smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C(=O)c1ccccc1OCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000096286321	205555782	/nfs/dbraw/zinc/55/57/82/205555782.db2.gz	QZUCDGIXGCXVDA-WOJBJXKFSA-N	1	0	377.488	3.869	1	30		GHEFRO
CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1ccc(F)cc1C#N	ZINC000028131511	204868248	/nfs/dbraw/zinc/86/82/48/204868248.db2.gz	HFZBDIJYVLVBMR-SFHVURJKSA-N	1	0	381.451	3.529	1	30		GHEFRO
NC(=[NH2+])NN=C1c2ccc(Cl)cc2C[C@H]1Sc1nc2ccccc2s1	ZINC000043078970	205081529	/nfs/dbraw/zinc/08/15/29/205081529.db2.gz	XFXVEYMMUKMXJN-CVZTXRPJSA-N	1	0	387.921	3.644	1	30		GHEFRO
[NH2+]=C(NCCCc1c[nH]cn1)NCC[C@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816102	560220542	/nfs/dbraw/zinc/22/05/42/560220542.db2.gz	ZOROCGHIPADEFK-LJQANCHMSA-N	1	0	396.926	3.517	1	30	in-vitro	GHEFRO
CC1(C)C(=NN2C(=O)CNC2=S)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000045339687	205095723	/nfs/dbraw/zinc/09/57/23/205095723.db2.gz	VTJOCFGOABKEDA-KFKOUXENSA-N	1	0	392.528	3.561	1	30		GHEFRO
CCO[C@H]1CC[C@](C)([NH+]2CCC(n3c4cc(C#N)ccc4oc3=O)CC2)CC1	ZINC000101638133	205624594	/nfs/dbraw/zinc/62/45/94/205624594.db2.gz	APAQNVIEKCXJMH-CXGRPWHSSA-N	1	0	383.492	3.841	1	30		GHEFRO
N#Cc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1	ZINC000072184627	205317267	/nfs/dbraw/zinc/31/72/67/205317267.db2.gz	OGNJIBCQHDUCGH-XMMPIXPASA-N	1	0	396.494	3.937	1	30		GHEFRO
CCN(C(=O)c1ccccc1OCc1ccccc1C#N)[C@H]1CCC[C@@H]([NH3+])C1	ZINC000096286330	205556301	/nfs/dbraw/zinc/55/63/01/205556301.db2.gz	OLIMDZCNNKRFFE-UXHICEINSA-N	1	0	377.488	3.869	1	30		GHEFRO
Cc1cc(O[C@H](CCCC[NH2+]Cc2ccc(F)cc2)C(=O)NO)cc(C)c1F	ZINC000071296384	222180095	/nfs/dbraw/zinc/18/00/95/222180095.db2.gz	DUBRLRRJAJGWMU-LJQANCHMSA-N	1	0	392.446	3.795	1	30		GHEFRO
CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)NC1=[NH+]CC1CC1	ZINC000015937394	204585349	/nfs/dbraw/zinc/58/53/49/204585349.db2.gz	DLILDKGBKMMSST-KRWDZBQOSA-N	1	0	395.425	3.885	3	30		GHEFRO
CC(C)(C[NH3+])O/N=C1/CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12	ZINC000040395430	205063813	/nfs/dbraw/zinc/06/38/13/205063813.db2.gz	XULAZACITAUPHR-RBCZFRTESA-N	1	0	388.552	3.887	1	30		GHEFRO
C[C@@H]1CCC[N@@H+]1CCN1CCc2cc(Oc3ccc(C#N)cc3)ccc2C1=O	ZINC000059114040	205178945	/nfs/dbraw/zinc/17/89/45/205178945.db2.gz	JFKJRURGYVFQQJ-QGZVFWFLSA-N	1	0	375.472	3.833	1	30		GHEFRO
Cc1cccc(NC(=O)c2ccc[n+](CC(=O)Nc3ccc(Cl)cc3)c2)c1	ZINC000103175522	205641598	/nfs/dbraw/zinc/64/15/98/205641598.db2.gz	PJJOGSRWAQCJLG-UHFFFAOYSA-O	1	0	380.855	3.827	1	30		GHEFRO
NC(=[NH2+])NN=C1c2cc(Cl)ccc2C[C@@H]1Sc1nc2ccccc2s1	ZINC000043076215	205081080	/nfs/dbraw/zinc/08/10/80/205081080.db2.gz	MFVWETVYCQYWBB-UGHXVNEISA-N	1	0	387.921	3.644	1	30		GHEFRO
Cc1ccc([C@H]2CC(=NN3C(=O)CNC3=S)C[C@H](c3ccc(C)cc3)[NH2+]2)cc1	ZINC000045347572	205095583	/nfs/dbraw/zinc/09/55/83/205095583.db2.gz	WSTIDDCSHZCWDJ-WOJBJXKFSA-N	1	0	392.528	3.542	1	30		GHEFRO
CC(C)N1CC(=O)N=C1NC(Nc1ccc(Cl)c(Cl)c1)=[NH+]C(C)(C)C	ZINC000072118474	205304718	/nfs/dbraw/zinc/30/47/18/205304718.db2.gz	MCXNUIIEAYDURL-UHFFFAOYSA-N	1	0	384.311	3.565	1	30		GHEFRO
N#Cc1cncc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)c1	ZINC000073295758	222269686	/nfs/dbraw/zinc/26/96/86/222269686.db2.gz	VRXIDMZVQRZXIS-UHFFFAOYSA-N	1	0	388.475	3.611	1	30		GHEFRO
