smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccc(F)cc1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095563706	185009957	/nfs/dbraw/zinc/00/99/57/185009957.db2.gz	APCTUEIYSPKDSY-RDJZCZTQSA-N	1	0	273.395	4.250	1	0		CIAFRO
C[n+]1cc(-c2cccc(-c3ccccc3)c2)nc2ccccc21	ZINC000096915129	185129443	/nfs/dbraw/zinc/12/94/43/185129443.db2.gz	HHNUVUCVMRFSBM-UHFFFAOYSA-N	1	0	297.381	4.393	1	0		CIAFRO
CCCC[NH2+][C@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2	ZINC000096932081	185132420	/nfs/dbraw/zinc/13/24/20/185132420.db2.gz	BVARUCMUZAWQLP-CYBMUJFWSA-N	1	0	289.419	4.330	1	0		CIAFRO
C[NH+](C)[C@]1(C)Cc2ccccc2[C@@H](c2ccccc2)C1	ZINC000084726839	178921120	/nfs/dbraw/zinc/92/11/20/178921120.db2.gz	YWARPDQQESVVJE-RTBURBONSA-N	1	0	265.400	4.085	1	0		CIAFRO
C[NH+](C)CCC[C@H](c1ccccn1)c1ccccc1Cl	ZINC000169349859	188660452	/nfs/dbraw/zinc/66/04/52/188660452.db2.gz	VHZCQDQABCMPTO-HNNXBMFYSA-N	1	0	288.822	4.209	1	0		CIAFRO
[NH3+]C[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl	ZINC000000378113	169623702	/nfs/dbraw/zinc/62/37/02/169623702.db2.gz	ORELNWJHPMKXJN-ZDUSSCGKSA-N	1	0	266.171	4.084	1	0		CIAFRO
C(C1CC1)[N@@H+]1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2	ZINC000005841744	170146123	/nfs/dbraw/zinc/14/61/23/170146123.db2.gz	GGLUSSBCBSGZEQ-GSBYPIHSSA-N	1	0	273.464	4.467	1	0		CIAFRO
CC(C)=CC[C@@]12Cc3ccc(O)cc3[C@@H]([C@H](C)C[NH2+]1)[C@@H]2C	ZINC000005941738	170159699	/nfs/dbraw/zinc/15/96/99/170159699.db2.gz	GKRHGVFQRKXOAH-WXRFYESLSA-N	1	0	285.431	4.002	1	0		CIAFRO
Cc1ccc([C@H](OCCC[NH2+]C(C)C)c2ccccc2)cc1	ZINC000007078313	170266712	/nfs/dbraw/zinc/26/67/12/170266712.db2.gz	WUZKFKKSMIPTFK-HXUWFJFHSA-N	1	0	297.442	4.489	3	0		CIAFRO
Cc1ccc(O[C@H](c2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1	ZINC000013530729	170558394	/nfs/dbraw/zinc/55/83/94/170558394.db2.gz	APDAFEORIXULGY-VQIMIIECSA-N	1	0	299.389	4.254	1	0		CIAFRO
C[NH+](C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1	ZINC000013557321	170562285	/nfs/dbraw/zinc/56/22/85/170562285.db2.gz	FNSGKKGXUCTTRV-SJLPKXTDSA-N	1	0	285.818	4.348	1	0		CIAFRO
CCc1cccc(NC(=[NH2+])Nc2ccccc2CC)c1	ZINC000013776041	170592423	/nfs/dbraw/zinc/59/24/23/170592423.db2.gz	DPDJFWNEKMYNBO-UHFFFAOYSA-N	1	0	267.376	4.270	1	0		CIAFRO
C[NH2+]CCSc1nc2ccccc2cc1-c1ccccc1	ZINC000026380012	171481128	/nfs/dbraw/zinc/48/11/28/171481128.db2.gz	YOGYPGYLBUVWJR-UHFFFAOYSA-N	1	0	294.423	4.213	1	0		CIAFRO
CCCCC[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C	ZINC000027086942	171506931	/nfs/dbraw/zinc/50/69/31/171506931.db2.gz	XPPRDCVATUTJON-NIKGAXFTSA-N	1	0	287.447	4.107	1	0		CIAFRO
Cc1cccc([C@H]2SC3(CC[NH2+]CC3)c3ccccc32)c1	ZINC000027874494	171535929	/nfs/dbraw/zinc/53/59/29/171535929.db2.gz	ZQOLDYCWUAXUPZ-GOSISDBHSA-N	1	0	295.451	4.410	1	0		CIAFRO
CCCC[NH+](CCCC)[C@@H]1C[C@H]1c1cccc(O)c1	ZINC000028108591	171548142	/nfs/dbraw/zinc/54/81/42/171548142.db2.gz	PDBZVLNUNOGADS-DLBZAZTESA-N	1	0	261.409	4.150	1	0		CIAFRO
Clc1cccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2)c1	ZINC000029123247	171586220	/nfs/dbraw/zinc/58/62/20/171586220.db2.gz	NQAZAJCJFXHLDK-ZACQAIPSSA-N	1	0	284.790	4.010	1	0		CIAFRO
CC[C@@]12CC[N@H+](CC=C(C)C)[C@@H](Cc3ccc(O)cc31)[C@@H]2C	ZINC000031361022	171636166	/nfs/dbraw/zinc/63/61/66/171636166.db2.gz	GHOMLITVLACWGO-YSSFQJQWSA-N	1	0	299.458	4.273	1	0		CIAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(C3CC3)ccc2c1	ZINC000038779136	174155125	/nfs/dbraw/zinc/15/51/25/174155125.db2.gz	HRMBWUJLMDNIED-CQSZACIVSA-N	1	0	280.415	4.139	1	0		CIAFRO
C[NH+](C)[C@H]1CC[C@H](c2c[nH]c3cc(Cl)ccc32)C1	ZINC000038920562	174159617	/nfs/dbraw/zinc/15/96/17/174159617.db2.gz	ZCNBAFGOHQGOOL-JQWIXIFHSA-N	1	0	262.784	4.019	1	0		CIAFRO
C[NH2+]C[C@H]1CSc2ccccc2[C@@H]1Oc1ccccc1C	ZINC000040429712	174259326	/nfs/dbraw/zinc/25/93/26/174259326.db2.gz	PXFCLZUOFIJVNC-KBXCAEBGSA-N	1	0	299.439	4.056	1	0		CIAFRO
C[N@H+]([C@@H]1CC(=O)c2ccccc21)[C@H]1CCCc2ccccc21	ZINC000045245083	175336343	/nfs/dbraw/zinc/33/63/43/175336343.db2.gz	HPQRVPSYMLEDSN-RBUKOAKNSA-N	1	0	291.394	4.324	1	0		CIAFRO
CC[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1	ZINC000045245561	175336455	/nfs/dbraw/zinc/33/64/55/175336455.db2.gz	JYBXLCIZWPNCMU-LBPRGKRZSA-N	1	0	288.218	4.343	1	0	in-vivo	CIAFRO
Fc1ccc(Oc2cccc(F)c2C2CC[NH2+]CC2)cc1	ZINC000045284173	175353380	/nfs/dbraw/zinc/35/33/80/175353380.db2.gz	WPYMMOOTBZOFOZ-UHFFFAOYSA-N	1	0	289.325	4.224	1	0	in-vivo	CIAFRO
CCC(CC)C[NH2+]Cc1coc(-c2cccc(F)c2)n1	ZINC000072101737	176315888	/nfs/dbraw/zinc/31/58/88/176315888.db2.gz	OCQSLEJLGILISY-UHFFFAOYSA-N	1	0	276.355	4.007	1	0		CIAFRO
Cc1ccc(-c2nc(C[NH2+][C@@H](C)C(C)(C)C)co2)cc1	ZINC000072102824	176316052	/nfs/dbraw/zinc/31/60/52/176316052.db2.gz	SBYPFUNMXMZPGM-ZDUSSCGKSA-N	1	0	272.392	4.174	1	0		CIAFRO
CCCCC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)nn1C	ZINC000072180093	176334644	/nfs/dbraw/zinc/33/46/44/176334644.db2.gz	NVCYJFFIVYRLPW-HNNXBMFYSA-N	1	0	285.435	4.146	1	0		CIAFRO
Cc1ccccc1-c1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)co1	ZINC000072182356	176335104	/nfs/dbraw/zinc/33/51/04/176335104.db2.gz	SYVXUHWAORZMSI-KBPBESRZSA-N	1	0	284.403	4.128	1	0		CIAFRO
CC1CCC([NH2+]Cc2coc(-c3ccccc3F)n2)CC1	ZINC000072182183	176335200	/nfs/dbraw/zinc/33/52/00/176335200.db2.gz	UVCLPLQMIVUYIU-UHFFFAOYSA-N	1	0	288.366	4.149	1	0		CIAFRO
Cc1ccccc1-c1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)co1	ZINC000072182357	176335229	/nfs/dbraw/zinc/33/52/29/176335229.db2.gz	SYVXUHWAORZMSI-ZIAGYGMSSA-N	1	0	284.403	4.128	1	0		CIAFRO
Cc1ccccc1-c1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)co1	ZINC000072185088	176335670	/nfs/dbraw/zinc/33/56/70/176335670.db2.gz	UGBGTOBVMSHFBQ-GASCZTMLSA-N	1	0	284.403	4.413	1	0		CIAFRO
CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	ZINC000058617912	521512716	/nfs/dbraw/zinc/51/27/16/521512716.db2.gz	DCHNYRBEPPOJBF-UYAOXDASSA-N	1	0	279.427	4.475	1	0		CIAFRO
CC[C@@]12CCC[N@H+](C1)CCc1c3ccccc3[nH]c1CC2	ZINC000014684594	571719774	/nfs/dbraw/zinc/71/97/74/571719774.db2.gz	FDNDLNFGITWTOZ-IBGZPJMESA-N	1	0	282.431	4.149	1	0	endogenous,in-man	CIAFRO
C[N@H+](Cc1ccccc1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095560520	185009374	/nfs/dbraw/zinc/00/93/74/185009374.db2.gz	RJSUBBPCRCVWNC-IRXDYDNUSA-N	1	0	255.405	4.111	1	0		CIAFRO
CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3ccccc3C1)=CC2	ZINC000095559916	185009688	/nfs/dbraw/zinc/00/96/88/185009688.db2.gz	BRXMGIBHAGPOLM-ROUUACIJSA-N	1	0	267.416	4.037	1	0		CIAFRO
Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1	ZINC000095587881	185012485	/nfs/dbraw/zinc/01/24/85/185012485.db2.gz	UUSPTDRDECONSP-YOEHRIQHSA-N	1	0	287.790	4.070	1	0		CIAFRO
CC(C)[C@H]1[C@H]2c3ccccc3C[C@H](c3ccccc32)[N@@H+]1C	ZINC000095607544	185016524	/nfs/dbraw/zinc/01/65/24/185016524.db2.gz	OEQJVUXXRVOFJA-AABGKKOBSA-N	1	0	277.411	4.386	1	0		CIAFRO
CC(C)CC[NH2+]C[C@H]1CCc2ccc3ccccc3c2O1	ZINC000169333271	188659287	/nfs/dbraw/zinc/65/92/87/188659287.db2.gz	JQMFJSFODHVQOG-QGZVFWFLSA-N	1	0	283.415	4.169	1	0		CIAFRO
C[NH+](C)CCC[C@H](c1cccnc1)c1cccc(Cl)c1	ZINC000169349869	188660106	/nfs/dbraw/zinc/66/01/06/188660106.db2.gz	VNMXAWGDCVGYEE-KRWDZBQOSA-N	1	0	288.822	4.209	1	0		CIAFRO
C[NH+](C)CC/C=C(/c1ccc(Cl)cc1)c1ccccn1	ZINC000169349850	188660171	/nfs/dbraw/zinc/66/01/71/188660171.db2.gz	ZWBYPIDRQFHUIK-SOFYXZRVSA-N	1	0	286.806	4.118	1	0		CIAFRO
CC(C)=CCC/C(C)=C/C[NH2+]CCOC(C)(C)C	ZINC000169347387	188660354	/nfs/dbraw/zinc/66/03/54/188660354.db2.gz	XXEBBQISRIDXFH-XNTDXEJSSA-N	1	0	253.430	4.084	1	0		CIAFRO
CN1c2ccccc2C2=C(CC[NH+](C)CC2)c2ccccc21	ZINC000001482057	169709544	/nfs/dbraw/zinc/70/95/44/169709544.db2.gz	SGMXCAKSGHLWBE-UHFFFAOYSA-N	1	0	290.410	4.404	1	0	in-man	CIAFRO
CC[C@@]12CCC[N@@H+]3CC[C@]4(c5ccccc5N=C4CC1)[C@H]32	ZINC000026262507	171477143	/nfs/dbraw/zinc/47/71/43/171477143.db2.gz	FGFBHTJUUGUSCK-GUDVDZBRSA-N	1	0	280.415	4.069	1	0		CIAFRO
CC(C)CC[N@@H+]1CC[C@]2(C)c3cc(F)ccc3C[C@H]1[C@@H]2C	ZINC000026819584	171500133	/nfs/dbraw/zinc/50/01/33/171500133.db2.gz	QQOVHQPJWOEKRH-JVPBZIDWSA-N	1	0	289.438	4.396	1	0		CIAFRO
C[C@]12[NH2+][C@H](Cc3c4ccccc4ccc31)c1ccccc12	ZINC000028757545	171572863	/nfs/dbraw/zinc/57/28/63/171572863.db2.gz	NJEBIXHGDABDOI-WOJBJXKFSA-N	1	0	271.363	4.304	1	0		CIAFRO
Clc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2)cc1	ZINC000029123287	171586528	/nfs/dbraw/zinc/58/65/28/171586528.db2.gz	PBZKITRBPZIVFA-ZACQAIPSSA-N	1	0	284.790	4.010	1	0		CIAFRO
C[NH+](C)[C@@H]1CC[C@H](c2c[nH]c3cc(Cl)ccc32)C1	ZINC000038920560	174159569	/nfs/dbraw/zinc/15/95/69/174159569.db2.gz	ZCNBAFGOHQGOOL-CMPLNLGQSA-N	1	0	262.784	4.019	1	0		CIAFRO
