N	1	1	387.458	4.397	1	0		GIAFMO
Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)[NH+]1CCCC1	ZINC000095570675	208234587	/nfs/dbraw/zinc/23/45/87/208234587.db2.gz	RLCQYNWRSNFRBI-JOCHJYFZSA-N	1	1	384.487	4.013	3	0		GIAFMO
C[C@@H]1[C@H]([NH+]2CCCC2)Oc2cc3c(cc2[C@@H]1c1ccc(N(C)C)cc1)OCO3	ZINC000017250836	210207466	/nfs/dbraw/zinc/20/74/66/210207466.db2.gz	VEINRYGCKDRNLM-UQDCGMOVSA-N	1	1	380.488	4.064	1	0		GIAFMO
CC[N@@H+]1CCc2cc(Br)cc(OC)c2[C@@H]1Cc1ccccc1O	ZINC000013805157	210091324	/nfs/dbraw/zinc/09/13/24/210091324.db2.gz	FIENLMYHKXXOLG-INIZCTEOSA-N	1	1	376.294	4.325	1	0		GIAFMO
CC[N@H+]1CCc2cc(Br)cc(OC)c2[C@@H]1Cc1ccccc1O	ZINC000013805157	210091329	/nfs/dbraw/zinc/09/13/29/210091329.db2.gz	FIENLMYHKXXOLG-INIZCTEOSA-N	1	1	376.294	4.325	1	0		GIAFMO
CCCCOc1cccc2c1[C@]13CC[N@@H+](CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3	ZINC000013580321	210069552	/nfs/dbraw/zinc/06/95/52/210069552.db2.gz	ONTSMVMHZIYPME-QLBJFCOMSA-N	1	1	397.559	4.282	1	0		GIAFMO
C[C@@H](c1ccccc1)[N@@H+]1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1	ZINC000013492045	210063695	/nfs/dbraw/zinc/06/36/95/210063695.db2.gz	JSMICUILTXDMCV-HNNXBMFYSA-N	1	1	388.446	4.360	1	0		GIAFMO
C[C@@H](c1ccccc1)[N@H+]1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1	ZINC000013492045	210063698	/nfs/dbraw/zinc/06/36/98/210063698.db2.gz	JSMICUILTXDMCV-HNNXBMFYSA-N	1	1	388.446	4.360	1	0		GIAFMO
CC[N@H+]1CC(=Cc2ccccc2F)C2=NC(=S)N[C@H](c3ccccc3F)C2C1	ZINC000096282931	211331449	/nfs/dbraw/zinc/33/14/49/211331449.db2.gz	IQROGLXWSXUNFD-RKZJEGACSA-N	1	1	397.494	4.157	1	0		GIAFMO
CC[N@@H+]1CC(=Cc2ccccc2F)C2=NC(=S)N[C@H](c3ccccc3F)C2C1	ZINC000096282931	211331452	/nfs/dbraw/zinc/33/14/52/211331452.db2.gz	IQROGLXWSXUNFD-RKZJEGACSA-N	1	1	397.494	4.157	1	0		GIAFMO
COc1c(C)c[nH+]c(Cn2cc(-c3ccccc3)c3c2nc(N)nc3Cl)c1C	ZINC000095562118	211276703	/nfs/dbraw/zinc/27/67/03/211276703.db2.gz	AMAPWHCRXIPWMV-UHFFFAOYSA-N	1	1	393.878	4.403	1	0		GIAFMO
COc1ccccc1N1CCN(Cc2cc(C[NH+](C)C)c3cccccc2-3)CC1	ZINC000095559491	136181852	/nfs/dbraw/zinc/18/18/52/136181852.db2.gz	HRHSURDPAJFNRA-UHFFFAOYSA-N	1	1	389.543	4.184	1	0		GIAFMO
COc1ccc([C@@H]2C=CC[N@@H+](CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000018128133	210214831	/nfs/dbraw/zinc/21/48/31/210214831.db2.gz	FZDZRMOMSMXZRC-QHCPKHFHSA-N	1	1	396.506	4.432	3	0		GIAFMO
COc1ccc([C@@H]2C=CC[N@@H+](CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000018119293	210214881	/nfs/dbraw/zinc/21/48/81/210214881.db2.gz	YFMFCAMAWSFOKK-QHCPKHFHSA-N	1	1	394.490	4.186	3	0		GIAFMO
CC[C@@H]1[C@H]([NH+]2CCCC2)Oc2cc3c(cc2[C@@H]1c1cccc(OC)c1O)OCO3	ZINC000017250816	210207998	/nfs/dbraw/zinc/20/79/98/210207998.db2.gz	UWMPNVWZHCIJMI-OAJKGFPOSA-N	1	1	397.471	4.102	1	0		GIAFMO
C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1	ZINC000013677522	210077329	/nfs/dbraw/zinc/07/73/29/210077329.db2.gz	VXDYZTDYUKVXNJ-PKOBYXMFSA-N	1	1	380.985	4.121	1	0		GIAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccccc3)CC2)nc2c(Cl)cccc12	ZINC000013581550	210068815	/nfs/dbraw/zinc/06/88/15/210068815.db2.gz	RTHFDNGPDMXTQU-UHFFFAOYSA-N	1	1	379.891	4.298	1	0		GIAFMO