CCN(C(=O)c1ccccc1OCc1cccc(C#N)c1)[C@H]1CCC[C@@H]([NH3+])C1	ZINC000096286326	205556640	/nfs/dbraw/zinc/55/66/40/205556640.db2.gz	UNOZLBRAPWGPEZ-UXHICEINSA-N	1	0	377.488	3.869	1	30		GHEFRO
O=C(/C=C/c1ccc(C[NH2+]CCc2cn(CC3CC3)c3ccccc23)cc1)NO	ZINC000013528130	581101776	/nfs/dbraw/zinc/10/17/76/581101776.db2.gz	FAGBOEVMPXWLID-VAWYXSNFSA-N	1	0	389.499	3.902	1	30		GHEFRO
Cc1cc(C[NH2+]CCCC[C@@H](Nc2ccc(F)c(C)c2)C(=O)NO)ccc1F	ZINC000043199527	205081128	/nfs/dbraw/zinc/08/11/28/205081128.db2.gz	ZWTZPMCZDWOSRT-HXUWFJFHSA-N	1	0	391.462	3.828	1	30		GHEFRO
CCOc1ccc(Nc2c(C)c(NC[C@@H]3CC[NH2+]C3)c(C#N)c3ccnn32)cc1	ZINC000045244981	205093967	/nfs/dbraw/zinc/09/39/67/205093967.db2.gz	QYALDGAIWALYFY-MRXNPFEDSA-N	1	0	390.491	3.678	1	30		GHEFRO
C#CC1=CC[C@@H]([N@H+](CCC)CCCCNC(=O)c2cnn3ccccc23)CC1	ZINC000096272456	206223339	/nfs/dbraw/zinc/22/33/39/206223339.db2.gz	IDKIRFAIRCIGSS-HXUWFJFHSA-N	1	0	378.520	3.668	1	30		GHEFRO
CC[NH+](CC)CCn1c2ccccc2nc1-c1cccc(/C=C/C(=O)NO)c1	ZINC000049089495	205125230	/nfs/dbraw/zinc/12/52/30/205125230.db2.gz	LXWYRQJNEXQFOY-OUKQBFOZSA-N	1	0	378.476	3.564	1	30		GHEFRO
C#CCOc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	ZINC000045187519	206195133	/nfs/dbraw/zinc/19/51/33/206195133.db2.gz	RSJNRRGDEKZWSS-MGPUTAFESA-N	1	0	377.406	3.972	1	30		GHEFRO
CCCCCCCCCCC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+]	ZINC000085510363	291131566	/nfs/dbraw/zinc/13/15/66/291131566.db2.gz	KDOQFUDLUOOMEC-WBWKYDSYSA-N	1	0	390.552	3.786	1	30	biogenic,in-vitro	GHEFRO
C[C@@H]1O[C@@H](OCC#Cc2c3ccccc3sc2-c2ccccc2)C[C@H]([NH3+])[C@@H]1O	ZINC000066259199	203753071	/nfs/dbraw/zinc/75/30/71/203753071.db2.gz	BDQYDUFNODRGHJ-RGGPELTISA-N	1	0	393.508	3.760	1	30		GHEFRO
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH2+]CCc3cccs3)[C@@H]2CC1	ZINC000040936320	205075502	/nfs/dbraw/zinc/07/55/02/205075502.db2.gz	JPTRUWDZRVVDFB-BTVVOGIWSA-N	1	0	375.534	3.716	1	30		GHEFRO
C[NH2+]CCCO/N=C1/CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](O)[C@H]2C1	ZINC000040933910	205075576	/nfs/dbraw/zinc/07/55/76/205075576.db2.gz	JTMMXMGAYYYYFN-NRTJVELWSA-N	1	0	390.568	3.551	1	30		GHEFRO
COC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\OCC[NH3+])C[C@H]12	ZINC000049863709	205130129	/nfs/dbraw/zinc/13/01/29/205130129.db2.gz	ACYGEUGDVWHAAR-RPDHGYLVSA-N	1	0	390.568	3.802	1	30		GHEFRO
C=C(CCC)C(=O)c1ccc(OCC(=O)NCCCC[NH3+])c(Cl)c1Cl	ZINC000066076120	205238881	/nfs/dbraw/zinc/23/88/81/205238881.db2.gz	GJGLLVMIDIMCSX-UHFFFAOYSA-N	1	0	387.307	3.766	1	30		GHEFRO
N#Cc1c(-c2ccco2)nc(=S)[nH]c1N1CC[NH+](Cc2ccccc2)CC1	ZINC000096910389	136187762	/nfs/dbraw/zinc/18/77/62/136187762.db2.gz	JJXOUIBMDVRXIV-UHFFFAOYSA-N	1	0	377.473	3.593	1	30		GHEFRO
NC(=[NH2+])NN=Cc1cc(Br)ccc1OCc1cccc2ccccc21	ZINC000028888677	204882748	/nfs/dbraw/zinc/88/27/48/204882748.db2.gz	QLKXXQDSDZPRHD-FOKLQQMPSA-N	1	0	397.276	3.998	1	30		GHEFRO
C=CC[NH+]=C1N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC	ZINC000066124073	222137991	/nfs/dbraw/zinc/13/79/91/222137991.db2.gz	MJEWWLHTFWBGHQ-MRXNPFEDSA-N	1	0	381.398	3.661	1	30		GHEFRO
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCCC2)c1)NO	ZINC000049089511	205124668	/nfs/dbraw/zinc/12/46/68/205124668.db2.gz	DWNRYQMKYULULJ-VAWYXSNFSA-N	1	0	390.487	3.708	1	30		GHEFRO