Cc1cccc2c1Nc1c(c[n+](C)c3ccccc31)S2	ZINC000039026823	174162013	/nfs/dbraw/zinc/16/20/13/174162013.db2.gz	RXHBYTGEAQRRKO-UHFFFAOYSA-O	1	0	279.388	4.181	1	0		CIAFRO
[NH3+]CCc1c2cc(F)ccc2sc1-c1ccccc1	ZINC000039223372	174166725	/nfs/dbraw/zinc/16/67/25/174166725.db2.gz	NAOGCXFBSXLQDT-UHFFFAOYSA-N	1	0	271.360	4.209	1	0		CIAFRO
c1cc2cc([C@]3(CCc4ccccc4)CC[NH2+]C3)ccc2[nH]1	ZINC000040379993	174250298	/nfs/dbraw/zinc/25/02/98/174250298.db2.gz	IYTYICIRVUHWDC-HXUWFJFHSA-N	1	0	290.410	4.032	1	0		CIAFRO
CC[C@H](C)CNc1[nH+]ccc2[nH]c3ccccc3c21	ZINC000040431030	174259812	/nfs/dbraw/zinc/25/98/12/174259812.db2.gz	YZWMTFORQSIEAP-NSHDSACASA-N	1	0	253.349	4.174	1	0		CIAFRO
CCCCCCOc1ccc(C(=O)CC[NH+](C)C)cc1C	ZINC000042921134	174916900	/nfs/dbraw/zinc/91/69/00/174916900.db2.gz	RUFSECUHDDYXQH-UHFFFAOYSA-N	1	0	291.435	4.089	1	0		CIAFRO
C[N@@H+]1CCC=C(c2ccc(Oc3ccccc3)cc2)C1	ZINC000045337382	175360727	/nfs/dbraw/zinc/36/07/27/175360727.db2.gz	QZZNHTYXVGAYMS-UHFFFAOYSA-N	1	0	265.356	4.198	1	0		CIAFRO
CC[N@@H+](CCc1c[nH]c2ccccc12)CCC(C)C	ZINC000071332406	176125690	/nfs/dbraw/zinc/12/56/90/176125690.db2.gz	UGOCOGWFUOEWOV-UHFFFAOYSA-N	1	0	258.409	4.078	1	0		CIAFRO
FC(F)(F)c1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1	ZINC000071341537	176130415	/nfs/dbraw/zinc/13/04/15/176130415.db2.gz	XQPGJRYJIUWYCG-UHFFFAOYSA-N	1	0	277.289	4.018	1	0		CIAFRO
c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000072103217	176315690	/nfs/dbraw/zinc/31/56/90/176315690.db2.gz	AIQMYYPHRQPERI-DOTOQJQBSA-N	1	0	296.414	4.354	1	0		CIAFRO
c1ccc(Cc2ccc(SCC[NH+]3CCCC3)cc2)cc1	ZINC000013805401	581092000	/nfs/dbraw/zinc/09/20/00/581092000.db2.gz	LQDRKUOXDLKKMZ-UHFFFAOYSA-N	1	0	297.467	4.465	1	0		CIAFRO
Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1	ZINC000095592697	185014562	/nfs/dbraw/zinc/01/45/62/185014562.db2.gz	UUSPTDRDECONSP-RHSMWYFYSA-N	1	0	287.790	4.070	1	0		CIAFRO
C[n+]1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21	ZINC000096915133	185129314	/nfs/dbraw/zinc/12/93/14/185129314.db2.gz	IWVNVSFATSQNPK-UHFFFAOYSA-N	1	0	277.391	4.024	1	0		CIAFRO
Cc1cc([C@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(C)cc2)[N@H+]3C)on1	ZINC000169340094	188659811	/nfs/dbraw/zinc/65/98/11/188659811.db2.gz	JWOFBAPJYPWTNI-DODZYUBVSA-N	1	0	296.414	4.025	1	0		CIAFRO
C[NH+](C)CCC[C@@H](c1cccc(Cl)c1)c1ccccn1	ZINC000169350433	188660336	/nfs/dbraw/zinc/66/03/36/188660336.db2.gz	PSTSHDKJDQIGBT-INIZCTEOSA-N	1	0	288.822	4.209	1	0		CIAFRO
c1cc(-c2ccc3ccccc3c2)n(-c2cc[nH+]cc2)n1	ZINC000071294277	184574789	/nfs/dbraw/zinc/57/47/89/184574789.db2.gz	ARZYOUBGUUXNBX-UHFFFAOYSA-N	1	0	271.323	4.088	1	0		CIAFRO
c1ccc(CC[C@@H]2CC[C@@H](CCc3ccccc3)[NH2+]2)cc1	ZINC000005682768	170128404	/nfs/dbraw/zinc/12/84/04/170128404.db2.gz	PUDQCLXRJFKADI-WOJBJXKFSA-N	1	0	279.427	4.373	3	0		CIAFRO
CCC[NH+](CCC)[C@@H]1CCc2c3[nH]ccc3ccc2C1	ZINC000005842808	170146198	/nfs/dbraw/zinc/14/61/98/170146198.db2.gz	YPMUDXXNPCPBIN-MRXNPFEDSA-N	1	0	270.420	4.147	1	0		CIAFRO
CCc1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)csc1C	ZINC000006895159	170254173	/nfs/dbraw/zinc/25/41/73/170254173.db2.gz	PBEVUOIASVFWMT-VXGBXAGGSA-N	1	0	251.439	4.097	1	0		CIAFRO
[NH2+]=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000013487846	170555603	/nfs/dbraw/zinc/55/56/03/170555603.db2.gz	WZRFJAWNOKIPAY-UHFFFAOYSA-N	1	0	279.170	4.109	1	0		CIAFRO
C[C@H](CC[NH+]1CCC(C)CC1)Oc1ccc(Cl)cc1	ZINC000013519880	170557815	/nfs/dbraw/zinc/55/78/15/170557815.db2.gz	MAWYSOMSMVYISQ-CQSZACIVSA-N	1	0	281.827	4.229	1	0		CIAFRO
C[NH2+]C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccc2cc(OC)ccc2c1	ZINC000013553224	170561360	/nfs/dbraw/zinc/56/13/60/170561360.db2.gz	RPEDEMBGNMELBV-LQJIQPLVSA-N	1	0	295.426	4.198	1	0		CIAFRO
c1ccc(CC[N@@H+]2CC[C@H]3c4ccccc4CC[C@H]3C2)cc1	ZINC000026162099	171473809	/nfs/dbraw/zinc/47/38/09/171473809.db2.gz	DXALZRXMUCRVSF-PZJWPPBQSA-N	1	0	291.438	4.281	1	0		CIAFRO
C[C@H](CC[NH+](C)C)c1ccc(-c2ccccc2)cc1	ZINC000028642084	171568727	/nfs/dbraw/zinc/56/87/27/171568727.db2.gz	CNPHYPDTPHMJKH-OAHLLOKOSA-N	1	0	253.389	4.409	1	0		CIAFRO
CC[NH+](CC)C[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000028960482	171582118	/nfs/dbraw/zinc/58/21/18/171582118.db2.gz	JNUMOXFTJCHEQP-ROUUACIJSA-N	1	0	253.389	4.285	1	0		CIAFRO
CCC[NH+](CCC)[C@@H]1COc2c(cccc2-c2ccoc2)C1	ZINC000029330772	171593998	/nfs/dbraw/zinc/59/39/98/171593998.db2.gz	PYRDKFKAOMQLLU-KRWDZBQOSA-N	1	0	299.414	4.372	1	0		CIAFRO
[NH3+]C[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000037629025	173579577	/nfs/dbraw/zinc/57/95/77/173579577.db2.gz	REEGNXUZOAFZKE-HXUWFJFHSA-N	1	0	273.379	4.444	1	0		CIAFRO
c1ccc([C@@H](NC2=[NH+]CCCCC2)C2CCCC2)cc1	ZINC000039200580	174165514	/nfs/dbraw/zinc/16/55/14/174165514.db2.gz	DNEGCNRYQPHUNY-GOSISDBHSA-N	1	0	270.420	4.480	1	0		CIAFRO
c1ccc([C@H](NC2=[NH+]CCCCC2)C2CCCC2)cc1	ZINC000039200577	174165724	/nfs/dbraw/zinc/16/57/24/174165724.db2.gz	DNEGCNRYQPHUNY-SFHVURJKSA-N	1	0	270.420	4.480	1	0		CIAFRO
c1ccc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1	ZINC000045259323	175337103	/nfs/dbraw/zinc/33/71/03/175337103.db2.gz	BWLYRCBLFWFPHN-UHFFFAOYSA-N	1	0	291.438	4.458	1	0		CIAFRO
Fc1cccc(Oc2ccccc2C2CC[NH2+]CC2)c1	ZINC000045318966	175358948	/nfs/dbraw/zinc/35/89/48/175358948.db2.gz	WLJMFBUPVRQPDQ-UHFFFAOYSA-N	1	0	271.335	4.085	1	0	in-vivo	CIAFRO
c1ccc(O[C@@H](c2ccc3ccccc3c2)C2C[NH2+]C2)cc1	ZINC000095552306	185008493	/nfs/dbraw/zinc/00/84/93/185008493.db2.gz	UIMUDQPFCACMJA-FQEVSTJZSA-N	1	0	289.378	4.179	1	0		CIAFRO
CCC[NH+]1CCC(c2cccc3ccccc32)CC1	ZINC000095561880	185009147	/nfs/dbraw/zinc/00/91/47/185009147.db2.gz	ZEXVYCCERKFSCL-UHFFFAOYSA-N	1	0	253.389	4.429	1	0		CIAFRO
CCC[NH+]1CCC(c2cccc(OC(C)C)c2)CC1	ZINC000095589630	185014159	/nfs/dbraw/zinc/01/41/59/185014159.db2.gz	CGNHEDHHAPQRTP-UHFFFAOYSA-N	1	0	261.409	4.063	1	0		CIAFRO
CC(C)(C)c1ccc(-c2ncnc3c(C[NH3+])cccc23)cc1	ZINC000096915143	185129214	/nfs/dbraw/zinc/12/92/14/185129214.db2.gz	YAATXUMIRPMHET-UHFFFAOYSA-N	1	0	291.398	4.053	1	0		CIAFRO
CC[NH+](CC)Cc1cccc2oc3cc(OC)ccc3c21	ZINC000103252018	185820129	/nfs/dbraw/zinc/82/01/29/185820129.db2.gz	PKRJYQBHUXGYND-UHFFFAOYSA-N	1	0	283.371	4.436	1	0		CIAFRO
Cc1c(F)cccc1O[C@H](c1ccccc1)C1CC[NH2+]CC1	ZINC000013530942	170558640	/nfs/dbraw/zinc/55/86/40/170558640.db2.gz	IIHYGWAEWFAWJN-LJQANCHMSA-N	1	0	299.389	4.254	1	0		CIAFRO
F[C@H]1CC[NH2+]C[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1	ZINC000013862736	170605651	/nfs/dbraw/zinc/60/56/51/170605651.db2.gz	QAMSRCBRYCCTDQ-HOTGVXAUSA-N	1	0	294.373	4.250	1	0		CIAFRO
Cc1cccc2c1Oc1ccccc1[C@@H]2SCCC[NH3+]	ZINC000025966441	171468553	/nfs/dbraw/zinc/46/85/53/171468553.db2.gz	PXXALRFKQWAAFL-KRWDZBQOSA-N	1	0	285.412	4.272	1	0		CIAFRO
c1[nH]c2ccccc2c1[C@@H]1[C@H]([NH+]2CCCC2)[C@H]2C=C[C@@H]1CC2	ZINC000027308840	171512544	/nfs/dbraw/zinc/51/25/44/171512544.db2.gz	QSYOYDXUQCIZDG-HRYATBACSA-N	1	0	292.426	4.312	1	0		CIAFRO
C[NH2+]C1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12	ZINC000027705120	171529213	/nfs/dbraw/zinc/52/92/13/171529213.db2.gz	MNOALQPMPXJQJD-AJPWXKBRSA-N	1	0	293.410	4.164	1	0		CIAFRO
c1ccc(C[NH2+][C@]23CCC[C@@H]2Cc2ccccc23)cc1	ZINC000027734659	171530640	/nfs/dbraw/zinc/53/06/40/171530640.db2.gz	ATFGXWDZCYNAFZ-IEBWSBKVSA-N	1	0	263.384	4.028	1	0		CIAFRO
CCC[C@@H](c1ccc(Cl)cc1)[C@H]1CCCC[NH2+]1	ZINC000035090384	171973237	/nfs/dbraw/zinc/97/32/37/171973237.db2.gz	OICPVJMMZDEJMO-LSDHHAIUSA-N	1	0	251.801	4.366	1	0	in-vivo	CIAFRO
Fc1ccc2[nH]cc([C@@H]3CC[C@@H]([NH+]4CCCC4)C3)c2c1	ZINC000038778626	174155586	/nfs/dbraw/zinc/15/55/86/174155586.db2.gz	XUQVICPWJMOKDT-TZMCWYRMSA-N	1	0	272.367	4.039	1	0		CIAFRO
[NH3+]CCc1c2ccccc2sc1-c1ccccc1	ZINC000039223370	174166847	/nfs/dbraw/zinc/16/68/47/174166847.db2.gz	PULZRYPLSBACRA-UHFFFAOYSA-N	1	0	253.370	4.070	1	0		CIAFRO
CC[N@H+]1Cc2c(C)c(C)ccc2[C@@H](c2ccccc2)C1	ZINC000040565273	174337218	/nfs/dbraw/zinc/33/72/18/174337218.db2.gz	KXHNOIFAYOEWOY-LJQANCHMSA-N	1	0	265.400	4.271	1	0		CIAFRO
Cc1ccc(F)c(Oc2ccccc2C2CC[NH2+]CC2)c1	ZINC000045320291	175359482	/nfs/dbraw/zinc/35/94/82/175359482.db2.gz	QPPDVPUFQFPJKK-UHFFFAOYSA-N	1	0	285.362	4.393	1	0	in-vivo	CIAFRO
CCC[N@@H+](CCc1c[nH]c2ccccc12)CCC(C)C	ZINC000071340852	176130207	/nfs/dbraw/zinc/13/02/07/176130207.db2.gz	NQVYWBLGKSHLCI-UHFFFAOYSA-N	1	0	272.436	4.469	1	0		CIAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccccc2O)n1	ZINC000072102284	176315925	/nfs/dbraw/zinc/31/59/25/176315925.db2.gz	UFYIEMXKBWIDAF-ZDUSSCGKSA-N	1	0	288.391	4.106	1	0		CIAFRO
c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1	ZINC000072103218	176316024	/nfs/dbraw/zinc/31/60/24/176316024.db2.gz	AIQMYYPHRQPERI-NVXWUHKLSA-N	1	0	296.414	4.354	1	0		CIAFRO