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccccc2)cnc1[C@@H]3O5	ZINC000013559699	210066704	/nfs/dbraw/zinc/06/67/04/210066704.db2.gz	GRNLHIJZMLLROK-RXJAJXMTSA-N	1	1	396.490	4.258	1	0		GIAFMO
CCCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3[N@H+](C)CC2)OCO4	ZINC000072118080	211070039	/nfs/dbraw/zinc/07/00/39/211070039.db2.gz	ASLWZHMMBBLTEM-QGZVFWFLSA-N	1	1	381.472	4.355	1	0		GIAFMO
CCCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3[N@@H+](C)CC2)OCO4	ZINC000072118080	211070041	/nfs/dbraw/zinc/07/00/41/211070041.db2.gz	ASLWZHMMBBLTEM-QGZVFWFLSA-N	1	1	381.472	4.355	1	0		GIAFMO
c1c[nH+]c(C2CCN(c3ncc(-c4ccc5c(c4)OCCCO5)s3)CC2)[nH]1	ZINC000066122739	211002691	/nfs/dbraw/zinc/00/26/91/211002691.db2.gz	MIXAGCVUQSGXFZ-UHFFFAOYSA-N	1	1	382.489	4.079	1	0		GIAFMO
Cc1c(C[NH+]2CCN(C(=O)Nc3cccnc3)CC2)sc2ccc(C)cc12	ZINC000043059177	210805041	/nfs/dbraw/zinc/80/50/41/210805041.db2.gz	DBHXNWZBEPGHEW-UHFFFAOYSA-N	1	1	380.517	4.263	1	0		GIAFMO
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F	ZINC000034802054	581100301	/nfs/dbraw/zinc/10/03/01/581100301.db2.gz	DUKSLEMXBDETTE-SFHVURJKSA-N	1	1	388.405	4.309	1	0		GIAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000013470040	210062765	/nfs/dbraw/zinc/06/27/65/210062765.db2.gz	NNRPWFPWLGYDNQ-OYRHEFFESA-N	1	1	382.454	4.353	1	0		GIAFMO
CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCC[N@@H+]1C[C@@H](C)N[C@@H](C)C1	ZINC000073168499	211125559	/nfs/dbraw/zinc/12/55/59/211125559.db2.gz	OLMQTOGVUOQEDF-HDICACEKSA-N	1	1	393.531	4.044	1	0		GIAFMO
CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000073168499	211125562	/nfs/dbraw/zinc/12/55/62/211125562.db2.gz	OLMQTOGVUOQEDF-HDICACEKSA-N	1	1	393.531	4.044	1	0		GIAFMO
CCCC[N@H+]1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2	ZINC000072118897	211069520	/nfs/dbraw/zinc/06/95/20/211069520.db2.gz	KYGNMEFUIYHKAE-QGZVFWFLSA-N	1	1	381.472	4.355	1	0		GIAFMO
Clc1ccc(-c2[nH]nc(N3CC[N@H+]4CCC[C@H]4C3)c2-c2ccncc2)cc1	ZINC000014970891	210135389	/nfs/dbraw/zinc/13/53/89/210135389.db2.gz	AKMUGCMCOYELTD-SFHVURJKSA-N	1	1	379.895	4.077	1	0		GIAFMO
CC(=O)c1c(C)[nH+]c(C)cc1OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013826878	210094081	/nfs/dbraw/zinc/09/40/81/210094081.db2.gz	LHXAGPCKQWWRNE-UHFFFAOYSA-N	1	1	399.454	4.327	1	0		GIAFMO
O=c1nc2c(c3[nH]c(-c4ccccc4F)cn31)C[N@@H+](CC1CCCCC1)CC2	ZINC000100928844	211394623	/nfs/dbraw/zinc/39/46/23/211394623.db2.gz	MNLXGBVUKOEYDJ-UHFFFAOYSA-N	1	1	380.467	4.179	1	0		GIAFMO
c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3[C@@H](C3CC[NH2+]CC3)N2)nc1-c1ccccc1	ZINC000084672113	211172455	/nfs/dbraw/zinc/17/24/55/211172455.db2.gz	RAJFOGCRMAERDF-FYYLOGMGSA-N	1	1	397.526	4.486	1	0		GIAFMO
CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CC[N@@H+](C3CCCC3)C2)CC1	ZINC000073197843	211125627	/nfs/dbraw/zinc/12/56/27/211125627.db2.gz	AMHQJYVBDKPZSA-UHFFFAOYSA-N	1	1	379.548	4.351	1	0		GIAFMO