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N+]1(C)CC(=O)N1CCc2ccccc21	ZINC000013860114	717110186	/nfs/dbraw/zinc/11/01/86/717110186.db2.gz	IZWDJSXJHNPRDP-XZATXCMXSA-N	1	0	398.958	3.580	1	30		GHEFRO
O=C(c1cccc(C#CCc2ccccc2)c1)N1CCN(c2ccccn2)CC1	ZINC000066251819	206226496	/nfs/dbraw/zinc/22/64/96/206226496.db2.gz	JYRNMJXVVCDCKZ-UHFFFAOYSA-N	1	0	381.479	3.638	1	30		GHEFRO
CC[C@@H](C/C=N/OCC[NH3+])[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O	ZINC000013864726	207002310	/nfs/dbraw/zinc/00/23/10/207002310.db2.gz	LQVQTKIMPALRSS-OUFAQNRJSA-N	1	0	392.584	3.927	1	30		GHEFRO
CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C	ZINC000027876795	207331417	/nfs/dbraw/zinc/33/14/17/207331417.db2.gz	JHGZTFGLCONBSN-VZMFNRANSA-N	1	0	383.488	3.823	1	30		GHEFRO
Cc1ccc(N2CCN(C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)nc1	ZINC000066259914	206225544	/nfs/dbraw/zinc/22/55/44/206225544.db2.gz	OFKCBURILPWBLG-UHFFFAOYSA-N	1	0	381.479	3.752	1	30		GHEFRO
CC[NH+]1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)OC)cc2)CC1	ZINC000029463132	207361995	/nfs/dbraw/zinc/36/19/95/207361995.db2.gz	ABACXMSOOFDFCJ-ATJXCDBQSA-N	1	0	385.895	3.842	1	30		GHEFRO
C#CCOc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1	ZINC000045187513	209095141	/nfs/dbraw/zinc/09/51/41/209095141.db2.gz	RSJNRRGDEKZWSS-YWZLYKJASA-N	1	0	377.406	3.972	1	30		GHEFRO
Cc1c2[nH]c(=O)[nH]c2cc(C#CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1C	ZINC000028227949	206255063	/nfs/dbraw/zinc/25/50/63/206255063.db2.gz	BMQSCGQRSBYMBP-UHFFFAOYSA-N	1	0	391.490	3.918	1	30		GHEFRO
CS(=O)(=O)Nc1ccc(C#CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1	ZINC000013798560	206247794	/nfs/dbraw/zinc/24/77/94/206247794.db2.gz	RZOQAAQWMIFUOZ-UHFFFAOYSA-N	1	0	396.556	3.754	1	30		GHEFRO
C[NH2+]CCCO/N=C1/CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](O)[C@H]2C1	ZINC000040933912	207615330	/nfs/dbraw/zinc/61/53/30/207615330.db2.gz	JTMMXMGAYYYYFN-QVRSHTHMSA-N	1	0	390.568	3.551	1	30		GHEFRO
C#CC1=CC[C@H]([N@H+](CCC)CCCCNC(=O)c2cnn3ccccc23)CC1	ZINC000096272457	209133417	/nfs/dbraw/zinc/13/34/17/209133417.db2.gz	IDKIRFAIRCIGSS-FQEVSTJZSA-N	1	0	378.520	3.668	1	30		GHEFRO
CCSc1ccc2n(C)c(-c3ccc(C=NNC(=N)SC)cc3)c[n+]2c1	ZINC000026826859	207320110	/nfs/dbraw/zinc/32/01/10/207320110.db2.gz	IZTGASUCAFRCQZ-SRZZPIQSSA-N	1	0	384.554	3.764	1	30		GHEFRO
NC(=[NH2+])NN=Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1	ZINC000095556429	208232957	/nfs/dbraw/zinc/23/29/57/208232957.db2.gz	YHJDDQZWQGAPGR-CGOBSMCZSA-N	1	0	375.148	3.545	1	30		GHEFRO
C=CCC[C@@H](O)CN1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1	ZINC000019364487	206252291	/nfs/dbraw/zinc/25/22/91/206252291.db2.gz	RJVQLCZGVPIMHB-JOCHJYFZSA-N	1	0	376.544	3.819	1	30		GHEFRO
COC(=O)[C@@]12CC(c3ccoc3)(c3ccoc3)[C@@H](c3ccccc31)c1cccc[n+]12	ZINC000027107559	207322747	/nfs/dbraw/zinc/32/27/47/207322747.db2.gz	NAROEDASJVPPEA-WIOPSUGQSA-N	1	0	398.438	3.912	1	30		GHEFRO
C[C@@H]1C[C@@H](Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc2[nH]c(=O)[nH]c2c1	ZINC000028227211	206255973	/nfs/dbraw/zinc/25/59/73/206255973.db2.gz	HHYVOFVVASXMCB-APWZRJJASA-N	1	0	377.463	3.690	1	30		GHEFRO
CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1ccc(F)cc1C#N	ZINC000028131508	207334140	/nfs/dbraw/zinc/33/41/40/207334140.db2.gz	HFZBDIJYVLVBMR-GOSISDBHSA-N	1	0	381.451	3.529	1	30		GHEFRO