CCCCCCc1c[nH+]c(N)n1CCCc1ccccc1	ZINC000072106149	176316438	/nfs/dbraw/zinc/31/64/38/176316438.db2.gz	CDPDULNOYHBDRV-UHFFFAOYSA-N	1	0	285.435	4.221	1	0		CIAFRO
Cc1cccc(Cn2c3ccccc3nc2[C@@H]([NH3+])C(C)C)c1	ZINC000072114607	176318304	/nfs/dbraw/zinc/31/83/04/176318304.db2.gz	BLQMEUJBVHQZJI-SFHVURJKSA-N	1	0	293.414	4.049	1	0		CIAFRO
Cc1cc(C)c2c(C[NH+]3CCCCCCC3)cc(=O)oc2c1	ZINC000072121415	176320193	/nfs/dbraw/zinc/32/01/93/176320193.db2.gz	SBPAJSVPZLYAMP-UHFFFAOYSA-N	1	0	299.414	4.176	3	0		CIAFRO
C[C@@H]([NH3+])C1(c2cccc3ccccc32)CCCCC1	ZINC000066112418	524991052	/nfs/dbraw/zinc/99/10/52/524991052.db2.gz	UKMRWNNKRBSVIH-CQSZACIVSA-N	1	0	253.389	4.389	1	0		CIAFRO
[NH3+][C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066166632	527378084	/nfs/dbraw/zinc/37/80/84/527378084.db2.gz	INFXKGQBKNZHOQ-TZMCWYRMSA-N	1	0	292.209	4.399	1	0		CIAFRO
C[N@H+]1Cc2ccccc2[C@H](c2ccc(Cl)c(F)c2)C1	ZINC000095560359	185009186	/nfs/dbraw/zinc/00/91/86/185009186.db2.gz	FZJAPDJONFNIEV-AWEZNQCLSA-N	1	0	275.754	4.056	1	0		CIAFRO
Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)cc1	ZINC000095587267	185012561	/nfs/dbraw/zinc/01/25/61/185012561.db2.gz	FDZMWAFQMOJQFO-YOEHRIQHSA-N	1	0	287.790	4.070	1	0		CIAFRO
CCCn1c(C)c(C2=CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096905423	185128470	/nfs/dbraw/zinc/12/84/70/185128470.db2.gz	ZPHVPMLYPGJLQA-UHFFFAOYSA-N	1	0	288.822	4.390	1	0		CIAFRO
Nc1cc(/C=C/c2c[nH]c3ccccc23)[nH+]c2ccccc12	ZINC000096914086	185129073	/nfs/dbraw/zinc/12/90/73/185129073.db2.gz	RPOSRVWBRSKEKE-MDZDMXLPSA-N	1	0	285.350	4.469	1	0		CIAFRO
CCCC[NH2+][C@@H]1CC/C(C)=C\CC(C)(C)/C=C/[C@H](O)[C@@H]1C	ZINC000169291186	188655850	/nfs/dbraw/zinc/65/58/50/188655850.db2.gz	CCVITBTWVUMCIE-XZLSHQBHSA-N	1	0	293.495	4.454	1	0		CIAFRO
C(\c1ccc(-c2ccccc2)cc1)=C1\C[NH+]2CCC1CC2	ZINC000001537811	169712110	/nfs/dbraw/zinc/71/21/10/169712110.db2.gz	RTFHBXLCOFNPOR-XSFVSMFZSA-N	1	0	275.395	4.463	1	0		CIAFRO
C[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=[NH+]CCCN21	ZINC000013491087	170556020	/nfs/dbraw/zinc/55/60/20/170556020.db2.gz	YJFUNBFSTGZINW-GOSISDBHSA-N	1	0	296.801	4.069	1	0		CIAFRO
Cc1ccc([C@H](Oc2cccc(F)c2)C2CC[NH2+]CC2)cc1	ZINC000013530918	170558643	/nfs/dbraw/zinc/55/86/43/170558643.db2.gz	YOVHXDLAHXZQHW-IBGZPJMESA-N	1	0	299.389	4.254	1	0		CIAFRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H](c2ccccc2)C1	ZINC000013557299	170562077	/nfs/dbraw/zinc/56/20/77/170562077.db2.gz	WUBABGHLEBDGMP-IEBWSBKVSA-N	1	0	265.400	4.085	1	0		CIAFRO
C=Cc1ccc(Sc2ccccc2C[NH+](C)C)c(N)c1	ZINC000013646002	170572924	/nfs/dbraw/zinc/57/29/24/170572924.db2.gz	ROARIPXQVCVHPS-UHFFFAOYSA-N	1	0	284.428	4.125	1	0		CIAFRO
C[C@H]([NH3+])Cc1c2ccoc2c(C(F)(F)F)c2ccoc21	ZINC000013862367	170605917	/nfs/dbraw/zinc/60/59/17/170605917.db2.gz	HNGUQSFLBLMHFT-ZETCQYMHSA-N	1	0	283.249	4.088	1	0		CIAFRO
C[NH+](C)CCCN1c2cscc2Sc2ccccc21	ZINC000026965228	171504308	/nfs/dbraw/zinc/50/43/08/171504308.db2.gz	SQOWFTDCLPVUQA-UHFFFAOYSA-N	1	0	290.457	4.303	1	0		CIAFRO
CCCC[NH+](CCCC)[C@@H]1C[C@H]1c1ccccc1O	ZINC000028099954	171547301	/nfs/dbraw/zinc/54/73/01/171547301.db2.gz	VUAMCXQYBIHJJP-JKSUJKDBSA-N	1	0	261.409	4.150	1	0		CIAFRO
C[NH+](C)[C@H]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1	ZINC000028819424	171575911	/nfs/dbraw/zinc/57/59/11/171575911.db2.gz	GFNMZMSNUJYADM-ZDUSSCGKSA-N	1	0	274.795	4.319	1	0		CIAFRO
C[NH+](C)[C@@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc21	ZINC000029479699	171599906	/nfs/dbraw/zinc/59/99/06/171599906.db2.gz	ZJFAPZUPMLSMHT-IAGOWNOFSA-N	1	0	271.791	4.478	1	0		CIAFRO
C[NH2+][C@@H]1C[C@H](c2ccc(F)c(Cl)c2)c2ccccc21	ZINC000029482886	171600330	/nfs/dbraw/zinc/60/03/30/171600330.db2.gz	NNGORYSTVYQGRR-CZUORRHYSA-N	1	0	275.754	4.275	1	0		CIAFRO
C[NH+](C)[C@@H]1C[C@@H](c2ccc(F)c(F)c2)c2ccccc21	ZINC000029482129	171600546	/nfs/dbraw/zinc/60/05/46/171600546.db2.gz	AQPODZLKHFVDGO-WMLDXEAASA-N	1	0	273.326	4.103	1	0		CIAFRO
CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CC[NH2+][C@H]12	ZINC000038329142	174139742	/nfs/dbraw/zinc/13/97/42/174139742.db2.gz	TWRZIFGLJFJQJK-UXHICEINSA-N	1	0	296.458	4.386	1	0	in-vivo	CIAFRO
COc1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1O2	ZINC000038684162	174152105	/nfs/dbraw/zinc/15/21/05/174152105.db2.gz	CVEKPEDQESUNSP-NVNXTCNLSA-N	1	0	295.382	4.184	1	0	in-man	CIAFRO
CCCc1ccc2c(c1O)CC[C@@H]([NH+](CCC)CCC)C2	ZINC000045192211	175326779	/nfs/dbraw/zinc/32/67/79/175326779.db2.gz	NZCTWKJBDAZLQS-QGZVFWFLSA-N	1	0	289.463	4.324	1	0		CIAFRO
CC[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1	ZINC000045245562	175336427	/nfs/dbraw/zinc/33/64/27/175336427.db2.gz	JYBXLCIZWPNCMU-GFCCVEGCSA-N	1	0	288.218	4.343	1	0	in-vivo	CIAFRO
CC(C)C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000045253933	175336582	/nfs/dbraw/zinc/33/65/82/175336582.db2.gz	WEKVVEUCXILQOT-CQSZACIVSA-N	1	0	281.827	4.326	1	0	in-vitro	CIAFRO
C(CC1CCCCC1)CN1CC[NH+](C2CCCCC2)CC1	ZINC000045283893	175353546	/nfs/dbraw/zinc/35/35/46/175353546.db2.gz	SRTZUPKPXXWLQI-UHFFFAOYSA-N	1	0	292.511	4.297	1	0		CIAFRO
CC[n+]1c(/C=C/c2ccc(F)cc2)ccc2ccccc21	ZINC000045320155	175359166	/nfs/dbraw/zinc/35/91/66/175359166.db2.gz	ADFKDYTXKJMYGD-UKTHLTGXSA-N	1	0	278.350	4.457	1	0		CIAFRO
CCCCCC[N@@H+]1CCc2c(c3cc(C)ccc3n2C)C1	ZINC000071331248	176124693	/nfs/dbraw/zinc/12/46/93/176124693.db2.gz	RJCJNKFPOOXZRU-UHFFFAOYSA-N	1	0	284.447	4.425	1	0		CIAFRO
C[N@@H+]1C[C@@H]2CCCC[C@]2(c2ccc(Cl)cc2Cl)C1	ZINC000072113093	176317552	/nfs/dbraw/zinc/31/75/52/176317552.db2.gz	FCMFWPCHZOKPLR-NHYWBVRUSA-N	1	0	284.230	4.367	1	0		CIAFRO
CCCCC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)on1	ZINC000072184127	176335047	/nfs/dbraw/zinc/33/50/47/176335047.db2.gz	DXNFBYYWFIBVHO-AWEZNQCLSA-N	1	0	272.392	4.400	1	0		CIAFRO
Clc1ccc(-c2nc(C[NH2+]C3CCCCC3)co2)cc1	ZINC000072184284	176335291	/nfs/dbraw/zinc/33/52/91/176335291.db2.gz	YTCCRRSGDGUGSB-UHFFFAOYSA-N	1	0	290.794	4.417	1	0		CIAFRO
CCCCC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)on1	ZINC000072184126	176335362	/nfs/dbraw/zinc/33/53/62/176335362.db2.gz	DXNFBYYWFIBVHO-CQSZACIVSA-N	1	0	272.392	4.400	1	0		CIAFRO
C[NH+](C)[C@@H]1CCN2c3ccccc3Sc3cccc1c32	ZINC000055646876	522056159	/nfs/dbraw/zinc/05/61/59/522056159.db2.gz	XGYHDRUNNACRFL-CYBMUJFWSA-N	1	0	282.412	4.296	1	0		CIAFRO
CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@@H](C1)C2	ZINC000013835505	581091706	/nfs/dbraw/zinc/09/17/06/581091706.db2.gz	UKCBMHDZLYYTMI-MNOVXSKESA-N	1	0	284.790	4.466	1	0	in-vivo	CIAFRO
C[NH+](C)C12C[C@H]3CC(C)(C[C@@H](C1)c1ccccc13)C2	ZINC000082157702	177925665	/nfs/dbraw/zinc/92/56/65/177925665.db2.gz	ISDATCXSNGNPEL-MWABVPJASA-N	1	0	255.405	4.152	1	0		CIAFRO
Clc1ccc(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)cc1	ZINC000095591395	185013559	/nfs/dbraw/zinc/01/35/59/185013559.db2.gz	FDZMWAFQMOJQFO-RHSMWYFYSA-N	1	0	287.790	4.070	1	0		CIAFRO
c1ccc2c(c1)C[C@@H]1[C@@H]3CC=CC=C3[C@H]2[C@@H]2CCCC[N@@H+]12	ZINC000096904330	185127398	/nfs/dbraw/zinc/12/73/98/185127398.db2.gz	HROSJQCOXHKMQP-MDNKFWRPSA-N	1	0	277.411	4.066	1	0		CIAFRO
c1ccc2c(c1)C[C@@H]1[C@H]3CC=CC=C3[C@H]2[C@@H]2CCCC[N@@H+]12	ZINC000096904331	185128211	/nfs/dbraw/zinc/12/82/11/185128211.db2.gz	HROSJQCOXHKMQP-FFGOWVMKSA-N	1	0	277.411	4.066	1	0		CIAFRO
c1ccc2c(c1)[nH]c1c2C[NH+]=C(NC2CCCCC2)S1	ZINC000096938442	185133201	/nfs/dbraw/zinc/13/32/01/185133201.db2.gz	FSDSXDZOSDMGGO-UHFFFAOYSA-N	1	0	285.416	4.052	1	0		CIAFRO
CCn1c2ccccc2c2c1[C@@](C)(CC[NH+](C)C)CCC2	ZINC000002032844	169770113	/nfs/dbraw/zinc/77/01/13/169770113.db2.gz	OKILDWLCZXMHTG-LJQANCHMSA-N	1	0	284.447	4.207	1	0		CIAFRO
CCC[NH+](CCC)[C@H]1CCc2ccc3occc3c2C1	ZINC000026664525	171495227	/nfs/dbraw/zinc/49/52/27/171495227.db2.gz	NBMBMTFMWYKPHV-HNNXBMFYSA-N	1	0	271.404	4.412	1	0		CIAFRO
CCC[N@H+](C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1	ZINC000027412321	171516859	/nfs/dbraw/zinc/51/68/59/171516859.db2.gz	DCHNYRBEPPOJBF-ICSRJNTNSA-N	1	0	279.427	4.475	1	0		CIAFRO
CCC[N@@H+]1Cc2ccccc2[C@]12CCc1ccccc12	ZINC000027656479	171527572	/nfs/dbraw/zinc/52/75/72/171527572.db2.gz	HKQVRVKQVREPKY-LJQANCHMSA-N	1	0	263.384	4.102	1	0		CIAFRO
Clc1ncc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1-c1ccccc1	ZINC000029552826	171603498	/nfs/dbraw/zinc/60/34/98/171603498.db2.gz	CCCKJPGFLXNAOM-FMKPAKJESA-N	1	0	284.790	4.010	1	0		CIAFRO
C[NH2+]CCc1sc2ccccc2c1[C@@H](C)c1ccccn1	ZINC000038265438	174138217	/nfs/dbraw/zinc/13/82/17/174138217.db2.gz	VMZBJCIUNPGQKF-ZDUSSCGKSA-N	1	0	296.439	4.210	1	0		CIAFRO
Fc1cccc(C2CC[NH2+]CC2)c1Oc1ccccc1	ZINC000045318962	175359264	/nfs/dbraw/zinc/35/92/64/175359264.db2.gz	WWIFVPBPYYVHTD-UHFFFAOYSA-N	1	0	271.335	4.085	1	0	in-vivo	CIAFRO