COc1cc(-c2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC	ZINC000072181562	211081579	/nfs/dbraw/zinc/08/15/79/211081579.db2.gz	UACPQLTZPMDTMX-JKSUJKDBSA-N	1	1	386.492	4.380	1	0		GIAFMO
CCCC[N@H+]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2	ZINC000072118896	211069023	/nfs/dbraw/zinc/06/90/23/211069023.db2.gz	KYGNMEFUIYHKAE-KRWDZBQOSA-N	1	1	381.472	4.355	1	0		GIAFMO
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013555466	210066567	/nfs/dbraw/zinc/06/65/67/210066567.db2.gz	IYMLCJZYVKMKSH-LZQWRSJTSA-N	1	1	398.506	4.458	1	0		GIAFMO
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C[NH+]1CCCCC1	ZINC000013533568	210064767	/nfs/dbraw/zinc/06/47/67/210064767.db2.gz	YKJROQMJGYIPRF-UHFFFAOYSA-N	1	1	378.513	4.070	1	0		GIAFMO
COc1cccc([C@@]23CCC[C@@H](C2)[N@@H+](C)C[C@@H]3OC(=O)c2ccccc2)c1OC	ZINC000001657966	209334694	/nfs/dbraw/zinc/33/46/94/209334694.db2.gz	BEGZOARTFIXUBE-NSXLHWASSA-N	1	1	395.499	4.055	1	0		GIAFMO
CCn1c2ccccc2n([C@@H]2CC[N@@H+](CC3CCCCCCC3)C[C@@H]2CO)c1=O	ZINC000096306272	209239343	/nfs/dbraw/zinc/23/93/43/209239343.db2.gz	MBGVUMXBUGIIBQ-NHCUHLMSSA-N	1	1	399.579	4.039	1	0		GIAFMO
Cc1ccc(F)cc1C(=O)Nc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)cc1	ZINC000096929241	211352516	/nfs/dbraw/zinc/35/25/16/211352516.db2.gz	VRGKQMUSWKTAOP-LAUBAEHRSA-N	1	1	381.495	4.449	1	0		GIAFMO
Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCC[N@@H+](CC4CC4)C[C@@H]23)cc1	ZINC000095876973	211282309	/nfs/dbraw/zinc/28/23/09/211282309.db2.gz	VXYWKBKVONATQO-KKUQBAQOSA-N	1	1	390.571	4.297	1	0		GIAFMO
Cc1ccccc1-c1ccc([C@H]2[C@H](CO)[N@@H+]3CCCCN(CC4CC4)C[C@@H]23)cc1	ZINC000095876973	211282311	/nfs/dbraw/zinc/28/23/11/211282311.db2.gz	VXYWKBKVONATQO-KKUQBAQOSA-N	1	1	390.571	4.297	1	0		GIAFMO
Cc1ccccc1-c1ccc([C@H]2[C@H](CO)[N@H+]3CCCCN(CC4CC4)C[C@@H]23)cc1	ZINC000095876973	211282312	/nfs/dbraw/zinc/28/23/12/211282312.db2.gz	VXYWKBKVONATQO-KKUQBAQOSA-N	1	1	390.571	4.297	1	0		GIAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1[C@@H](C)O	ZINC000169354962	136197281	/nfs/dbraw/zinc/19/72/81/136197281.db2.gz	VIFJNFUXJIBEDW-FUHWJXTLSA-N	1	1	390.531	4.480	1	0		GIAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1[C@@H](C)O	ZINC000169354962	136197282	/nfs/dbraw/zinc/19/72/82/136197282.db2.gz	VIFJNFUXJIBEDW-FUHWJXTLSA-N	1	1	390.531	4.480	1	0		GIAFMO
Cc1[nH]nc2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4cccc(Cl)c4)s3)cc12	ZINC000049033594	581091385	/nfs/dbraw/zinc/09/13/85/581091385.db2.gz	HHNFRVFYHNQUPY-HNNXBMFYSA-N	1	1	398.923	4.025	1	0		GIAFMO
CC[N@H+]1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13	ZINC000013797328	210091238	/nfs/dbraw/zinc/09/12/38/210091238.db2.gz	FMNRIXJRUJNSBN-HCYUJWNOSA-N	1	1	388.511	4.185	1	0		GIAFMO
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC	ZINC000013590279	210070221	/nfs/dbraw/zinc/07/02/21/210070221.db2.gz	GOTLBDMBTPMJPE-WZOHSFFVSA-N	1	1	396.575	4.178	1	0		GIAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccccc3)CC2)nc2cc(Cl)ccc21	ZINC000013581547	210068336	/nfs/dbraw/zinc/06/83/36/210068336.db2.gz	LDRFPEHHPVCPGU-UHFFFAOYSA-N	1	1	379.891	4.298	1	0		GIAFMO