CC[C@@H](C/C=N/OCC[NH3+])[C@@]1(C)CC[C@@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@]23C)C1=O	ZINC000027208965	207324674	/nfs/dbraw/zinc/32/46/74/207324674.db2.gz	LQVQTKIMPALRSS-RMGMJPOESA-N	1	0	392.584	3.927	1	30		GHEFRO
C[C@@H](C/C=N/OCC[NH3+])[C@@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O	ZINC000027215713	207323885	/nfs/dbraw/zinc/32/38/85/207323885.db2.gz	DCXOCWYTNAVQBU-AHYNVGSKSA-N	1	0	378.557	3.536	1	30		GHEFRO
C[C@]12CC[C@H]3[C@@H](C[C@H](CCO)[C@H]4C/C(=N/OCC[NH3+])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000049582930	207710299	/nfs/dbraw/zinc/71/02/99/207710299.db2.gz	TWFLKNSSMFUSMH-LPHACNBESA-N	1	0	390.568	3.538	1	30		GHEFRO
C=C(C)CCN(C1=[NH+]CCN1)c1c(Br)cccc1Br	ZINC000028230716	206254642	/nfs/dbraw/zinc/25/46/42/206254642.db2.gz	GQTMXJFCVOPOAB-UHFFFAOYSA-N	1	0	387.119	3.943	1	30		GHEFRO
CC1CCN(c2cc(C#CC[NH+](C)C)ccc2NC(=O)c2ccc(C#N)o2)CC1	ZINC000029047023	206255178	/nfs/dbraw/zinc/25/51/78/206255178.db2.gz	BVKGVWBTOJLQKV-UHFFFAOYSA-N	1	0	390.487	3.553	1	30		GHEFRO
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)c1	ZINC000027199286	207324303	/nfs/dbraw/zinc/32/43/03/207324303.db2.gz	DSOZMZYFXRHZGI-DHIUTWEWSA-N	1	0	391.515	3.784	1	30		GHEFRO
N#Cc1cccc(NC(=O)NCCC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1	ZINC000029394732	207360133	/nfs/dbraw/zinc/36/01/33/207360133.db2.gz	IJNLKIBEOFRWDP-IBGZPJMESA-N	1	0	380.467	3.774	1	30		GHEFRO
CC[NH2+]CCn1c(C[C@H](C)CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21	ZINC000034987237	207482588	/nfs/dbraw/zinc/48/25/88/207482588.db2.gz	HZNDGSQQXJEQBA-DZZUKKPASA-N	1	0	386.540	3.779	1	30		GHEFRO
C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000045300135	207654139	/nfs/dbraw/zinc/65/41/39/207654139.db2.gz	XFDMKJWHJUDNNX-ZAWPXSLDSA-N	1	0	378.501	3.673	1	30		GHEFRO
Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccc1	ZINC000066252245	206225955	/nfs/dbraw/zinc/22/59/55/206225955.db2.gz	COFRHXMGMXVWDH-UHFFFAOYSA-N	1	0	381.479	3.752	1	30		GHEFRO
C[C@@H]1C[C@H](Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc2[nH]c(=O)[nH]c2c1	ZINC000028227218	206256134	/nfs/dbraw/zinc/25/61/34/206256134.db2.gz	HHYVOFVVASXMCB-VQIMIIECSA-N	1	0	377.463	3.690	1	30		GHEFRO
CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)[NH+]=C1NCc1ccc(OC)cc1	ZINC000015937435	207067544	/nfs/dbraw/zinc/06/75/44/207067544.db2.gz	MXMVPLNPTJXFNM-NRFANRHFSA-N	1	0	393.487	3.665	3	30		GHEFRO
CCCCS/C=C1\C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@@H+]3C)[C@@H](O5)C1=O	ZINC000027712530	207330682	/nfs/dbraw/zinc/33/06/82/207330682.db2.gz	GKBGJAGOZZKYGM-WSEAMUFLSA-N	1	0	399.556	3.960	1	30		GHEFRO
C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N\O[C@H]5CC[NH2+]C5)CC[C@@]43C)[C@@H]1CCC2=O	ZINC000040876013	207613584	/nfs/dbraw/zinc/61/35/84/207613584.db2.gz	QVXICRXGRCMGSF-ZDZNRFCZSA-N	1	0	386.536	3.512	1	30		GHEFRO
Cc1c(C#N)c2nc(C3CC3)nn2c(N2CC[C@H]([NH+](C)C)C2)c1-c1ccccc1	ZINC000058574723	207779549	/nfs/dbraw/zinc/77/95/49/207779549.db2.gz	OYWBHNUBGPLOSF-SFHVURJKSA-N	1	0	386.503	3.594	1	30		GHEFRO
CCCCS/C=C1\C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@@H+]3C)[C@@H](O5)C1=O	ZINC000027712532	207330148	/nfs/dbraw/zinc/33/01/48/207330148.db2.gz	GKBGJAGOZZKYGM-LESYZWQWSA-N	1	0	399.556	3.960	1	30		GHEFRO