c1ccc2c(c1)[C@@H]1CC3C[C@H]2CC([NH+]2CCCCC2)(C1)O3	ZINC000045338876	175361145	/nfs/dbraw/zinc/36/11/45/175361145.db2.gz	NVIWIVUMBOPMRK-JOUKPKRSSA-N	1	0	283.415	4.022	1	0		CIAFRO
Cc1cccc(C)c1-c1cccc(SCC[NH+](C)C)n1	ZINC000045355187	175362005	/nfs/dbraw/zinc/36/20/05/175362005.db2.gz	CCRVVFQJXRBXDH-UHFFFAOYSA-N	1	0	286.444	4.019	1	0		CIAFRO
C[NH+](C)CCSc1cccc(-c2ccccc2)c1	ZINC000045366148	175362648	/nfs/dbraw/zinc/36/26/48/175362648.db2.gz	NDJKJLMJAGRKRK-UHFFFAOYSA-N	1	0	257.402	4.007	1	0	in-vivo	CIAFRO
Cc1cc2ccc3c(c2o1)-c1cccc2c1[C@@H](C3)[N@H+](C)CC2	ZINC000045375142	175365959	/nfs/dbraw/zinc/36/59/59/175365959.db2.gz	RUWAMTNSIGQJMG-QGZVFWFLSA-N	1	0	289.378	4.493	1	0	in-vitro	CIAFRO
CC[NH+](CC)C12C[C@H]3CC(C)(C[C@@H](C1)c1ccccc13)O2	ZINC000045391827	175375534	/nfs/dbraw/zinc/37/55/34/175375534.db2.gz	PYKNOOSVGBENNG-MYMYQCDVSA-N	1	0	285.431	4.268	1	0		CIAFRO
[NH3+]C[C@@H](OCc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000072120389	176319612	/nfs/dbraw/zinc/31/96/12/176319612.db2.gz	KIWGIRPVCUYQKI-OAHLLOKOSA-N	1	0	296.197	4.210	1	0		CIAFRO
C[N@H+](Cc1coc(-c2ccccc2Cl)n1)C(C)(C)C	ZINC000072182985	176335125	/nfs/dbraw/zinc/33/51/25/176335125.db2.gz	YAJMBYWNITYKLY-UHFFFAOYSA-N	1	0	278.783	4.225	1	0		CIAFRO
CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)[N@@H+]1C	ZINC000095913608	560056500	/nfs/dbraw/zinc/05/65/00/560056500.db2.gz	YIOUPFBHICGXGU-VLXASLQNSA-N	1	0	277.452	4.343	1	0	biogenic,in-vitro	CIAFRO
COc1cc2c(cc1[C@H](C)[NH+]1CCCC1)C=CC(C)(C)O2	ZINC000096932099	185132315	/nfs/dbraw/zinc/13/23/15/185132315.db2.gz	KIKBEQTUAIDKPB-ZDUSSCGKSA-N	1	0	287.403	4.036	1	0		CIAFRO
C[NH+](C)CCCOC1=Cc2ccccc2Cc2ccccc21	ZINC000084741490	178924011	/nfs/dbraw/zinc/92/40/11/178924011.db2.gz	UMUJQIXDMGOLBI-UHFFFAOYSA-N	1	0	293.410	4.057	1	0		CIAFRO
C[NH+]1CCC(c2ccccc2Cc2ccccc2)CC1	ZINC000141611713	187910321	/nfs/dbraw/zinc/91/03/21/187910321.db2.gz	KYJZUHCMEFNTKA-UHFFFAOYSA-N	1	0	265.400	4.087	1	0		CIAFRO
C(C1CC1)[N@@H+]1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2	ZINC000005841651	170145934	/nfs/dbraw/zinc/14/59/34/170145934.db2.gz	GGLUSSBCBSGZEQ-NNGLDNROSA-N	1	0	273.464	4.467	1	0		CIAFRO
CC[NH+](CC)CCCNc1ccc(-c2ccccc2)cc1	ZINC000005839417	170146242	/nfs/dbraw/zinc/14/62/42/170146242.db2.gz	UICCVLWRLNYCPT-UHFFFAOYSA-N	1	0	282.431	4.497	1	0		CIAFRO
[NH2+]=C(C=Cc1cccc(Cl)c1)NCc1ccccc1	ZINC000013487829	170555632	/nfs/dbraw/zinc/55/56/32/170555632.db2.gz	ZAUMCWHDNZJVKX-MDZDMXLPSA-N	1	0	270.763	4.120	1	0		CIAFRO
CCc1cccc(N(C)C(=[NH2+])Nc2ccc(Cl)cc2)c1	ZINC000013776036	170592644	/nfs/dbraw/zinc/59/26/44/170592644.db2.gz	IQDQTHYUBCFPCO-UHFFFAOYSA-N	1	0	287.794	4.385	1	0		CIAFRO
Cc1ccc([C@H]2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000026821023	171500309	/nfs/dbraw/zinc/50/03/09/171500309.db2.gz	GACSVYXAPZCTJB-PKOBYXMFSA-N	1	0	265.400	4.003	1	0		CIAFRO
C[NH+](C)C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccc2cc(O)ccc2c1	ZINC000026991896	171505316	/nfs/dbraw/zinc/50/53/16/171505316.db2.gz	TXMJJPVQXBIOQV-RKOGWWSCSA-N	1	0	295.426	4.237	1	0		CIAFRO
Cn1cc(SC2CC[NH+](C)CC2)c2cc(Cl)ccc21	ZINC000027886929	171536704	/nfs/dbraw/zinc/53/67/04/171536704.db2.gz	UPLRENUYRIMWRF-UHFFFAOYSA-N	1	0	294.851	4.018	1	0		CIAFRO
C[NH2+]C/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl	ZINC000029315237	171593147	/nfs/dbraw/zinc/59/31/47/171593147.db2.gz	ZJOZYSDUPAKSCW-AWNIVKPZSA-N	1	0	293.197	4.040	1	0		CIAFRO
Clc1ccc2[nH]c3c[n+](Cc4ccccc4)ccc3c2c1	ZINC000035814787	172423341	/nfs/dbraw/zinc/42/33/41/172423341.db2.gz	OLZCDHUWEAZPIZ-UHFFFAOYSA-O	1	0	293.777	4.310	1	0		CIAFRO
C[NH+](C)[C@@H]1CC[C@@H](c2c[nH]c3cc(Cl)ccc32)C1	ZINC000038920563	174159257	/nfs/dbraw/zinc/15/92/57/174159257.db2.gz	ZCNBAFGOHQGOOL-ZYHUDNBSSA-N	1	0	262.784	4.019	1	0		CIAFRO
C[C@@H]1c2c(N)c3ccccc3[nH+]c2[C@H]2C[C@@H]1C2(C)C	ZINC000045253292	175336632	/nfs/dbraw/zinc/33/66/32/175336632.db2.gz	KZKATSIFLDWESA-ZMLRMANQSA-N	1	0	252.361	4.064	1	0		CIAFRO
Fc1cccc(Oc2ccccc2)c1C1CC[NH2+]CC1	ZINC000045286471	175353320	/nfs/dbraw/zinc/35/33/20/175353320.db2.gz	PTVWULKTBHSTNS-UHFFFAOYSA-N	1	0	271.335	4.085	1	0	in-vivo	CIAFRO
CN(C)c1cccc(-c2sc3ccccc3c2C[NH3+])c1	ZINC000045340265	175361308	/nfs/dbraw/zinc/36/13/08/175361308.db2.gz	KIWFOQKUXJCIMC-UHFFFAOYSA-N	1	0	282.412	4.093	1	0		CIAFRO
CCCCc1ccc(-c2nc(C[NH2+]CCC)co2)cc1	ZINC000072180904	176334862	/nfs/dbraw/zinc/33/48/62/176334862.db2.gz	SYMZBRXFHCZEOS-UHFFFAOYSA-N	1	0	272.392	4.184	1	0		CIAFRO
C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3Cl)n2)C1	ZINC000068253375	524235226	/nfs/dbraw/zinc/23/52/26/524235226.db2.gz	LASVIRWCDNEXFY-GFCCVEGCSA-N	1	0	290.794	4.227	1	0		CIAFRO
Cc1cc2c(cc[nH+]c2NCc2c(C)cccc2C)n1C	ZINC000049208398	525622031	/nfs/dbraw/zinc/62/20/31/525622031.db2.gz	GQQOBKGSKQCRQT-UHFFFAOYSA-N	1	0	279.387	4.111	1	0		CIAFRO
c1ccc(CCC[n+]2ccc3c(c2)[nH]c2ccccc23)cc1	ZINC000049803409	526465605	/nfs/dbraw/zinc/46/56/05/526465605.db2.gz	QUZCHVIYLYBXAW-UHFFFAOYSA-O	1	0	287.386	4.241	1	0		CIAFRO
CCC[NH+](CCC)[C@H]1C=Cc2c(OC)cccc2[C@H]1C	ZINC000014953308	560227763	/nfs/dbraw/zinc/22/77/63/560227763.db2.gz	YNNTVNSZMGTKJL-PBHICJAKSA-N	1	0	273.420	4.316	1	0	in-vitro	CIAFRO
CCCC[NH+](CCCC)Cc1cc(=O)oc2ccccc12	ZINC000095599615	185015142	/nfs/dbraw/zinc/01/51/42/185015142.db2.gz	XXTULNYAXMHPCE-UHFFFAOYSA-N	1	0	287.403	4.195	3	0		CIAFRO
C[C@H](c1ccc2oc3ccccc3c2c1)n1ccnc1	ZINC000096915854	185129582	/nfs/dbraw/zinc/12/95/82/185129582.db2.gz	YIKHJOPWKXARCS-GFCCVEGCSA-N	1	0	262.312	4.392	1	0		CIAFRO
COc1cc2c(cc1[C@@H](C)[NH+]1CCCC1)C=CC(C)(C)O2	ZINC000096932101	185132223	/nfs/dbraw/zinc/13/22/23/185132223.db2.gz	KIKBEQTUAIDKPB-CYBMUJFWSA-N	1	0	287.403	4.036	1	0		CIAFRO
CO[C@H]1[N+](=O)C(=CCc2cccc3ccccc32)CC1(C)C	ZINC000103079274	185806783	/nfs/dbraw/zinc/80/67/83/185806783.db2.gz	ACOQGEYSPYUWRR-IENJSVCTSA-N	1	0	295.382	4.207	1	0		CIAFRO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)C1(C)O	ZINC000005720883	170132678	/nfs/dbraw/zinc/13/26/78/170132678.db2.gz	PPULLACTYCCYOK-BOECGJLKSA-N	1	0	295.426	4.095	1	0		CIAFRO
CCC1=[NH+][C@H](Cc2ccccc2)c2ccccc2CN1C	ZINC000013600289	170567402	/nfs/dbraw/zinc/56/74/02/170567402.db2.gz	JRKKGUVZBXLKLG-GOSISDBHSA-N	1	0	278.399	4.224	1	0		CIAFRO
CCC[N@H+](CC1CC1)[C@@H]1CCc2ccc3[nH]ccc3c2C1	ZINC000013741735	170586037	/nfs/dbraw/zinc/58/60/37/170586037.db2.gz	JBAXPLUIYUXVCS-MRXNPFEDSA-N	1	0	282.431	4.147	1	0		CIAFRO
CC[C@H]1CCC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13	ZINC000026672326	171495939	/nfs/dbraw/zinc/49/59/39/171495939.db2.gz	YVQUDXXGBTXQLA-PSAKCFHXSA-N	1	0	299.458	4.020	1	0		CIAFRO
CCC[NH2+][C@H]1Cc2ccccc2[C@H](c2ccccc2)C1	ZINC000027408170	171516294	/nfs/dbraw/zinc/51/62/94/171516294.db2.gz	XRJMFZBXMFXPTC-HKUYNNGSSA-N	1	0	265.400	4.133	1	0		CIAFRO
C[N@H+](CC1CC1)[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	ZINC000027656606	171527528	/nfs/dbraw/zinc/52/75/28/171527528.db2.gz	FDBFIJDUKJNGJA-WDYCEAGBSA-N	1	0	267.416	4.210	1	0		CIAFRO
[NH3+]CCc1ccc(Oc2ccccc2)c2ccccc12	ZINC000028654179	171569797	/nfs/dbraw/zinc/56/97/97/171569797.db2.gz	UOYUFGHOHCPBAP-UHFFFAOYSA-N	1	0	263.340	4.133	1	0		CIAFRO
C[NH+](C)[C@@H]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1	ZINC000028819426	171576014	/nfs/dbraw/zinc/57/60/14/171576014.db2.gz	GFNMZMSNUJYADM-CYBMUJFWSA-N	1	0	274.795	4.319	1	0		CIAFRO
C[NH+](C)[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(F)cc21	ZINC000029481331	171600395	/nfs/dbraw/zinc/60/03/95/171600395.db2.gz	JOESEFFNJUCYQM-NVXWUHKLSA-N	1	0	273.326	4.103	1	0		CIAFRO
[NH3+]C[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000037629023	173579784	/nfs/dbraw/zinc/57/97/84/173579784.db2.gz	REEGNXUZOAFZKE-FQEVSTJZSA-N	1	0	273.379	4.444	1	0		CIAFRO
c1ccc2cc(C[N@@H+]3CCc4ccccc4C3)ccc2c1	ZINC000038642473	174150744	/nfs/dbraw/zinc/15/07/44/174150744.db2.gz	JDIHSDYOQSSTDW-UHFFFAOYSA-N	1	0	273.379	4.398	1	0		CIAFRO
Fc1ccc2[nH]cc([C@@H]3CC[C@H]([NH+]4CCCC4)C3)c2c1	ZINC000038778624	174155254	/nfs/dbraw/zinc/15/52/54/174155254.db2.gz	XUQVICPWJMOKDT-OCCSQVGLSA-N	1	0	272.367	4.039	1	0		CIAFRO
Fc1ccc2[nH]cc([C@H]3CC[C@@H]([NH+]4CCCC4)C3)c2c1	ZINC000038778627	174155526	/nfs/dbraw/zinc/15/55/26/174155526.db2.gz	XUQVICPWJMOKDT-GXTWGEPZSA-N	1	0	272.367	4.039	1	0		CIAFRO
C[NH+](C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc21	ZINC000040423343	174258258	/nfs/dbraw/zinc/25/82/58/174258258.db2.gz	NNOXYEGAVKKWOL-SJORKVTESA-N	1	0	287.790	4.467	1	0		CIAFRO
CC[C@H]1CCC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13	ZINC000040460547	174270309	/nfs/dbraw/zinc/27/03/09/174270309.db2.gz	YVQUDXXGBTXQLA-WBCYEJBOSA-N	1	0	299.458	4.020	1	0		CIAFRO