c1ccc(-c2cc(-c3ccccc3)[n+](-c3nn[nH]n3)c(-c3ccccc3)c2)cc1	ZINC000013472134	209235559	/nfs/dbraw/zinc/23/55/59/209235559.db2.gz	ZVVJXYMLUUPOHV-UHFFFAOYSA-N	1	1	376.443	4.477	1	0		GIAFMO
C[N@H+]1CCC[C@@H]1Cn1nc(Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O	ZINC000071318080	211045753	/nfs/dbraw/zinc/04/57/53/211045753.db2.gz	DXZJJDOMGLPHDI-HXUWFJFHSA-N	1	1	389.543	4.379	1	0		GIAFMO
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC	ZINC000019462401	210252972	/nfs/dbraw/zinc/25/29/72/210252972.db2.gz	GOTLBDMBTPMJPE-ZYLNGJIFSA-N	1	1	396.575	4.178	1	0		GIAFMO
COc1cccc2c(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cn(CC3CCCCC3)c21	ZINC000013975397	210097991	/nfs/dbraw/zinc/09/79/91/210097991.db2.gz	DMYGECJTVMCGEP-HDICACEKSA-N	1	1	397.563	4.395	1	0		GIAFMO
COc1ccc(CC[NH2+][C@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC	ZINC000013590281	210070606	/nfs/dbraw/zinc/07/06/06/210070606.db2.gz	GOTLBDMBTPMJPE-RLSLOFABSA-N	1	1	396.575	4.178	1	0		GIAFMO
Cc1ccc(F)cc1C(=O)Nc1ccc(N2C[C@@H]3C[C@@H]4CCC[N@H+]4[C@@H]3C2)cc1C	ZINC000096922472	211350301	/nfs/dbraw/zinc/35/03/01/211350301.db2.gz	OZIJFYRIQYIVKS-KPDCDPCYSA-N	1	1	393.506	4.368	1	0		GIAFMO
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1	ZINC000042920677	210805283	/nfs/dbraw/zinc/80/52/83/210805283.db2.gz	NAAVWXMUUSRPCW-UHFFFAOYSA-N	1	1	376.287	4.251	1	0		GIAFMO
Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCC[N@H+]2C	ZINC000028253541	221672991	/nfs/dbraw/zinc/67/29/91/221672991.db2.gz	FDLBGWVLLWZVNF-PKOBYXMFSA-N	1	1	379.342	4.237	1	0		GIAFMO
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1	ZINC000026379727	581101030	/nfs/dbraw/zinc/10/10/30/581101030.db2.gz	WLDWWFXJFODOTC-UHFFFAOYSA-N	1	1	377.835	4.122	1	0		GIAFMO
CC[N@H+]1CC(=Cc2ccccc2F)C2=NC(=S)N[C@@H](c3ccccc3F)C2C1	ZINC000096282930	211330682	/nfs/dbraw/zinc/33/06/82/211330682.db2.gz	IQROGLXWSXUNFD-GLHYLFFDSA-N	1	1	397.494	4.157	1	0		GIAFMO
CC[N@@H+]1CC(=Cc2ccccc2F)C2=NC(=S)N[C@@H](c3ccccc3F)C2C1	ZINC000096282930	211330683	/nfs/dbraw/zinc/33/06/83/211330683.db2.gz	IQROGLXWSXUNFD-GLHYLFFDSA-N	1	1	397.494	4.157	1	0		GIAFMO
O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21)C1CCCC1	ZINC000084668441	211172622	/nfs/dbraw/zinc/17/26/22/211172622.db2.gz	BHDAQBGVRSBNDU-UHOSZYNNSA-N	1	1	380.454	4.222	1	0		GIAFMO
C[C@@H]1CCC[N@H+]1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1	ZINC000072316410	211090494	/nfs/dbraw/zinc/09/04/94/211090494.db2.gz	KTXVIHVCQVKSMA-QGZVFWFLSA-N	1	1	377.463	4.065	1	0		GIAFMO
CC(C)C[N@@H+](C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1	ZINC000072114372	211070517	/nfs/dbraw/zinc/07/05/17/211070517.db2.gz	HWXVHNVQBIRMDV-UHFFFAOYSA-N	1	1	386.561	4.226	1	0		GIAFMO
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F	ZINC000034802055	210664920	/nfs/dbraw/zinc/66/49/20/210664920.db2.gz	DUKSLEMXBDETTE-GOSISDBHSA-N	1	1	388.405	4.309	1	0		GIAFMO