CC[NH+]1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)[C@H]2C#N	ZINC000073197584	208034861	/nfs/dbraw/zinc/03/48/61/208034861.db2.gz	AFDBGHRXCSHKMT-GFCCVEGCSA-N	1	0	391.302	3.690	1	30		GHEFRO
CC(C)(Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1C#N	ZINC000028564466	207343679	/nfs/dbraw/zinc/34/36/79/207343679.db2.gz	XGDMNCCSVPVYKI-MRXNPFEDSA-N	1	0	376.859	3.701	1	30		GHEFRO
O=C1Cc2ccccc2N1CC#CCN1CCN(c2cccc3ccccc32)CC1	ZINC000045496554	209096219	/nfs/dbraw/zinc/09/62/19/209096219.db2.gz	XYQICMLZHAIYGB-UHFFFAOYSA-N	1	0	395.506	3.555	1	30		GHEFRO
COc1ccc(-c2cc(OC)cc([C@@H](C)C#Cc3c(C)nc(N)nc3N)c2)cc1	ZINC000045284015	209095253	/nfs/dbraw/zinc/09/52/53/209095253.db2.gz	SWYJGRLYDXSLBS-AWEZNQCLSA-N	1	0	388.471	3.789	1	30		GHEFRO
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc21	ZINC000261117750	717179285	/nfs/dbraw/zinc/17/92/85/717179285.db2.gz	IZWDJSXJHNPRDP-CLYVBNDRSA-N	1	0	398.958	3.580	1	30		GHEFRO
C[NH+](C)CCN1C(=O)c2cccc3cc(/N=C\c4ccc(C#N)cc4)cc(c32)C1=O	ZINC000028712269	207347068	/nfs/dbraw/zinc/34/70/68/207347068.db2.gz	MMVVPZCIHNTLOJ-YSMPRRRNSA-N	1	0	396.450	3.620	1	30		GHEFRO
Cc1ccc(C[NH2+]CCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1	ZINC000064528341	207800908	/nfs/dbraw/zinc/80/09/08/207800908.db2.gz	WXSSZKMYHPTKFZ-HXUWFJFHSA-N	1	0	387.499	3.997	1	30		GHEFRO
CC[C@@H](C/C=N/OCC[NH3+])[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)C1=O	ZINC000013864733	207002178	/nfs/dbraw/zinc/00/21/78/207002178.db2.gz	LQVQTKIMPALRSS-IEWUTJNLSA-N	1	0	392.584	3.927	1	30		GHEFRO
C[NH2+]Cc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)cc1	ZINC000028825126	206255989	/nfs/dbraw/zinc/25/59/89/206255989.db2.gz	AGFIIERRTNLUMS-UHFFFAOYSA-N	1	0	384.907	3.926	1	30	in-vitro	GHEFRO
CC(C)(C)c1[nH]c2ncccc2c1CC[NH2+]Cc1ccc(C=CC(=O)NO)cc1	ZINC000072114283	207971582	/nfs/dbraw/zinc/97/15/82/207971582.db2.gz	YUEDCGMTPKBKTP-ZHACJKMWSA-N	1	0	392.503	3.711	1	30		GHEFRO
CNC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@H]12	ZINC000027437756	207325644	/nfs/dbraw/zinc/32/56/44/207325644.db2.gz	ZSPJHSQOZNBJDC-CBQOVEMMSA-N	1	0	378.472	3.788	1	30		GHEFRO
CC[NH2+]CCn1c(C[C@@H](C)CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21	ZINC000034987236	207482565	/nfs/dbraw/zinc/48/25/65/207482565.db2.gz	HZNDGSQQXJEQBA-XAVKZTDYSA-N	1	0	386.540	3.779	1	30		GHEFRO
CC(C)C[C@H](C(=O)NCC#N)c1cccc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)c1	ZINC000027199282	207323578	/nfs/dbraw/zinc/32/35/78/207323578.db2.gz	DSOZMZYFXRHZGI-GOTSBHOMSA-N	1	0	391.515	3.784	1	30		GHEFRO
COc1ccc(C(=O)/C=C/c2cccc(OCC[NH+](C)C)c2)c(OC)c1OC	ZINC000095577392	208234191	/nfs/dbraw/zinc/23/41/91/208234191.db2.gz	KFPOQSOYYWBGKX-PKNBQFBNSA-N	1	0	385.460	3.549	1	30		GHEFRO
C=C(C1CCCCC1)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=[NH2+])NC)[C@H]2C1	ZINC000085549784	291129783	/nfs/dbraw/zinc/12/97/83/291129783.db2.gz	LELWYMXAPCRURU-GHIJRLNRSA-N	1	0	391.600	3.565	1	30	biogenic,in-vitro	GHEFRO
C[NH+](C)[C@@H]1CCN(CCCOc2c(F)cc(-c3ccc(C#N)cc3)cc2F)C1	ZINC000022451543	209238019	/nfs/dbraw/zinc/23/80/19/209238019.db2.gz	DJXFZKXYKKBTDR-LJQANCHMSA-N	1	0	385.458	3.908	1	30		GHEFRO