CCCc1ccc2c(c1O)CC[C@H]([NH+](CCC)CCC)C2	ZINC000045192208	175326616	/nfs/dbraw/zinc/32/66/16/175326616.db2.gz	NZCTWKJBDAZLQS-KRWDZBQOSA-N	1	0	289.463	4.324	1	0		CIAFRO
Cc1cc(Nc2ccnc(-c3ccc(Cl)cc3)n2)cc[nH+]1	ZINC000045201979	175327051	/nfs/dbraw/zinc/32/70/51/175327051.db2.gz	PFHBOOBQOJYNRO-UHFFFAOYSA-N	1	0	296.761	4.244	1	0		CIAFRO
CCCC[C@H]1c2cc(OC)c(Cl)cc2CC[N@H+]1C	ZINC000045284474	175353558	/nfs/dbraw/zinc/35/35/58/175353558.db2.gz	VYAPXFMCGMTZHX-AWEZNQCLSA-N	1	0	267.800	4.068	1	0		CIAFRO
Cc1ccc2[nH]c([C@H]3CCC[NH2+]C3)c(-c3ccncc3)c2c1	ZINC000045302470	175354831	/nfs/dbraw/zinc/35/48/31/175354831.db2.gz	KQICDMFHIKZHLQ-HNNXBMFYSA-N	1	0	291.398	4.005	1	0		CIAFRO
Cc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)c(-c3ccncc3)c2c1	ZINC000045302469	175355221	/nfs/dbraw/zinc/35/52/21/175355221.db2.gz	KQICDMFHIKZHLQ-OAHLLOKOSA-N	1	0	291.398	4.005	1	0		CIAFRO
Clc1cc(Cl)cc(-c2ccc3c(c2)CC[NH2+]C3)c1	ZINC000071341527	176130658	/nfs/dbraw/zinc/13/06/58/176130658.db2.gz	YWRVJCYXNWGOSF-UHFFFAOYSA-N	1	0	278.182	4.306	1	0		CIAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccccc2O)n1	ZINC000072102283	176315898	/nfs/dbraw/zinc/31/58/98/176315898.db2.gz	UFYIEMXKBWIDAF-CYBMUJFWSA-N	1	0	288.391	4.106	1	0		CIAFRO
CC(C)(C)[C@H]([NH3+])/C=C/c1ccc(Cl)cc1Cl	ZINC000072114796	176318313	/nfs/dbraw/zinc/31/83/13/176318313.db2.gz	IEJVKGOCPPYGHN-HOSRBBHYSA-N	1	0	258.192	4.380	1	0		CIAFRO
CCC[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(C)c1	ZINC000072118041	176319322	/nfs/dbraw/zinc/31/93/22/176319322.db2.gz	YRGADZZUWQGVFK-INIZCTEOSA-N	1	0	293.414	4.193	1	0		CIAFRO
Cc1ccccc1-c1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)co1	ZINC000072182355	176335162	/nfs/dbraw/zinc/33/51/62/176335162.db2.gz	SYVXUHWAORZMSI-OKILXGFUSA-N	1	0	284.403	4.128	1	0		CIAFRO
C[n+]1ccccc1/C=C/c1ccc(-c2ccccc2)s1	ZINC000049804063	525398901	/nfs/dbraw/zinc/39/89/01/525398901.db2.gz	KNPACINQHDCJOB-ZHACJKMWSA-N	1	0	278.400	4.410	1	0		CIAFRO
CC1(C)O[C@@]2([C@@H]3CCCC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2	ZINC000085543316	560071161	/nfs/dbraw/zinc/07/11/61/560071161.db2.gz	ZDWHBHMQGDULJZ-NNFUDEMPSA-N	1	0	291.479	4.412	1	0	biogenic,in-vitro	CIAFRO
CCC[NH+](CCC)[C@@H]1C=Cc2c(OC)cccc2[C@H]1C	ZINC000014953303	560227837	/nfs/dbraw/zinc/22/78/37/560227837.db2.gz	YNNTVNSZMGTKJL-RHSMWYFYSA-N	1	0	273.420	4.316	1	0	in-vitro	CIAFRO
CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)CC2	ZINC000015148938	560228946	/nfs/dbraw/zinc/22/89/46/560228946.db2.gz	VYXFLLCQSGSEMS-MOPGFXCFSA-N	1	0	280.415	4.134	1	0	in-vitro	CIAFRO
CCC[NH+]1CCC(c2ccc3ccccc3c2)CC1	ZINC000095561318	185009233	/nfs/dbraw/zinc/00/92/33/185009233.db2.gz	JPFBKWSBTOFTQU-UHFFFAOYSA-N	1	0	253.389	4.429	1	0		CIAFRO
CCCC[NH2+][C@@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2	ZINC000096932079	185132477	/nfs/dbraw/zinc/13/24/77/185132477.db2.gz	BVARUCMUZAWQLP-ZDUSSCGKSA-N	1	0	289.419	4.330	1	0		CIAFRO
CCC1=[NH+]c2ccccc2C[C@H](c2ccc(F)cc2)N1C	ZINC000102190323	185771597	/nfs/dbraw/zinc/77/15/97/185771597.db2.gz	VZARMIYCENNWOX-QGZVFWFLSA-N	1	0	282.362	4.495	1	0		CIAFRO
Cc1cccc(-n2cc(CC[NH+](C)C)c3ccccc32)c1C	ZINC000103265555	185822835	/nfs/dbraw/zinc/82/28/35/185822835.db2.gz	BXQRLEGENBWVAD-UHFFFAOYSA-N	1	0	292.426	4.351	1	0		CIAFRO
Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)s1	ZINC000000022997	169507777	/nfs/dbraw/zinc/50/77/77/169507777.db2.gz	WILOFOZUFXLLII-UHFFFAOYSA-N	1	0	284.428	4.309	1	0		CIAFRO
COc1ccc2c(c1)[C@H](c1ccc(C)cc1)[C@@H]1CCC[NH2+][C@H]21	ZINC000005781715	170140052	/nfs/dbraw/zinc/14/00/52/170140052.db2.gz	JCXQGCWQZGBYBF-DFQSSKMNSA-N	1	0	293.410	4.190	1	0		CIAFRO
CCCC1=[NH+][C@H](c2ccccc2)c2ccccc2CN1C	ZINC000013600200	170567640	/nfs/dbraw/zinc/56/76/40/170567640.db2.gz	SIWDRPBJRKAWNE-LJQANCHMSA-N	1	0	278.399	4.420	1	0		CIAFRO
CC(C)CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1CC(C)C	ZINC000015924655	170682142	/nfs/dbraw/zinc/68/21/42/170682142.db2.gz	DGQASVOUFYTRKQ-KRWDZBQOSA-N	1	0	287.451	4.231	3	0		CIAFRO
c1ccc(CC[N@H+]2CC=C(c3ccccc3)CC2)cc1	ZINC000027518038	171518326	/nfs/dbraw/zinc/51/83/26/171518326.db2.gz	OMPIVYRGRQALIQ-UHFFFAOYSA-N	1	0	263.384	4.018	1	0		CIAFRO
c1cc2c(s1)[C@]1([NH2+]Cc3ccccc3)CCCC[C@H]1C2	ZINC000027739471	171530725	/nfs/dbraw/zinc/53/07/25/171530725.db2.gz	JMZBULZJXMPEJX-WMZOPIPTSA-N	1	0	283.440	4.480	1	0		CIAFRO
CC(C)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCC[NH2+]1	ZINC000035090388	171973040	/nfs/dbraw/zinc/97/30/40/171973040.db2.gz	SSUIQPFKMQJHGV-GJZGRUSLSA-N	1	0	251.801	4.222	1	0	in-vitro	CIAFRO
CC[C@@H](C)CNc1[nH+]ccc2[nH]c3ccccc3c21	ZINC000040431028	174260069	/nfs/dbraw/zinc/26/00/69/174260069.db2.gz	YZWMTFORQSIEAP-LLVKDONJSA-N	1	0	253.349	4.174	1	0		CIAFRO
CC[N@H+]1Cc2c(C)c(C)ccc2[C@H](c2ccccc2)C1	ZINC000040565271	174337133	/nfs/dbraw/zinc/33/71/33/174337133.db2.gz	KXHNOIFAYOEWOY-IBGZPJMESA-N	1	0	265.400	4.271	1	0		CIAFRO
O[C@H]1/C(=C/c2ccccc2)CCCC[C@@H]1C[NH+]1CCCCC1	ZINC000040940655	174437195	/nfs/dbraw/zinc/43/71/95/174437195.db2.gz	ZTPACSYRPLTUOU-QCKBSDDKSA-N	1	0	299.458	4.107	1	0		CIAFRO
[NH3+]Cc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1	ZINC000043020165	174944925	/nfs/dbraw/zinc/94/49/25/174944925.db2.gz	KZJUWSNJQLYDFA-UHFFFAOYSA-N	1	0	299.377	4.356	1	0		CIAFRO
CC(C)C[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000045253931	175336893	/nfs/dbraw/zinc/33/68/93/175336893.db2.gz	WEKVVEUCXILQOT-AWEZNQCLSA-N	1	0	281.827	4.326	1	0	in-vitro	CIAFRO
[NH3+]Cc1ccc(Oc2csc3ccccc23)cc1	ZINC000045353802	175362217	/nfs/dbraw/zinc/36/22/17/175362217.db2.gz	DRKKMXFWHBPGMO-UHFFFAOYSA-N	1	0	255.342	4.152	1	0		CIAFRO
CC(C)(C)[C@@H]([NH3+])/C=C/c1ccc(Cl)cc1Cl	ZINC000072114797	176318105	/nfs/dbraw/zinc/31/81/05/176318105.db2.gz	IEJVKGOCPPYGHN-PZBABLGHSA-N	1	0	258.192	4.380	1	0		CIAFRO
[NH2+]=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1	ZINC000013487830	518196814	/nfs/dbraw/zinc/19/68/14/518196814.db2.gz	SFCUSEWZEGWALW-DHZHZOJOSA-N	1	0	270.763	4.120	1	0		CIAFRO
Fc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CC[NH2+]2)cc1	ZINC000061942599	526313952	/nfs/dbraw/zinc/31/39/52/526313952.db2.gz	YRTVSDMZBLKNNE-DYVFJYSZSA-N	1	0	253.320	4.014	1	0		CIAFRO
[NH3+][C@@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1	ZINC000066101534	527377126	/nfs/dbraw/zinc/37/71/26/527377126.db2.gz	RAQYAPJFZWPJNL-LLVKDONJSA-N	1	0	293.197	4.015	1	0		CIAFRO
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH3+])CC[C@]12C	ZINC000095590345	185013640	/nfs/dbraw/zinc/01/36/40/185013640.db2.gz	OIBXKYQJCDPWOZ-NYLIBXOJSA-N	1	0	295.511	4.353	1	0		CIAFRO
CCCC[NH2+][C@H](C)c1cc2c(cc1OC)OC(C)(C)CC2	ZINC000096932124	185132515	/nfs/dbraw/zinc/13/25/15/185132515.db2.gz	VDVXSYASCNKSQO-CYBMUJFWSA-N	1	0	291.435	4.250	1	0		CIAFRO
CC(C)(C)Nc1c(Cc2ccccc2)[nH+]c2ccccn21	ZINC000000320135	169608083	/nfs/dbraw/zinc/60/80/83/169608083.db2.gz	RBDGXDWGQAXQMW-UHFFFAOYSA-N	1	0	279.387	4.136	1	0		CIAFRO
NC(=[NH2+])SCc1ccc2c(c1)Sc1ccccc1O2	ZINC000005847608	170146916	/nfs/dbraw/zinc/14/69/16/170146916.db2.gz	UHWCCXMASWSWKZ-UHFFFAOYSA-N	1	0	288.397	4.070	1	0		CIAFRO
CCC[NH+](CCC)[C@H]1CCc2ccc3cc[nH]c3c2C1	ZINC000013738691	170585284	/nfs/dbraw/zinc/58/52/84/170585284.db2.gz	MCMMNBMKDJGGIV-INIZCTEOSA-N	1	0	270.420	4.147	1	0		CIAFRO
C[NH2+]C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccc2cc(OC)ccc2c1	ZINC000026964019	171504103	/nfs/dbraw/zinc/50/41/03/171504103.db2.gz	RPEDEMBGNMELBV-RKOGWWSCSA-N	1	0	295.426	4.198	1	0		CIAFRO
CCCC[NH+](CCCC)[C@H]1C[C@H]1c1ccccc1O	ZINC000028099960	171547401	/nfs/dbraw/zinc/54/74/01/171547401.db2.gz	VUAMCXQYBIHJJP-HOTGVXAUSA-N	1	0	261.409	4.150	1	0		CIAFRO
C[NH2+][C@@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc21	ZINC000029480029	171599939	/nfs/dbraw/zinc/59/99/39/171599939.db2.gz	ZEXDXAZYHUYJAL-HZPDHXFCSA-N	1	0	257.764	4.136	1	0		CIAFRO
Cc1ccc([C@H]2C[N@@H+](C)Cc3sc(Cl)cc32)cc1	ZINC000038157551	174134247	/nfs/dbraw/zinc/13/42/47/174134247.db2.gz	AGFULRKIIVJPFC-CYBMUJFWSA-N	1	0	277.820	4.287	1	0		CIAFRO
CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CC[NH2+][C@@H]12	ZINC000038329145	174139627	/nfs/dbraw/zinc/13/96/27/174139627.db2.gz	TWRZIFGLJFJQJK-VQTJNVASSA-N	1	0	296.458	4.386	1	0	in-vivo	CIAFRO
Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccccc1	ZINC000040981171	174445523	/nfs/dbraw/zinc/44/55/23/174445523.db2.gz	BTTUUWOQKXRGBG-SFHVURJKSA-N	1	0	294.373	4.474	1	0		CIAFRO
Cc1ccc(C2CC[NH2+]CC2)c(Oc2cccc(F)c2)c1	ZINC000045261915	175337258	/nfs/dbraw/zinc/33/72/58/175337258.db2.gz	BBYFZRZFESDGLZ-UHFFFAOYSA-N	1	0	285.362	4.393	1	0	in-vivo	CIAFRO
CC(C)[N@H+](C)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072180529	176334688	/nfs/dbraw/zinc/33/46/88/176334688.db2.gz	OEKNQWZIIXWMGP-UHFFFAOYSA-N	1	0	286.419	4.479	1	0		CIAFRO