C[N@@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCCC1	ZINC000013738805	221287449	/nfs/dbraw/zinc/28/74/49/221287449.db2.gz	JKBDFLKCEUJIHY-NRFANRHFSA-N	1	1	382.548	4.004	1	0		GIAFMO
COc1ccc(NC(=O)N[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)cc1	ZINC000045168925	221959815	/nfs/dbraw/zinc/95/98/15/221959815.db2.gz	CONJQRBZKIMYIX-MRXNPFEDSA-N	1	1	396.878	4.297	1	0		GIAFMO
Cc1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1	ZINC000049683630	222000365	/nfs/dbraw/zinc/00/03/65/222000365.db2.gz	SDOOTLZSUVDCHE-PRWBYUBPSA-N	1	1	375.541	4.105	1	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1csc2ccccc12	ZINC000061906972	222062742	/nfs/dbraw/zinc/06/27/42/222062742.db2.gz	XCZMLIDGUBNVNI-OAQYLSRUSA-N	1	1	380.469	4.233	3	0		GIAFMO
C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CC[N@H+]1Cc1csc2ccccc12	ZINC000061906972	222062745	/nfs/dbraw/zinc/06/27/45/222062745.db2.gz	XCZMLIDGUBNVNI-OAQYLSRUSA-N	1	1	380.469	4.233	3	0		GIAFMO
Cc1ccccc1C=C1C[N@@H+](C)CC2C1=NC(=S)N[C@H]2c1ccccc1C	ZINC000071333860	222183478	/nfs/dbraw/zinc/18/34/78/222183478.db2.gz	VCKGPSLFLGLOAS-JMOSNPTESA-N	1	1	375.541	4.105	1	0		GIAFMO
Cc1ccccc1C=C1C[N@@H+](C)CC2C1=NC(=S)N[C@@H]2c1ccccc1C	ZINC000071333857	222183680	/nfs/dbraw/zinc/18/36/80/222183680.db2.gz	VCKGPSLFLGLOAS-YGYUYSJASA-N	1	1	375.541	4.105	1	0		GIAFMO
COc1cc(-c2nc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC	ZINC000072182331	222216257	/nfs/dbraw/zinc/21/62/57/222216257.db2.gz	UACPQLTZPMDTMX-HZPDHXFCSA-N	1	1	386.492	4.380	1	0		GIAFMO
C[NH+](C)CCn1ccc2c1cccc2NS(=O)(=O)c1cccc2ccccc21	ZINC000013611667	221277098	/nfs/dbraw/zinc/27/70/98/221277098.db2.gz	FNTDBBVCBHXBBX-UHFFFAOYSA-N	1	1	393.512	4.157	1	0		GIAFMO
Oc1ccc2c3c1O[C@H]1Cc4c5ccccc5[nH]c4[C@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013737353	221286834	/nfs/dbraw/zinc/28/68/34/221286834.db2.gz	HQLZRENSDIGHBJ-YDOBTQPPSA-N	1	1	398.506	4.253	1	0		GIAFMO
CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3	ZINC000017252772	221382581	/nfs/dbraw/zinc/38/25/81/221382581.db2.gz	XFZQJONSCZRGGL-BKAZIGDYSA-N	1	1	399.487	4.261	1	0		GIAFMO
COc1cccc(NC(=O)[C@@]2(C)CC[N@@H+]2Cc2ccc(OC)c3ccccc23)c1	ZINC000061898293	222063078	/nfs/dbraw/zinc/06/30/78/222063078.db2.gz	UCTWSOBXMNCCBS-XMMPIXPASA-N	1	1	390.483	4.460	3	0		GIAFMO
COc1cccc(NC(=O)[C@@]2(C)CC[N@H+]2Cc2ccc(OC)c3ccccc23)c1	ZINC000061898293	222063082	/nfs/dbraw/zinc/06/30/82/222063082.db2.gz	UCTWSOBXMNCCBS-XMMPIXPASA-N	1	1	390.483	4.460	3	0		GIAFMO
Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)C[N@H+]2CC2CCCCC2)cc1	ZINC000061923847	222064652	/nfs/dbraw/zinc/06/46/52/222064652.db2.gz	XPINCFKWHIFHMC-SGNDLWITSA-N	1	1	394.563	4.393	3	0		GIAFMO
CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)Cc2cc(OC)ccc2O1	ZINC000012031071	221144135	/nfs/dbraw/zinc/14/41/35/221144135.db2.gz	GDPVOSAQYXVBAE-IBGZPJMESA-N	1	1	381.451	4.398	1	0		GIAFMO
CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)Cc2cc(OC)ccc2O1	ZINC000012031071	221144138	/nfs/dbraw/zinc/14/41/38/221144138.db2.gz	GDPVOSAQYXVBAE-IBGZPJMESA-N	1	1	381.451	4.398	1	0		GIAFMO
C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(C(N)=[NH2+])c(F)cc4[nH]3)c2O)C1	ZINC000013444387	221268425	/nfs/dbraw/zinc/26/84/25/221268425.db2.gz	AJFFZXMHLLIFML-RYUDHWBXSA-N	1	1	382.439	4.316	1	0		GIAFMO
COc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@H+]1C/C=C/I	ZINC000013781528	221289749	/nfs/dbraw/zinc/28/97/49/221289749.db2.gz	ZLFDVCPLJJNNHI-IZSSFWRRSA-N	1	1	383.273	4.138	1	0		GIAFMO
CC(C)C[C@H](CSc1ccc(Br)cc1)N1CC[N@H+](C)CCC1=O	ZINC000013830689	221292331	/nfs/dbraw/zinc/29/23/31/221292331.db2.gz	ORKHBYZUQKDOHF-MRXNPFEDSA-N	1	1	399.398	4.120	1	0		GIAFMO
CC(C)C[C@H](CSc1ccc(Br)cc1)N1CC[N@@H+](C)CCC1=O	ZINC000013830689	221292333	/nfs/dbraw/zinc/29/23/33/221292333.db2.gz	ORKHBYZUQKDOHF-MRXNPFEDSA-N	1	1	399.398	4.120	1	0		GIAFMO
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Br)cc1)[N@H+]2C/C=C/CF	ZINC000062224495	222065666	/nfs/dbraw/zinc/06/56/66/222065666.db2.gz	FXIKVFNIIRHKBX-BYQGVBOCSA-N	1	1	396.300	4.084	1	0		GIAFMO
CC[N@@H+]1CC(=Cc2ccc(C)cc2)C2=NC(=S)N[C@H](c3ccc(C)cc3)C2C1	ZINC000064448651	222071144	/nfs/dbraw/zinc/07/11/44/222071144.db2.gz	SQIIYCCGOMTDRN-WVWKGNOCSA-N	1	1	389.568	4.495	1	0		GIAFMO
COc1cc2c3c(c1OCC(C)C)-c1cc4c(cc1C[C@H]3[N@H+](C)CC2)OCO4	ZINC000072117081	222206572	/nfs/dbraw/zinc/20/65/72/222206572.db2.gz	BLXLNQMZEWSHPC-QGZVFWFLSA-N	1	1	381.472	4.211	1	0		GIAFMO
COc1cc2c3c(c1OCC(C)C)-c1cc4c(cc1C[C@H]3[N@@H+](C)CC2)OCO4	ZINC000072117081	222206576	/nfs/dbraw/zinc/20/65/76/222206576.db2.gz	BLXLNQMZEWSHPC-QGZVFWFLSA-N	1	1	381.472	4.211	1	0		GIAFMO
CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1	ZINC000084670372	222319533	/nfs/dbraw/zinc/31/95/33/222319533.db2.gz	HEVYJRZHYSRHDM-UEQSERJNSA-N	1	1	376.544	4.453	1	0		GIAFMO
C[NH+](C)CCOc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1	ZINC000013607930	221276640	/nfs/dbraw/zinc/27/66/40/221276640.db2.gz	OHZQVLLMLJBZQQ-RBUKOAKNSA-N	1	1	394.302	4.053	1	0		GIAFMO
CC[N@@H+]1CCc2cc(Br)cc(OC)c2[C@H]1Cc1ccccc1O	ZINC000013805159	221289360	/nfs/dbraw/zinc/28/93/60/221289360.db2.gz	FIENLMYHKXXOLG-MRXNPFEDSA-N	1	1	376.294	4.325	1	0		GIAFMO
CC[N@H+]1CCc2cc(Br)cc(OC)c2[C@H]1Cc1ccccc1O	ZINC000013805159	221289361	/nfs/dbraw/zinc/28/93/61/221289361.db2.gz	FIENLMYHKXXOLG-MRXNPFEDSA-N	1	1	376.294	4.325	1	0		GIAFMO
COc1cccc([C@H]2c3cc4c(cc3O[C@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c1	ZINC000019898964	221463888	/nfs/dbraw/zinc/46/38/88/221463888.db2.gz	LUELUYBCCRBFBS-MPMWTEJESA-N	1	1	381.472	4.396	1	0		GIAFMO
CC[NH2+]Cc1cncc(-c2cnc3c(c2)[C@@H](c2nc4ccc(F)cc4[nH]2)N=N3)c1	ZINC000049567215	222000406	/nfs/dbraw/zinc/00/04/06/222000406.db2.gz	KRKHEOQTCZTRNA-IBGZPJMESA-N	1	1	387.422	4.455	1	0		GIAFMO
COc1ccc(C2(O)C[NH+](CCCn3c4ccccc4c4ccccc43)C2)cc1	ZINC000049802948	222002178	/nfs/dbraw/zinc/00/21/78/222002178.db2.gz	ZEEUOUGBWYNJPV-UHFFFAOYSA-N	1	1	386.495	4.397	1	0		GIAFMO