C=CCc1c2cc(Cl)ccc2n(C2N=NC(=S)N[C@@H]2N)c1-c1ccccc1	ZINC000169346620	209185090	/nfs/dbraw/zinc/18/50/90/209185090.db2.gz	IWGOAZKMYHZKFK-SFHVURJKSA-N	1	0	395.919	3.614	1	30		GHEFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1	ZINC000072101564	222206196	/nfs/dbraw/zinc/20/61/96/222206196.db2.gz	LKBALULURDSHPI-NRFANRHFSA-N	1	0	391.519	3.605	1	30		GHEFRO
Cc1c(N[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c2ccnn2c1NOc1ccccc1	ZINC000100095303	211382503	/nfs/dbraw/zinc/38/25/03/211382503.db2.gz	ZJXZOCCIXVRFIC-IYBDPMFKSA-N	1	0	376.464	3.602	1	30		GHEFRO
C[C@H]1C[C@H](Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc2[nH]c(=O)[nH]c2c1	ZINC000028227222	209180973	/nfs/dbraw/zinc/18/09/73/209180973.db2.gz	HHYVOFVVASXMCB-QFBILLFUSA-N	1	0	377.463	3.690	1	30		GHEFRO
C#CCOc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1	ZINC000045187516	212042428	/nfs/dbraw/zinc/04/24/28/212042428.db2.gz	RSJNRRGDEKZWSS-QRWLVFNGSA-N	1	0	377.406	3.972	1	30		GHEFRO
O/N=C1/CCc2cc(-c3cn(C[C@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21	ZINC000100411268	581096374	/nfs/dbraw/zinc/09/63/74/581096374.db2.gz	UYOJMJVLQBMLJD-XLVJDEHFSA-N	1	0	387.487	3.736	1	30		GHEFRO
C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	ZINC000103234045	209143426	/nfs/dbraw/zinc/14/34/26/209143426.db2.gz	OJJKCSATOQKRAZ-ZBYYUNFXSA-N	1	0	377.484	3.647	1	30		GHEFRO
CCN(C(=O)c1ccccc1OCc1ccccc1C#N)[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000096286329	211331227	/nfs/dbraw/zinc/33/12/27/211331227.db2.gz	OLIMDZCNNKRFFE-WOJBJXKFSA-N	1	0	377.488	3.869	1	30		GHEFRO
O/N=C1\CCc2cc(-c3cn(CC4CC[NH2+]CC4)nc3-c3ccncc3)ccc21	ZINC000035931977	581096369	/nfs/dbraw/zinc/09/63/69/581096369.db2.gz	CKRMDSYNVASFQQ-HPNDGRJYSA-N	1	0	387.487	3.736	1	30		GHEFRO
C[NH+](C)CCC/N=C/c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000013584028	210071166	/nfs/dbraw/zinc/07/11/66/210071166.db2.gz	BMXPYQLSDFVEMO-BPQJVUFISA-N	1	0	384.564	3.980	1	30		GHEFRO
C[C@@H]1O[C@@H](OCC#Cc2c3ccccc3sc2-c2ccccc2)C[C@H]([NH3+])[C@H]1O	ZINC000066156311	209135561	/nfs/dbraw/zinc/13/55/61/209135561.db2.gz	BDQYDUFNODRGHJ-SZLKJRAXSA-N	1	0	393.508	3.760	1	30		GHEFRO
Cc1ccc(OCC#Cc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1	ZINC000095584531	212068111	/nfs/dbraw/zinc/06/81/11/212068111.db2.gz	NZXMAAMICMQPLK-UHFFFAOYSA-N	1	0	382.483	3.989	1	30		GHEFRO
C[C@H]1C[C@@H](Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc2[nH]c(=O)[nH]c2c1	ZINC000028227215	209179649	/nfs/dbraw/zinc/17/96/49/209179649.db2.gz	HHYVOFVVASXMCB-LPHOPBHVSA-N	1	0	377.463	3.690	1	30		GHEFRO
CCCCCCCCCCCCOc1ccc(C[NH2+]C(CO)(CO)CO)cc1	ZINC000096906595	211350985	/nfs/dbraw/zinc/35/09/85/211350985.db2.gz	BRUUAUSOMCWXCX-UHFFFAOYSA-N	1	0	395.584	3.792	1	30		GHEFRO
CC[NH+]1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)[C@@H]2C#N	ZINC000073197585	211125910	/nfs/dbraw/zinc/12/59/10/211125910.db2.gz	AFDBGHRXCSHKMT-LBPRGKRZSA-N	1	0	391.302	3.690	1	30		GHEFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@H](c2ccc(C#N)cc2)c2cccnc2)CC1	ZINC000072101565	222205615	/nfs/dbraw/zinc/20/56/15/222205615.db2.gz	LKBALULURDSHPI-OAQYLSRUSA-N	1	0	391.519	3.605	1	30		GHEFRO
CC(C)C[C@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1	ZINC000013525675	210065844	/nfs/dbraw/zinc/06/58/44/210065844.db2.gz	AQPCFTUFFUSBNZ-QHCPKHFHSA-N	1	0	390.531	3.533	1	30		GHEFRO
COc1cc(C#N)cc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1	ZINC000066251250	211001353	/nfs/dbraw/zinc/00/13/53/211001353.db2.gz	UXPFKVWGFWHHFQ-UHFFFAOYSA-N	1	0	383.521	3.540	1	30		GHEFRO