C[C@@H]1CCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072183593	176335106	/nfs/dbraw/zinc/33/51/06/176335106.db2.gz	CCBFSAURRZGINT-CQSZACIVSA-N	1	0	292.382	4.479	1	0		CIAFRO
C[N@@H+]1CCCC[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000095585029	185012834	/nfs/dbraw/zinc/01/28/34/185012834.db2.gz	NYADKXRJISYHGA-NSHDSACASA-N	1	0	258.192	4.193	1	0		CIAFRO
Clc1ccccc1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1	ZINC000095592887	185014210	/nfs/dbraw/zinc/01/42/10/185014210.db2.gz	KBLODNDMWLXBEK-YOEHRIQHSA-N	1	0	287.790	4.070	1	0		CIAFRO
CC(C)(C)c1ccc(-c2ccnc3c(C[NH3+])ccnc23)cc1	ZINC000096915506	185128848	/nfs/dbraw/zinc/12/88/48/185128848.db2.gz	DGEAZXRBXSBNAH-UHFFFAOYSA-N	1	0	291.398	4.053	1	0		CIAFRO
CC(C)(C)[C@@H]1CC(=O)C[C@@H](C(C)(C)C)[NH+]1C(C)(C)C	ZINC000103221694	185816762	/nfs/dbraw/zinc/81/67/62/185816762.db2.gz	WQMIHDHXRLMSIL-KBPBESRZSA-N	1	0	267.457	4.279	1	0		CIAFRO
CCO[C@H](c1ccc(Cl)cc1)[C@@H](C)C1CC[NH2+]CC1	ZINC000169329754	188658812	/nfs/dbraw/zinc/65/88/12/188658812.db2.gz	KPBIBLBDUBEQTM-LRDDRELGSA-N	1	0	281.827	4.053	1	0		CIAFRO
C[N+]1=C(C=CNc2ccccc2)C(C)(C)c2ccccc21	ZINC000003985831	169927435	/nfs/dbraw/zinc/92/74/35/169927435.db2.gz	CUWPYPZFLVWSCO-UHFFFAOYSA-O	1	0	277.391	4.318	3	0		CIAFRO
Cc1ccc(O[C@@H](c2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1	ZINC000013530732	170558456	/nfs/dbraw/zinc/55/84/56/170558456.db2.gz	APDAFEORIXULGY-APWZRJJASA-N	1	0	299.389	4.254	1	0		CIAFRO
[NH3+]CCCCCCCCCCCCc1cccnc1	ZINC000013531727	170559214	/nfs/dbraw/zinc/55/92/14/170559214.db2.gz	JAXLDMXXLBSGOC-UHFFFAOYSA-N	1	0	262.441	4.484	1	0		CIAFRO
CCCC[N@@H+](c1ccncc1)n1ccc2ccccc21	ZINC000013745936	170587486	/nfs/dbraw/zinc/58/74/86/170587486.db2.gz	OSRPQIAWURAKDF-UHFFFAOYSA-N	1	0	265.360	4.106	1	0	in-vivo	CIAFRO
c1ccc([C@@H]2Cc3ccccc3NC(C3CC3)=[NH+]2)cc1	ZINC000027092036	171507203	/nfs/dbraw/zinc/50/72/03/171507203.db2.gz	FPISNSPKMKWBFO-KRWDZBQOSA-N	1	0	262.356	4.204	1	0		CIAFRO
C[N@H+](C/C=C/c1ccccc1)CC1=CCOc2ccccc21	ZINC000028247818	171553667	/nfs/dbraw/zinc/55/36/67/171553667.db2.gz	YAHOBIQNQUONNK-JXMROGBWSA-N	1	0	291.394	4.108	1	0		CIAFRO
[NH3+]C[C@H]1C[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1	ZINC000034893403	171891661	/nfs/dbraw/zinc/89/16/61/171891661.db2.gz	JVGAIXKVTBBDFD-GDBMZVCRSA-N	1	0	291.316	4.435	1	0		CIAFRO
C[NH+](C)CCC1=C[C@H](Cc2ccccc2)c2ccccc21	ZINC000036458045	172637244	/nfs/dbraw/zinc/63/72/44/172637244.db2.gz	CKYIFJXFLBXUQQ-SFHVURJKSA-N	1	0	277.411	4.362	1	0	in-vivo	CIAFRO
C[C@@H](NC1=[NH+]CCCCC1)c1cccc2ccccc21	ZINC000038438340	174141355	/nfs/dbraw/zinc/14/13/55/174141355.db2.gz	HXYINLUGRSVUCZ-CQSZACIVSA-N	1	0	266.388	4.463	1	0		CIAFRO
c1cc2cc([C@]3(Cc4ccccc4)CC[NH2+]C3)ccc2s1	ZINC000040423909	174258531	/nfs/dbraw/zinc/25/85/31/174258531.db2.gz	VVROCSNBKQTQEO-IBGZPJMESA-N	1	0	293.435	4.375	1	0	in-vivo	CIAFRO
c1ccc(C[C@H]2CCC[C@@H](c3ccccc3)[NH2+]2)cc1	ZINC000040980506	174445690	/nfs/dbraw/zinc/44/56/90/174445690.db2.gz	URQMHDBKJBHVCR-MSOLQXFVSA-N	1	0	251.373	4.113	1	0		CIAFRO
CCCC[C@@H]1c2cc(OC)c(Cl)cc2CC[N@H+]1C	ZINC000045284472	175353512	/nfs/dbraw/zinc/35/35/12/175353512.db2.gz	VYAPXFMCGMTZHX-CQSZACIVSA-N	1	0	267.800	4.068	1	0		CIAFRO
CCCC[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000045290486	175354107	/nfs/dbraw/zinc/35/41/07/175354107.db2.gz	WSLDIWPVDFGUNH-CQSZACIVSA-N	1	0	281.827	4.470	1	0	in-vivo	CIAFRO
CC(C)[N@H+](C)Cc1coc(-c2cccc3ccccc32)n1	ZINC000072181181	176334805	/nfs/dbraw/zinc/33/48/05/176334805.db2.gz	XEYQFXHYKDHBRC-UHFFFAOYSA-N	1	0	280.371	4.335	1	0		CIAFRO
C[NH+](C)[C@H]1CCN2c3ccccc3Sc3cccc1c32	ZINC000055646877	522105804	/nfs/dbraw/zinc/10/58/04/522105804.db2.gz	XGYHDRUNNACRFL-ZDUSSCGKSA-N	1	0	282.412	4.296	1	0		CIAFRO
CCC[NH+]1CCC(c2cc3ccccc3s2)CC1	ZINC000095558907	185009679	/nfs/dbraw/zinc/00/96/79/185009679.db2.gz	ZSFVXIXYHJMAHE-UHFFFAOYSA-N	1	0	259.418	4.491	1	0		CIAFRO
Clc1ccccc1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1	ZINC000095587969	185012552	/nfs/dbraw/zinc/01/25/52/185012552.db2.gz	KBLODNDMWLXBEK-RHSMWYFYSA-N	1	0	287.790	4.070	1	0		CIAFRO
CO[C@@H]1[N+](=O)C(=CCc2cccc3ccccc32)CC1(C)C	ZINC000095583039	185012795	/nfs/dbraw/zinc/01/27/95/185012795.db2.gz	ACOQGEYSPYUWRR-DXRVJIQQSA-N	1	0	295.382	4.207	1	0		CIAFRO
CCCC[NH2+][C@@H](C)c1cc2c(cc1OC)OC(C)(C)CC2	ZINC000096932122	185131870	/nfs/dbraw/zinc/13/18/70/185131870.db2.gz	VDVXSYASCNKSQO-ZDUSSCGKSA-N	1	0	291.435	4.250	1	0		CIAFRO
C[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)C(=O)c1ccccc1	ZINC000117587876	186753342	/nfs/dbraw/zinc/75/33/42/186753342.db2.gz	NNSUFWUBGVRKIL-KMYSJOAASA-N	1	0	297.442	4.064	1	0		CIAFRO
CCC[N@H+](C)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	ZINC000169359918	188660665	/nfs/dbraw/zinc/66/06/65/188660665.db2.gz	DCHNYRBEPPOJBF-AZUAARDMSA-N	1	0	279.427	4.475	1	0		CIAFRO
Fc1ccccc1[C@@H]1SCC2=[NH+]c3ccccc3CN21	ZINC000006003071	170167176	/nfs/dbraw/zinc/16/71/76/170167176.db2.gz	BXYGTAGKUYHPEC-INIZCTEOSA-N	1	0	284.359	4.117	1	0		CIAFRO
N=C(c1cccs1)C1([NH+]2CCCCC2)CCCCC1	ZINC000006017883	170168695	/nfs/dbraw/zinc/16/86/95/170168695.db2.gz	REJZZKFPYQUFFT-UHFFFAOYSA-N	1	0	276.449	4.305	1	0		CIAFRO
CCCC1(O)CCC(c2ccc(Cl)cc2)([NH+](C)C)CC1	ZINC000027329761	171513537	/nfs/dbraw/zinc/51/35/37/171513537.db2.gz	YLEOAHZSHVYTRR-UHFFFAOYSA-N	1	0	295.854	4.202	1	0		CIAFRO
Cc1ccccc1[C@H]1c2ccccc2[C@H]2[NH2+]CCC[C@H]21	ZINC000027439686	171517783	/nfs/dbraw/zinc/51/77/83/171517783.db2.gz	NWGRBFWGGWYBEZ-GBESFXJTSA-N	1	0	263.384	4.181	1	0		CIAFRO
Cc1cccc([C@@H]2SC3(CC[NH2+]CC3)c3ccccc32)c1	ZINC000027874493	171535704	/nfs/dbraw/zinc/53/57/04/171535704.db2.gz	ZQOLDYCWUAXUPZ-SFHVURJKSA-N	1	0	295.451	4.410	1	0		CIAFRO
C[NH+](C)C[C@H]1Cc2cccc3c4c(n(c32)C1)CCCCCC4	ZINC000028096158	171547677	/nfs/dbraw/zinc/54/76/77/171547677.db2.gz	AFNOIIFNSZDTJD-OAHLLOKOSA-N	1	0	296.458	4.034	1	0		CIAFRO
C[NH2+]CCC1=C[C@H](CCc2ccccc2)c2ccccc21	ZINC000028523299	171561745	/nfs/dbraw/zinc/56/17/45/171561745.db2.gz	LDXCGWWDUYGVEW-KRWDZBQOSA-N	1	0	277.411	4.410	1	0		CIAFRO
Clc1cccc(-c2cncc([C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2)c1	ZINC000029123246	171586088	/nfs/dbraw/zinc/58/60/88/171586088.db2.gz	NQAZAJCJFXHLDK-IKGGRYGDSA-N	1	0	284.790	4.010	1	0		CIAFRO
CCCc1cc2c(s1)C[N@H+](C)C[C@H]2c1ccc(F)cc1	ZINC000038157563	174135023	/nfs/dbraw/zinc/13/50/23/174135023.db2.gz	SIKYUYQNMZUMHE-INIZCTEOSA-N	1	0	289.419	4.417	1	0		CIAFRO
CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CC[NH2+][C@@H]12	ZINC000038329144	174139349	/nfs/dbraw/zinc/13/93/49/174139349.db2.gz	TWRZIFGLJFJQJK-PMACEKPBSA-N	1	0	296.458	4.386	1	0	in-vivo	CIAFRO
C[NH+](C)[C@@H]1CC[C@@H](c2c[nH]c3ccc(Cl)cc32)C1	ZINC000038526172	174143932	/nfs/dbraw/zinc/14/39/32/174143932.db2.gz	DYOYYGBHMXEZCE-ZYHUDNBSSA-N	1	0	262.784	4.019	1	0		CIAFRO
C[NH+](C)[C@H]1CC[C@@H](c2c[nH]c3ccc(Cl)cc32)C1	ZINC000038526173	174144283	/nfs/dbraw/zinc/14/42/83/174144283.db2.gz	DYOYYGBHMXEZCE-PWSUYJOCSA-N	1	0	262.784	4.019	1	0		CIAFRO
c1cc2cc([C@@]3(Cc4ccccc4)CC[NH2+]C3)ccc2s1	ZINC000040423908	174258265	/nfs/dbraw/zinc/25/82/65/174258265.db2.gz	VVROCSNBKQTQEO-LJQANCHMSA-N	1	0	293.435	4.375	1	0	in-vivo	CIAFRO
CCC[C@@H](C)Nc1[nH+]ccc2[nH]c3ccccc3c21	ZINC000040429979	174259311	/nfs/dbraw/zinc/25/93/11/174259311.db2.gz	KGEYNLYMGMIPGL-LLVKDONJSA-N	1	0	253.349	4.317	1	0		CIAFRO
c1ccc(CC[C@H]2CCC[C@@H](Cc3ccccc3)[NH2+]2)cc1	ZINC000040847760	174419863	/nfs/dbraw/zinc/41/98/63/174419863.db2.gz	SOVWMQSGUMWMAH-UXHICEINSA-N	1	0	279.427	4.373	1	0		CIAFRO
CSc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)cc1	ZINC000040848030	174420142	/nfs/dbraw/zinc/42/01/42/174420142.db2.gz	QEQAMHYLSSHHKL-CQSZACIVSA-N	1	0	271.429	4.129	1	0		CIAFRO
Cc1cccc(C)c1CNc1cc[nH+]c2ccccc12	ZINC000045211060	175329247	/nfs/dbraw/zinc/32/92/47/175329247.db2.gz	IZALVDHFKIVNLU-UHFFFAOYSA-N	1	0	262.356	4.464	1	0		CIAFRO
CCCC[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000045290483	175354159	/nfs/dbraw/zinc/35/41/59/175354159.db2.gz	WSLDIWPVDFGUNH-AWEZNQCLSA-N	1	0	281.827	4.470	1	0	in-vivo	CIAFRO
Clc1ccc([C@H](c2cccnc2)[NH+]2CCCCC2)cc1	ZINC000072102700	176315960	/nfs/dbraw/zinc/31/59/60/176315960.db2.gz	JOLUAMCIRBKGCH-QGZVFWFLSA-N	1	0	286.806	4.310	1	0		CIAFRO
CCCCc1ccc(-c2nc(C[NH2+]C(C)C)co2)cc1	ZINC000072184581	176335151	/nfs/dbraw/zinc/33/51/51/176335151.db2.gz	BQJWXKPYFKJBKA-UHFFFAOYSA-N	1	0	272.392	4.182	1	0		CIAFRO
C[C@H]1CCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072183594	176335270	/nfs/dbraw/zinc/33/52/70/176335270.db2.gz	CCBFSAURRZGINT-AWEZNQCLSA-N	1	0	292.382	4.479	1	0		CIAFRO