O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)ccc2O	ZINC000058592844	222054210	/nfs/dbraw/zinc/05/42/10/222054210.db2.gz	XEDUTQMPNJLZKT-KYJSFNMBSA-N	1	1	390.549	4.057	1	0		GIAFMO
CC(C)c1ccc(S(=O)(=O)c2ccc3[nH]nc(C4CC[NH+](C)CC4)c3c2)cc1	ZINC000071294621	222179883	/nfs/dbraw/zinc/17/98/83/222179883.db2.gz	QWHMNVFMPYFMCB-UHFFFAOYSA-N	1	1	397.544	4.328	1	0		GIAFMO
COc1cccc2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc(C)[nH+]c12	ZINC000072139467	222211270	/nfs/dbraw/zinc/21/12/70/222211270.db2.gz	DYMKEHUXANTGRH-UHFFFAOYSA-N	1	1	395.890	4.168	1	0		GIAFMO
Cc1nc(C)c(-c2ccc3cc(CC[N@@H+]4CCC[C@@H]4C)ccc3n2)cc1C(N)=O	ZINC000072177171	222216458	/nfs/dbraw/zinc/21/64/58/222216458.db2.gz	CPBHHACTFPYERR-HNNXBMFYSA-N	1	1	388.515	4.039	1	0		GIAFMO
CC1(C)[C@@H]2CC[C@]13CC[N@@H+](CCN1CCN(c4cccc(Cl)c4)C1=O)[C@@H]3C2	ZINC000043074896	581092163	/nfs/dbraw/zinc/09/21/63/581092163.db2.gz	BLMDJHOZZKURJN-ZWDAVXSWSA-N	1	1	387.955	4.483	1	0		GIAFMO
CC[N@@H+]1CCc2c(sc(NC(=O)C(C)C)c2[C@@H](O)c2ccccc2Cl)C1	ZINC000013442812	221268488	/nfs/dbraw/zinc/26/84/88/221268488.db2.gz	MPECWFHBOWJSOY-SFHVURJKSA-N	1	1	392.952	4.456	1	0		GIAFMO
CC[N@H+]1CCc2c(sc(NC(=O)C(C)C)c2[C@@H](O)c2ccccc2Cl)C1	ZINC000013442812	221268491	/nfs/dbraw/zinc/26/84/91/221268491.db2.gz	MPECWFHBOWJSOY-SFHVURJKSA-N	1	1	392.952	4.456	1	0		GIAFMO
Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CCC1	ZINC000013560067	221273309	/nfs/dbraw/zinc/27/33/09/221273309.db2.gz	TWEQNWYNTADICN-WQFQCULDSA-N	1	1	381.545	4.377	1	0		GIAFMO
Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1[C@@H]2CCCC[C@]32CC[N@H+]1CC1CCC1	ZINC000013560067	221273313	/nfs/dbraw/zinc/27/33/13/221273313.db2.gz	TWEQNWYNTADICN-WQFQCULDSA-N	1	1	381.545	4.377	1	0		GIAFMO
C[C@@H]1CCc2c3ccccc3[nH]c2[C@@]2([NH2+]1)C(=O)Nc1ccc(Br)cc12	ZINC000049037517	221994950	/nfs/dbraw/zinc/99/49/50/221994950.db2.gz	UUKQKTKLSBUXEX-BIBXISHDSA-N	1	1	396.288	4.050	1	0		GIAFMO
C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1	ZINC000059261980	222055784	/nfs/dbraw/zinc/05/57/84/222055784.db2.gz	QUVLTPSEQSBWKS-CZUORRHYSA-N	1	1	381.442	4.117	1	0		GIAFMO
Cn1ccc(-c2ccc3c(c2)[C@@H](N2CC[NH+](C)CC2)Cc2ccccc2S3)n1	ZINC000064548986	222074126	/nfs/dbraw/zinc/07/41/26/222074126.db2.gz	WASDQAJQWQDOQW-NRFANRHFSA-N	1	1	390.556	4.083	1	0		GIAFMO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000043021135	581092186	/nfs/dbraw/zinc/09/21/86/581092186.db2.gz	OLKRKRWLKISLQU-WIYYLYMNSA-N	1	1	375.944	4.483	1	0		GIAFMO
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O	ZINC000005890661	581093991	/nfs/dbraw/zinc/09/39/91/581093991.db2.gz	CMCDWLMEDRBWIR-GTNSWQLSSA-N	1	1	382.439	4.316	1	0	in-vivo	GIAFMO
CC(C)[N@@H+](C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21	ZINC000013636830	221278724	/nfs/dbraw/zinc/27/87/24/221278724.db2.gz	BOIGZDBTJZUZMU-UHFFFAOYSA-N	1	1	396.922	4.026	3	0		GIAFMO
O=c1nc2c(c3[nH]c(-c4cccc(Cl)c4)cn31)C[N@@H+](Cc1ccccc1)CC2	ZINC000013492015	221270777	/nfs/dbraw/zinc/27/07/77/221270777.db2.gz	OXVOSBJLVAHMNE-UHFFFAOYSA-N	1	1	390.874	4.314	1	0		GIAFMO
CCCNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2Br)C1	ZINC000061906407	222063168	/nfs/dbraw/zinc/06/31/68/222063168.db2.gz	DQEFDKRUUUSBDX-HXUWFJFHSA-N	1	1	389.337	4.341	3	0		GIAFMO
CCNC(=O)[C@]1(C)CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1	ZINC000061927009	222064689	/nfs/dbraw/zinc/06/46/89/222064689.db2.gz	OKIDEFYTMZZKGO-LJQANCHMSA-N	1	1	377.941	4.202	3	0		GIAFMO
COC(=O)C1=CCC[N@H+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1	ZINC000064454117	222070212	/nfs/dbraw/zinc/07/02/12/222070212.db2.gz	FAXDKDSDNWXAIS-BVAGGSTKSA-N	1	1	387.523	4.429	1	0		GIAFMO
COc1ccc2c(c1OC)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc21)C3	ZINC000064491954	222072593	/nfs/dbraw/zinc/07/25/93/222072593.db2.gz	STFJONZLAZXMSA-HCYUJWNOSA-N	1	1	388.511	4.098	1	0		GIAFMO
Clc1ccccc1CC[NH+]1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1	ZINC000000840721	212187926	/nfs/dbraw/zinc/18/79/26/212187926.db2.gz	DBPSAINLCKSSJL-UHFFFAOYSA-N	1	1	392.934	4.193	1	0		GIAFMO
O=c1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2o1	ZINC000095605437	136182566	/nfs/dbraw/zinc/18/25/66/136182566.db2.gz	XWFCZITZAQOHSH-UHFFFAOYSA-N	1	1	389.282	4.422	3	0		GIAFMO
C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1	ZINC000043204917	221949030	/nfs/dbraw/zinc/94/90/30/221949030.db2.gz	MWATVQYCLGPJBC-VQIMIIECSA-N	1	1	384.549	4.133	1	0		GIAFMO
CCCNS(=O)(=O)c1ccc(-c2ccc(CC[N@H+]3CCC[C@H]3C)cc2)cc1	ZINC000072180475	222217206	/nfs/dbraw/zinc/21/72/06/222217206.db2.gz	NYNGLJDGJBCTFR-GOSISDBHSA-N	1	1	386.561	4.069	1	0		GIAFMO
Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F	ZINC000096271313	222407728	/nfs/dbraw/zinc/40/77/28/222407728.db2.gz	PWLRRJAFPMHNQH-PKOBYXMFSA-N	1	1	381.495	4.449	1	0		GIAFMO
COc1cccc2c1CCC[C@H]2C[N@@H+](C)CCc1ccc2nc(N)sc2c1	ZINC000013761444	221287914	/nfs/dbraw/zinc/28/79/14/221287914.db2.gz	YOETVRIXTIQSDF-INIZCTEOSA-N	1	1	381.545	4.482	1	0		GIAFMO
COC(=O)C[C@H]1[C@H]2C[C@@H](Cc3ccccc3)[C@@H](C[C@@H]1Cc1ccccc1)[N@H+]2C	ZINC000013776443	221288161	/nfs/dbraw/zinc/28/81/61/221288161.db2.gz	XXQUTIIQIQULCG-ODTAKUCXSA-N	1	1	377.528	4.360	1	0		GIAFMO
Cc1cccc(Cl)c1Nc1nc2cc(N3CCOCC3)ccc2n2c[nH+]cc12	ZINC000013860335	221291966	/nfs/dbraw/zinc/29/19/66/221291966.db2.gz	USIZQXISOMYKLX-UHFFFAOYSA-N	1	1	393.878	4.425	1	0		GIAFMO
COc1ccc([C@@H]2C=CC[N@@H+](CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1	ZINC000018069049	221387135	/nfs/dbraw/zinc/38/71/35/221387135.db2.gz	IRRUMAHLWIUQQB-QHCPKHFHSA-N	1	1	396.506	4.432	3	0		GIAFMO
Cc1cnc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)nc1-c1ccc(F)cc1	ZINC000084619327	136175009	/nfs/dbraw/zinc/17/50/09/136175009.db2.gz	VJUDTDMWBLLODG-UHFFFAOYSA-N	1	1	395.457	4.226	1	0		GIAFMO
COC(=O)C1=CCC[N@H+]([C@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1	ZINC000064454118	222070746	/nfs/dbraw/zinc/07/07/46/222070746.db2.gz	FAXDKDSDNWXAIS-OZXSUGGESA-N	1	1	387.523	4.429	1	0		GIAFMO