C#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c2ccccc12	ZINC000013553244	209162890	/nfs/dbraw/zinc/16/28/90/209162890.db2.gz	GLJZGPDTNBDSGN-HXUWFJFHSA-N	1	0	384.479	3.834	1	30		GHEFRO
CCN(CC)C(=O)NC1CC[NH+]([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1	ZINC000072142364	211073477	/nfs/dbraw/zinc/07/34/77/211073477.db2.gz	XJWCXJGANJAQFX-JOCHJYFZSA-N	1	0	391.519	3.558	1	30		GHEFRO
O=c1n(CC#CC[NH+]2CCCCCC2)nc(-c2ccccc2)n1-c1ccccc1	ZINC000103169309	209142593	/nfs/dbraw/zinc/14/25/93/209142593.db2.gz	SLFPNJKCCHNBKR-UHFFFAOYSA-N	1	0	386.499	3.580	1	30		GHEFRO
COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CNC(N)=[NH2+])c2cc1OC	ZINC000095559924	211277089	/nfs/dbraw/zinc/27/70/89/211277089.db2.gz	DQFOZCXHTBMFMR-UHFFFAOYSA-N	1	0	392.503	3.990	1	30		GHEFRO
C[NH2+]CCCO/N=C1\CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12	ZINC000049823373	210865253	/nfs/dbraw/zinc/86/52/53/210865253.db2.gz	PDEOIGFPWIUCTA-REIXNURISA-N	1	0	388.552	3.759	1	30		GHEFRO
C[NH2+]Cc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(Cl)c1	ZINC000028825134	209179352	/nfs/dbraw/zinc/17/93/52/209179352.db2.gz	VAICHSCZMSGKPN-UHFFFAOYSA-N	1	0	384.907	3.926	1	30	in-vitro	GHEFRO
O/N=C1\CCc2cc(-c3cn(C[C@@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21	ZINC000040425226	581096421	/nfs/dbraw/zinc/09/64/21/581096421.db2.gz	UYOJMJVLQBMLJD-VJIXSGFZSA-N	1	0	387.487	3.736	1	30		GHEFRO
C#CCOc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	ZINC000045187521	212042527	/nfs/dbraw/zinc/04/25/27/212042527.db2.gz	RSJNRRGDEKZWSS-FOIQADDNSA-N	1	0	377.406	3.972	1	30		GHEFRO
Cc1ccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1	ZINC000066251818	209135794	/nfs/dbraw/zinc/13/57/94/209135794.db2.gz	QYACSSZGOLMJTL-UHFFFAOYSA-N	1	0	381.479	3.752	1	30		GHEFRO
[NH3+]Cc1cccc(C2CCN(C(=O)c3ccc(C#Cc4cccnc4)o3)CC2)c1	ZINC000073280715	212059601	/nfs/dbraw/zinc/05/96/01/212059601.db2.gz	XJKANKVJNDPVJS-UHFFFAOYSA-N	1	0	385.467	3.553	1	30		GHEFRO
C=CC[NH+]=C1N[C@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1	ZINC000066157636	222138977	/nfs/dbraw/zinc/13/89/77/222138977.db2.gz	IAKXTPFVLJGTMT-OAQYLSRUSA-N	1	0	393.462	3.961	1	30		GHEFRO
CO[C@]1(C#CC(O)(c2ccc(C)cc2)c2ccc(C)cc2)C[NH+]2CCC1CC2	ZINC000028563485	212108959	/nfs/dbraw/zinc/10/89/59/212108959.db2.gz	MMMQUSWLVGQDBX-XMMPIXPASA-N	1	0	375.512	3.654	1	30		GHEFRO
Cn1c2ccccc2n2c1c(C#N)c(=[NH+]CCCn1ccnc1)c1ccccc12	ZINC000013219100	221264176	/nfs/dbraw/zinc/26/41/76/221264176.db2.gz	YMIJYKRRKAVEFG-UHFFFAOYSA-O	1	0	381.463	3.641	1	30		GHEFRO
C[C@@H](C#Cc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(Cc2ccc(F)cc2)CC1	ZINC000028224004	212109108	/nfs/dbraw/zinc/10/91/08/212109108.db2.gz	KWTLEMLIWNMMDH-INIZCTEOSA-N	1	0	377.463	3.690	1	30		GHEFRO
CCN(CCCC#N)c1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(OC)cc1C	ZINC000013584802	221275652	/nfs/dbraw/zinc/27/56/52/221275652.db2.gz	URZADVOXNOVKLK-UHFFFAOYSA-N	1	0	393.491	3.927	1	30		GHEFRO
[NH2+]=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816106	560220574	/nfs/dbraw/zinc/22/05/74/560220574.db2.gz	ZOROCGHIPADEFK-IBGZPJMESA-N	1	0	396.926	3.517	1	30	in-vitro	GHEFRO