CCC1=C[C@@H]2C[C@H](C1)Cc1[nH+]c3ccccc3c(N)c12	ZINC000027525519	581091917	/nfs/dbraw/zinc/09/19/17/581091917.db2.gz	JTXWLCKLIIRZKL-QWHCGFSZSA-N	1	0	264.372	4.203	1	0		CIAFRO
c1ccc(Cc2ccc(CCC[NH+]3CCCC3)cc2)cc1	ZINC000013805410	581091968	/nfs/dbraw/zinc/09/19/68/581091968.db2.gz	IUPZSGDMAHBSBB-UHFFFAOYSA-N	1	0	279.427	4.306	1	0		CIAFRO
CC(C)CC[N@@H+]1CCC[C@@H](Nc2cccc3cnccc32)C1	ZINC000028641917	581097060	/nfs/dbraw/zinc/09/70/60/581097060.db2.gz	XKFVECMYSQQWFL-QGZVFWFLSA-N	1	0	297.446	4.157	1	0		CIAFRO
CC(C)CC[N@@H+]1CCC[C@H](Nc2cccc3cnccc32)C1	ZINC000028641919	581097047	/nfs/dbraw/zinc/09/70/47/581097047.db2.gz	XKFVECMYSQQWFL-KRWDZBQOSA-N	1	0	297.446	4.157	1	0		CIAFRO
c1cc2c(s1)C1(CC[NH+](Cc3ccccc3)CC1)OC=C2	ZINC000095557644	185009272	/nfs/dbraw/zinc/00/92/72/185009272.db2.gz	NCZBEGDTXJBOJZ-UHFFFAOYSA-N	1	0	297.423	4.240	1	0		CIAFRO
C[N@H+]1Cc2ccccc2[C@@H](c2ccc(Cl)c(F)c2)C1	ZINC000095560360	185009448	/nfs/dbraw/zinc/00/94/48/185009448.db2.gz	FZJAPDJONFNIEV-CQSZACIVSA-N	1	0	275.754	4.056	1	0		CIAFRO
CCC[NH+]1CCC(c2cccc(OC(C)(C)C)c2)CC1	ZINC000095589605	185014679	/nfs/dbraw/zinc/01/46/79/185014679.db2.gz	ZWRXWLKWIBQILZ-UHFFFAOYSA-N	1	0	275.436	4.453	1	0		CIAFRO
Clc1ccc2c(c1)CC[C@H]1[NH2+]C[C@H](c3ccccc3)[C@@H]21	ZINC000096929837	185131913	/nfs/dbraw/zinc/13/19/13/185131913.db2.gz	YJTXADGPCUCDFY-KZNAEPCWSA-N	1	0	283.802	4.125	1	0		CIAFRO
Clc1cccc2c1CC[C@H]1[NH2+]C[C@H](c3ccccc3)[C@@H]21	ZINC000096929835	185132314	/nfs/dbraw/zinc/13/23/14/185132314.db2.gz	NCPFSSICYASJEG-KBAYOESNSA-N	1	0	283.802	4.125	1	0		CIAFRO
CCC[N@H+](CC(C)(C)C)[C@H]1CCc2c(cccc2OC)C1	ZINC000169329004	188658807	/nfs/dbraw/zinc/65/88/07/188658807.db2.gz	KEGPWYCWWLADND-INIZCTEOSA-N	1	0	289.463	4.311	1	0		CIAFRO
CC(C)=CC[C@@]12Cc3ccc(O)cc3[C@@H]([C@@H](C)C[NH2+]1)[C@@H]2C	ZINC000005941740	170159929	/nfs/dbraw/zinc/15/99/29/170159929.db2.gz	GKRHGVFQRKXOAH-LSOMNZGLSA-N	1	0	285.431	4.002	1	0		CIAFRO
C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1ccco1	ZINC000013588087	170566637	/nfs/dbraw/zinc/56/66/37/170566637.db2.gz	GOZODOHXYHQNFU-SFHVURJKSA-N	1	0	281.355	4.162	1	0		CIAFRO
C[C@H]1C[NH+]=C(Nc2ccccc2)N1CCC1CCCCC1	ZINC000015924651	170682124	/nfs/dbraw/zinc/68/21/24/170682124.db2.gz	DOCYIWXCRCNVKG-HNNXBMFYSA-N	1	0	285.435	4.129	3	0		CIAFRO
CC[NH2+]CCS[C@H]1Cc2ccccc2Oc2ccccc21	ZINC000027558187	171521153	/nfs/dbraw/zinc/52/11/53/171521153.db2.gz	UVEYXVMGFQASEJ-SFHVURJKSA-N	1	0	299.439	4.419	1	0		CIAFRO
Cc1ccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cnc2Cl)cc1	ZINC000028528447	171562733	/nfs/dbraw/zinc/56/27/33/171562733.db2.gz	GEQUKLIRKGTQOY-VYDXJSESSA-N	1	0	298.817	4.318	1	0		CIAFRO
CCC[C@H](C)Nc1[nH+]ccc2[nH]c3ccccc3c21	ZINC000040429981	174259455	/nfs/dbraw/zinc/25/94/55/174259455.db2.gz	KGEYNLYMGMIPGL-NSHDSACASA-N	1	0	253.349	4.317	1	0		CIAFRO
C[N@H+]([C@H]1CCc2ccccc21)[C@@H]1CCC(=O)c2ccccc21	ZINC000045316132	175357744	/nfs/dbraw/zinc/35/77/44/175357744.db2.gz	REOZAYVAGVYMBV-RBUKOAKNSA-N	1	0	291.394	4.324	1	0		CIAFRO
[NH3+]C[C@H](OCc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000072120390	176319727	/nfs/dbraw/zinc/31/97/27/176319727.db2.gz	KIWGIRPVCUYQKI-HNNXBMFYSA-N	1	0	296.197	4.210	1	0		CIAFRO
Cc1ccccc1-c1nc(C[NH+]2CCCCCC2)co1	ZINC000072139616	176322604	/nfs/dbraw/zinc/32/26/04/176322604.db2.gz	TUOCKMQXLLCBET-UHFFFAOYSA-N	1	0	270.376	4.026	1	0		CIAFRO
c1oc(-c2cccc3ccccc32)nc1C[NH+]1CCCCC1	ZINC000072185917	176335764	/nfs/dbraw/zinc/33/57/64/176335764.db2.gz	HYMQFNYPWMZYLB-UHFFFAOYSA-N	1	0	292.382	4.481	1	0		CIAFRO
Clc1ccc(-c2nc(C[NH2+]C3CCCC3)co2)cc1	ZINC000072186122	176335981	/nfs/dbraw/zinc/33/59/81/176335981.db2.gz	KCJPYMPXVXSYHH-UHFFFAOYSA-N	1	0	276.767	4.027	1	0		CIAFRO
C[NH+](C)CC/C(=C1/C[C@@H]2CC[C@H]1C2)c1ccccc1	ZINC000072266860	176352684	/nfs/dbraw/zinc/35/26/84/176352684.db2.gz	YZIDXWNNAXTCQH-BRDLOHTJSA-N	1	0	255.405	4.212	1	0	in-man	CIAFRO
C[NH2+]CC1(c2cccc3ccccc32)CCCCC1	ZINC000066098306	521972279	/nfs/dbraw/zinc/97/22/79/521972279.db2.gz	WQBHQWJJWWMKPS-UHFFFAOYSA-N	1	0	253.389	4.261	1	0		CIAFRO
CCC[NH+](CCC)[C@@H]1C=Cc2c(OC)cccc2[C@@H]1C	ZINC000014953293	560227761	/nfs/dbraw/zinc/22/77/61/560227761.db2.gz	YNNTVNSZMGTKJL-WMLDXEAASA-N	1	0	273.420	4.316	1	0	in-vitro	CIAFRO
Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1	ZINC000095581363	185011392	/nfs/dbraw/zinc/01/13/92/185011392.db2.gz	ZQWHZTOWZUXUFZ-UHFFFAOYSA-N	1	0	291.822	4.104	1	0		CIAFRO
C[N@@H+]1CCCC[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000095585030	185012607	/nfs/dbraw/zinc/01/26/07/185012607.db2.gz	NYADKXRJISYHGA-LLVKDONJSA-N	1	0	258.192	4.193	1	0		CIAFRO
CCCCOc1ccc(C2=[NH+]CC(C)(C)N2)c2ccccc12	ZINC000169322350	188658106	/nfs/dbraw/zinc/65/81/06/188658106.db2.gz	SVZRFSMLNSZUOY-UHFFFAOYSA-N	1	0	296.414	4.147	1	0		CIAFRO
C[NH+](C)CCC[C@H](c1cccc(Cl)c1)c1ccccn1	ZINC000169350434	188660162	/nfs/dbraw/zinc/66/01/62/188660162.db2.gz	PSTSHDKJDQIGBT-MRXNPFEDSA-N	1	0	288.822	4.209	1	0		CIAFRO
c1c2ccccc2sc1CC[C@@H]1C[NH+]2CCC1CC2	ZINC000003992146	169927475	/nfs/dbraw/zinc/92/74/75/169927475.db2.gz	MBQTZDNDJHEQDS-OAHLLOKOSA-N	1	0	271.429	4.176	1	0		CIAFRO
Cc1cccc2cc(C[NH2+]C3CCCC3)c(Cl)nc12	ZINC000004890459	170036284	/nfs/dbraw/zinc/03/62/84/170036284.db2.gz	MRJDBOASBDYEGB-UHFFFAOYSA-N	1	0	274.795	4.229	3	0		CIAFRO
Cc1ccc(C23C[C@H]4C[C@@H](C2)CC([C@@H](C)[NH3+])(C4)C3)cc1C	ZINC000005175647	170073416	/nfs/dbraw/zinc/07/34/16/170073416.db2.gz	OUCDHLGWYZOVEX-JMLUXXDHSA-N	1	0	283.459	4.489	1	0		CIAFRO
c1ccc(-c2ccc(C3=CCC[C@@H]4CC[C@H]3[NH2+]4)cn2)cc1	ZINC000013537459	170559824	/nfs/dbraw/zinc/55/98/24/170559824.db2.gz	GGSJOBXYOUMOBW-VQIMIIECSA-N	1	0	276.383	4.046	1	0		CIAFRO
COc1ccc2c(cccc2CCC[NH+]2CCCCC2)c1	ZINC000013678052	170577093	/nfs/dbraw/zinc/57/70/93/170577093.db2.gz	KUKSPSOQFDNBNK-UHFFFAOYSA-N	1	0	283.415	4.267	1	0		CIAFRO
C[C@@H]1[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]1Cc1ccccc12	ZINC000013801912	170595691	/nfs/dbraw/zinc/59/56/91/170595691.db2.gz	MOUPZSHFYULSRO-XFQXTVEOSA-N	1	0	277.411	4.237	1	0		CIAFRO
CC(C)c1cc(C[NH+]2CCSCC2)cc(C(C)C)c1O	ZINC000028006583	171543865	/nfs/dbraw/zinc/54/38/65/171543865.db2.gz	YZLZRMPULONWJU-UHFFFAOYSA-N	1	0	293.476	4.188	1	0		CIAFRO
C[C@@H](c1nccs1)C1=C(CC[NH+](C)C)Cc2ccccc21	ZINC000038236795	174137559	/nfs/dbraw/zinc/13/75/59/174137559.db2.gz	DTQWVENQVGQFAP-CYBMUJFWSA-N	1	0	298.455	4.208	1	0		CIAFRO
c1ccc(CC[N@@H+]2CC[C@H]3C[C@@H](C2)c2ccccc23)cc1	ZINC000039221693	174166049	/nfs/dbraw/zinc/16/60/49/174166049.db2.gz	WGYGILFTKIRAAY-ROUUACIJSA-N	1	0	277.411	4.206	1	0		CIAFRO
C[NH2+]Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	ZINC000040565122	174337239	/nfs/dbraw/zinc/33/72/39/174337239.db2.gz	KBQDWEGBZLNJAR-UHFFFAOYSA-N	1	0	298.169	4.211	1	0		CIAFRO
Fc1ccccc1Oc1cccc(F)c1C1CC[NH2+]CC1	ZINC000045367370	175363309	/nfs/dbraw/zinc/36/33/09/175363309.db2.gz	ZSIHFDAUAFSTIM-UHFFFAOYSA-N	1	0	289.325	4.224	1	0	in-vivo	CIAFRO
Clc1ccc([C@@H](c2cccnc2)[NH+]2CCCCC2)cc1	ZINC000072102701	176315876	/nfs/dbraw/zinc/31/58/76/176315876.db2.gz	JOLUAMCIRBKGCH-KRWDZBQOSA-N	1	0	286.806	4.310	1	0		CIAFRO
CCC[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(F)c1	ZINC000072118855	176319161	/nfs/dbraw/zinc/31/91/61/176319161.db2.gz	PEJZTOUWCNNSEZ-HNNXBMFYSA-N	1	0	297.377	4.024	1	0		CIAFRO
Cc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2C)co1	ZINC000072181901	176335245	/nfs/dbraw/zinc/33/52/45/176335245.db2.gz	MXLOLKRFYASXKK-AWEZNQCLSA-N	1	0	270.376	4.024	1	0		CIAFRO
c1ccc(O[C@H](c2ccc3ccccc3c2)C2C[NH2+]C2)cc1	ZINC000095552307	185008766	/nfs/dbraw/zinc/00/87/66/185008766.db2.gz	UIMUDQPFCACMJA-HXUWFJFHSA-N	1	0	289.378	4.179	1	0		CIAFRO
CC1(C)C2C[C@H]3C[C@@H](C2)CC1([NH2+]Cc1ccccc1)C3	ZINC000095558154	185009299	/nfs/dbraw/zinc/00/92/99/185009299.db2.gz	LVZBBDOQXVJIPA-GIOYIUAESA-N	1	0	269.432	4.381	1	0		CIAFRO
C[C@@H](c1ccc2oc3ccccc3c2c1)n1ccnc1	ZINC000096915853	185128851	/nfs/dbraw/zinc/12/88/51/185128851.db2.gz	YIKHJOPWKXARCS-LBPRGKRZSA-N	1	0	262.312	4.392	1	0		CIAFRO
C[n+]1cc(-c2cccc(C(C)(C)C)c2)nc2ccccc21	ZINC000096915131	185129330	/nfs/dbraw/zinc/12/93/30/185129330.db2.gz	JUTLMBPCMXXVBK-UHFFFAOYSA-N	1	0	277.391	4.024	1	0		CIAFRO
CCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21	ZINC000096922757	185131515	/nfs/dbraw/zinc/13/15/15/185131515.db2.gz	KAWDWRKJPJWIIB-UHFFFAOYSA-N	1	0	287.386	4.150	1	0		CIAFRO
CCO[C@@H](c1ccc(Cl)cc1)[C@H](C)C1CC[NH2+]CC1	ZINC000169329757	188658978	/nfs/dbraw/zinc/65/89/78/188658978.db2.gz	KPBIBLBDUBEQTM-MLGOLLRUSA-N	1	0	281.827	4.053	1	0		CIAFRO
Fc1cccc([C@@H]2SCC3=[NH+]c4ccccc4CN32)c1	ZINC000006003073	170167118	/nfs/dbraw/zinc/16/71/18/170167118.db2.gz	SHMDLNZTNRUVLL-INIZCTEOSA-N	1	0	284.359	4.117	1	0		CIAFRO
CCc1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)csc1C	ZINC000006895157	170253730	/nfs/dbraw/zinc/25/37/30/170253730.db2.gz	PBEVUOIASVFWMT-TXEJJXNPSA-N	1	0	251.439	4.097	1	0		CIAFRO
CCc1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)csc1C	ZINC000006895158	170253816	/nfs/dbraw/zinc/25/38/16/170253816.db2.gz	PBEVUOIASVFWMT-RYUDHWBXSA-N	1	0	251.439	4.097	1	0		CIAFRO
Cc1ccc([C@@H]2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000026821014	171500042	/nfs/dbraw/zinc/50/00/42/171500042.db2.gz	GACSVYXAPZCTJB-HKUYNNGSSA-N	1	0	265.400	4.003	1	0		CIAFRO
CCC[NH2+][C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	ZINC000027408184	171516214	/nfs/dbraw/zinc/51/62/14/171516214.db2.gz	XRJMFZBXMFXPTC-IEBWSBKVSA-N	1	0	265.400	4.133	1	0		CIAFRO
Fc1ccc([C@H]2SC3(CC[NH2+]CC3)c3ccccc32)cc1	ZINC000027870741	171535493	/nfs/dbraw/zinc/53/54/93/171535493.db2.gz	MEYLFCVUZSVZRW-QGZVFWFLSA-N	1	0	299.414	4.241	1	0		CIAFRO
C[NH+](C)C[C@@H]1Cc2cccc3c4c(n(c32)C1)CCCCCC4	ZINC000028096152	171547696	/nfs/dbraw/zinc/54/76/96/171547696.db2.gz	AFNOIIFNSZDTJD-HNNXBMFYSA-N	1	0	296.458	4.034	1	0		CIAFRO
c1ccc(-c2cnc3cc4c(cc3c2)[C@H]2C[C@@H]4C[NH2+]C2)cc1	ZINC000028527969	171562555	/nfs/dbraw/zinc/56/25/55/171562555.db2.gz	XHYZRGYNDDTAST-DLBZAZTESA-N	1	0	286.378	4.076	1	0		CIAFRO
Cc1ccccc1[C@@H]1C[N@@H+]2CCC[C@@H]2c2ccccc21	ZINC000029229441	171590657	/nfs/dbraw/zinc/59/06/57/171590657.db2.gz	GWRZRVKIDUENPU-RBUKOAKNSA-N	1	0	263.384	4.277	1	0		CIAFRO
C[n+]1oc(/C=C\c2ccccc2)cc1/C=C\c1ccccc1	ZINC000033388845	171788806	/nfs/dbraw/zinc/78/88/06/171788806.db2.gz	YHCUQECOTTUTIV-DZDAAMPGSA-N	1	0	288.370	4.445	1	0		CIAFRO
C[C@H](NC1=[NH+]CCCCC1)c1cccc2ccccc21	ZINC000038438339	174141521	/nfs/dbraw/zinc/14/15/21/174141521.db2.gz	HXYINLUGRSVUCZ-AWEZNQCLSA-N	1	0	266.388	4.463	1	0		CIAFRO
C[NH+](C)[C@H]1CC[C@@H](c2c[nH]c3cc(Cl)ccc32)C1	ZINC000038920565	174159401	/nfs/dbraw/zinc/15/94/01/174159401.db2.gz	ZCNBAFGOHQGOOL-PWSUYJOCSA-N	1	0	262.784	4.019	1	0		CIAFRO
C[NH2+]CCC[C@H](c1cccs1)c1cccc2[nH]ccc21	ZINC000040402918	174253791	/nfs/dbraw/zinc/25/37/91/174253791.db2.gz	TYMPWFMJMZBIIE-HNNXBMFYSA-N	1	0	284.428	4.361	1	0	in-vitro	CIAFRO
C[NH2+][C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc21	ZINC000040422347	174257668	/nfs/dbraw/zinc/25/76/68/174257668.db2.gz	UPUKKBZBVUXCSQ-CVEARBPZSA-N	1	0	273.763	4.124	1	0		CIAFRO
CCCCCCOc1cc(C)ccc1C(=O)CC[NH+](C)C	ZINC000043068640	174962011	/nfs/dbraw/zinc/96/20/11/174962011.db2.gz	LLHYRCMSGOIBAU-UHFFFAOYSA-N	1	0	291.435	4.089	1	0		CIAFRO
Cc1ccc(C2CC[NH2+]CC2)c(Oc2ccc(F)cc2)c1	ZINC000045283555	175353651	/nfs/dbraw/zinc/35/36/51/175353651.db2.gz	MUPPOMFFBLBAKT-UHFFFAOYSA-N	1	0	285.362	4.393	1	0	in-vivo	CIAFRO
CCCC[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000045355940	175362047	/nfs/dbraw/zinc/36/20/47/175362047.db2.gz	MFEJIZLAZCONMF-UHFFFAOYSA-O	1	0	259.760	4.062	1	0		CIAFRO
[NH3+]CC[C@@H](Oc1cccc2ccccc21)c1cccs1	ZINC000045353593	175362048	/nfs/dbraw/zinc/36/20/48/175362048.db2.gz	ZMXLKLOJDLMZFC-MRXNPFEDSA-N	1	0	283.396	4.370	1	0	in-vivo	CIAFRO
CCCCC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)n(C)n1	ZINC000072141318	176323494	/nfs/dbraw/zinc/32/34/94/176323494.db2.gz	NRIWAEHQDWYGDI-HNNXBMFYSA-N	1	0	285.435	4.146	1	0		CIAFRO
c1coc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c1	ZINC000072179332	176334725	/nfs/dbraw/zinc/33/47/25/176334725.db2.gz	WZSXQZNHMKLIIQ-UHFFFAOYSA-N	1	0	285.387	4.201	1	0		CIAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1	ZINC000072183614	176335205	/nfs/dbraw/zinc/33/52/05/176335205.db2.gz	VQQHBGXUYKOMPU-AWEZNQCLSA-N	1	0	272.392	4.400	1	0		CIAFRO
CCCC[C@H]1Cc2ccccc2[C@@H](c2ccccc2)[NH2+]1	ZINC000072183365	176335427	/nfs/dbraw/zinc/33/54/27/176335427.db2.gz	GRRZRNSJTPYGRC-PKOBYXMFSA-N	1	0	265.400	4.481	1	0		CIAFRO
c1oc(-c2cccc3ccccc32)nc1C[NH+]1CCCC1	ZINC000072185423	176335629	/nfs/dbraw/zinc/33/56/29/176335629.db2.gz	IKIVCCVKQPACTI-UHFFFAOYSA-N	1	0	278.355	4.091	1	0		CIAFRO
C[NH+](C)CC1(c2cccc(C(F)(F)F)c2)CCCCC1	ZINC000066098304	524047580	/nfs/dbraw/zinc/04/75/80/524047580.db2.gz	SYDXJSKTVHXBGQ-UHFFFAOYSA-N	1	0	285.353	4.469	1	0		CIAFRO
C#[N+]c1ccc(C(=O)CSC(=S)SCC)cc1	ZINC000055662687	526390785	/nfs/dbraw/zinc/39/07/85/526390785.db2.gz	QPIANPHZKJPHQY-UHFFFAOYSA-N	1	0	281.427	4.191	1	0		CIAFRO
CCC[NH+](CCC)[C@H]1C=Cc2c(OC)cccc2[C@@H]1C	ZINC000014953298	560227839	/nfs/dbraw/zinc/22/78/39/560227839.db2.gz	YNNTVNSZMGTKJL-YOEHRIQHSA-N	1	0	273.420	4.316	1	0	in-vitro	CIAFRO
Nc1cc(CCc2c[nH]c3ccccc23)[nH+]c2ccccc12	ZINC000096910887	185129224	/nfs/dbraw/zinc/12/92/24/185129224.db2.gz	ZUPFTTVAAVIDSL-UHFFFAOYSA-N	1	0	287.366	4.084	1	0		CIAFRO
Clc1ccc2c(c1)[C@H]1[C@@H](CC2)[NH2+]C[C@@H]1c1ccccc1	ZINC000096929836	185132032	/nfs/dbraw/zinc/13/20/32/185132032.db2.gz	YGVBSRWLELWASD-KZNAEPCWSA-N	1	0	283.802	4.125	1	0		CIAFRO
CCO[C@@H](c1ccc(Cl)cc1)[C@@H](C)C1CC[NH2+]CC1	ZINC000169329752	188658947	/nfs/dbraw/zinc/65/89/47/188658947.db2.gz	KPBIBLBDUBEQTM-BLLLJJGKSA-N	1	0	281.827	4.053	1	0		CIAFRO
Clc1ccc(-c2cn3c([n+]2-c2ccccc2)CCC3)cc1	ZINC000000245823	169585821	/nfs/dbraw/zinc/58/58/21/169585821.db2.gz	SFJAYJVWSKQRHK-UHFFFAOYSA-N	1	0	295.793	4.031	1	0		CIAFRO
Cc1ccc([C@@H](OCCC[NH2+]C(C)C)c2ccccc2)cc1	ZINC000007078317	170266916	/nfs/dbraw/zinc/26/69/16/170266916.db2.gz	WUZKFKKSMIPTFK-FQEVSTJZSA-N	1	0	297.442	4.489	3	0		CIAFRO
C[NH+](C)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccc2cc(O)ccc2c1	ZINC000013553227	170561210	/nfs/dbraw/zinc/56/12/10/170561210.db2.gz	TXMJJPVQXBIOQV-LQJIQPLVSA-N	1	0	295.426	4.237	1	0		CIAFRO
Cc1ccc([C@H]2C[C@H]([NH+](C)C)Cc3ccccc32)cc1	ZINC000013557322	170562096	/nfs/dbraw/zinc/56/20/96/170562096.db2.gz	GACSVYXAPZCTJB-IEBWSBKVSA-N	1	0	265.400	4.003	1	0		CIAFRO
CCC1=[NH+][C@@](C)(c2ccccc2)c2ccccc2CN1C	ZINC000013600303	170567895	/nfs/dbraw/zinc/56/78/95/170567895.db2.gz	BUVXSHBSUWPFRI-IBGZPJMESA-N	1	0	278.399	4.204	1	0		CIAFRO
CC(=[NH2+])C1c2ccc(Cl)cc2N(c2ccccc2)C1=O	ZINC000027518084	171518469	/nfs/dbraw/zinc/51/84/69/171518469.db2.gz	LZIHOSBKVPHWCM-UHFFFAOYSA-N	1	0	284.746	4.377	1	0		CIAFRO
Cc1ccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3[NH2+]4)cnc2Cl)cc1	ZINC000028528448	171563076	/nfs/dbraw/zinc/56/30/76/171563076.db2.gz	GEQUKLIRKGTQOY-INMHGKMJSA-N	1	0	298.817	4.318	1	0		CIAFRO
C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc21	ZINC000029316027	171593251	/nfs/dbraw/zinc/59/32/51/171593251.db2.gz	CTLHYRNHUKYGCI-WMLDXEAASA-N	1	0	255.336	4.012	1	0		CIAFRO
Cc1ccc([C@@H]2C[N@@H+](C)Cc3sc(Cl)cc32)cc1	ZINC000038157550	174134183	/nfs/dbraw/zinc/13/41/83/174134183.db2.gz	AGFULRKIIVJPFC-ZDUSSCGKSA-N	1	0	277.820	4.287	1	0		CIAFRO
CCCc1cc2c(s1)C[N@H+](C)C[C@@H]2c1ccc(F)cc1	ZINC000038157562	174135381	/nfs/dbraw/zinc/13/53/81/174135381.db2.gz	SIKYUYQNMZUMHE-MRXNPFEDSA-N	1	0	289.419	4.417	1	0		CIAFRO
Fc1ccc2[nH]cc([C@H]3CC[C@H]([NH+]4CCCC4)C3)c2c1	ZINC000038778625	174155153	/nfs/dbraw/zinc/15/51/53/174155153.db2.gz	XUQVICPWJMOKDT-JSGCOSHPSA-N	1	0	272.367	4.039	1	0		CIAFRO
c1cc2cc([C@@]3(CCc4ccccc4)CC[NH2+]C3)ccc2[nH]1	ZINC000040379992	174250064	/nfs/dbraw/zinc/25/00/64/174250064.db2.gz	IYTYICIRVUHWDC-FQEVSTJZSA-N	1	0	290.410	4.032	1	0		CIAFRO
C[N@H+]([C@@H]1CC(=O)c2ccccc21)[C@@H]1CCCc2ccccc21	ZINC000045245082	175336294	/nfs/dbraw/zinc/33/62/94/175336294.db2.gz	HPQRVPSYMLEDSN-RTBURBONSA-N	1	0	291.394	4.324	1	0		CIAFRO
Fc1cccc(Oc2cccc(F)c2C2CC[NH2+]CC2)c1	ZINC000045287074	175354137	/nfs/dbraw/zinc/35/41/37/175354137.db2.gz	IMXJQWVQVSZOKO-UHFFFAOYSA-N	1	0	289.325	4.224	1	0	in-vivo	CIAFRO
C[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCC(=O)c2ccccc21	ZINC000045316128	175357936	/nfs/dbraw/zinc/35/79/36/175357936.db2.gz	REOZAYVAGVYMBV-RTBURBONSA-N	1	0	291.394	4.324	1	0		CIAFRO
CCCCC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)n(C)n1	ZINC000072141317	176323548	/nfs/dbraw/zinc/32/35/48/176323548.db2.gz	NRIWAEHQDWYGDI-OAHLLOKOSA-N	1	0	285.435	4.146	1	0		CIAFRO
CC(C)(C)c1ccc(-c2nc(C[NH+]3CCCC3)co2)cc1	ZINC000072183563	176335158	/nfs/dbraw/zinc/33/51/58/176335158.db2.gz	VZSHRNHWGZNCHL-UHFFFAOYSA-N	1	0	284.403	4.235	1	0		CIAFRO
Cc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2C)co1	ZINC000072181902	176335387	/nfs/dbraw/zinc/33/53/87/176335387.db2.gz	MXLOLKRFYASXKK-CQSZACIVSA-N	1	0	270.376	4.024	1	0		CIAFRO
C[NH+](C)CC1(c2cccc(Cl)c2)CCCCC1	ZINC000066098316	524048051	/nfs/dbraw/zinc/04/80/51/524048051.db2.gz	WWUXHADAODEZLF-UHFFFAOYSA-N	1	0	251.801	4.104	1	0		CIAFRO
CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)[NH3+]	ZINC000013356004	560214833	/nfs/dbraw/zinc/21/48/33/560214833.db2.gz	YNNQTVPKSXTDCK-SABUVIKOSA-N	1	0	277.452	4.280	1	0	in-vitro	CIAFRO