C[C@H](C#Cc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(Cc2ccc(F)cc2)CC1	ZINC000028224007	212109571	/nfs/dbraw/zinc/10/95/71/212109571.db2.gz	KWTLEMLIWNMMDH-MRXNPFEDSA-N	1	0	377.463	3.690	1	30		GHEFRO
C[C@@H](C/C=N/OCC[NH3+])[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O	ZINC000013864730	221293254	/nfs/dbraw/zinc/29/32/54/221293254.db2.gz	DCXOCWYTNAVQBU-LRORJHMASA-N	1	0	378.557	3.536	1	30		GHEFRO
Cc1noc(-c2ccccc2)c1CC[N@@H+]1Cc2ccc(/C=C/C(=O)NO)cc2C1	ZINC000072176977	222216703	/nfs/dbraw/zinc/21/67/03/222216703.db2.gz	HWQAGUZDIUBZJD-CSKARUKUSA-N	1	0	389.455	3.727	1	30		GHEFRO
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)c1	ZINC000027207655	221651397	/nfs/dbraw/zinc/65/13/97/221651397.db2.gz	VGMIZPWPIODKIA-PKTZIBPZSA-N	1	0	391.515	3.784	1	30		GHEFRO
C=C(C)n1c2ccccc2n(Cc2nc3ccccc3n2CCC[NH+](C)C)c1=O	ZINC000028569967	212109366	/nfs/dbraw/zinc/10/93/66/212109366.db2.gz	BNCTUYYBHSDAGH-UHFFFAOYSA-N	1	0	389.503	3.643	1	30		GHEFRO
CCOc1ccc2c(NN=Cc3cc(OC)c(OC)cc3OC)cc(C)[nH+]c2c1	ZINC000064245771	222071489	/nfs/dbraw/zinc/07/14/89/222071489.db2.gz	SMJAMHZOFUQKGF-QRVIBDJDSA-N	1	0	395.459	3.836	1	30		GHEFRO
CC(C)N1CC(=O)N=C1[NH+]=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1	ZINC000072118159	222206716	/nfs/dbraw/zinc/20/67/16/222206716.db2.gz	JTYJRYXVEUOVGG-UHFFFAOYSA-N	1	0	396.322	3.663	1	30		GHEFRO
O=C(/C=C/c1ccc2c(c1)CCC1(CC[NH+](Cc3ccccc3)CC1)O2)NO	ZINC000073224752	222269319	/nfs/dbraw/zinc/26/93/19/222269319.db2.gz	IKINAHLMBOAPTB-VQHVLOKHSA-N	1	0	378.472	3.565	1	30		GHEFRO
C=CC[NH+]=C1N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC	ZINC000015935430	221352310	/nfs/dbraw/zinc/35/23/10/221352310.db2.gz	MJEWWLHTFWBGHQ-INIZCTEOSA-N	1	0	381.398	3.661	3	30		GHEFRO
CCN(CC)C(=O)NC1CC[NH+]([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1	ZINC000072142363	222210903	/nfs/dbraw/zinc/21/09/03/222210903.db2.gz	XJWCXJGANJAQFX-QFIPXVFZSA-N	1	0	391.519	3.558	1	30		GHEFRO
CCC(=O)/C(=C/OC)[C@H]1C[C@@H]2[N@@H+](CC[C@@]23C(=O)Nc2ccccc23)C[C@@H]1CC	ZINC000085643654	291131571	/nfs/dbraw/zinc/13/15/71/291131571.db2.gz	SUKNQWIKSRTNCA-GNYXBFSQSA-N	1	0	382.504	3.506	1	30	biogenic,in-vitro	GHEFRO
C[C@@H]1CCCC[N@@H+]1CC#CCn1nc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000103169313	212081017	/nfs/dbraw/zinc/08/10/17/212081017.db2.gz	YSMDVDPAAHXULP-HXUWFJFHSA-N	1	0	386.499	3.579	1	30		GHEFRO
CO/N=C1\C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\OCC[NH3+])C[C@H]12	ZINC000049803475	222001767	/nfs/dbraw/zinc/00/17/67/222001767.db2.gz	GWZOZHKWXSRRPW-XRZMVQAHSA-N	1	0	389.540	3.542	1	30		GHEFRO
O=C(/C=C/c1ccc2c(c1)C=CC1(CC[NH+](Cc3ccccc3)CC1)O2)NO	ZINC000073224751	222268874	/nfs/dbraw/zinc/26/88/74/222268874.db2.gz	YPHIVHHQTNUIMB-VQHVLOKHSA-N	1	0	376.456	3.646	1	30		GHEFRO
COc1ccc(NC(=O)c2ccc[n+](CC(=O)Nc3ccc(Cl)cc3)c2)cc1	ZINC000103202452	222492083	/nfs/dbraw/zinc/49/20/83/222492083.db2.gz	PGARJABIEGNMGQ-UHFFFAOYSA-O	1	0	396.854	3.527	1	30		GHEFRO
O/N=C1\CCc2cc(-c3cn(C[C@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21	ZINC000040425228	581096423	/nfs/dbraw/zinc/09/64/23/581096423.db2.gz	UYOJMJVLQBMLJD-KAAJHJJKSA-N	1	0	387.487	3.736	1	30		GHEFRO
CO[C@]1(C#C[C@H](O)C2c3ccccc3C=Cc3ccccc32)C[NH+]2CCC1CC2	ZINC000028563471	212108982	/nfs/dbraw/zinc/10/89/82/212108982.db2.gz	MFJMNDSAKGEJIM-AZGAKELHSA-N	1	0	385.507	3.777	1	30		GHEFRO
O=C(NO)[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1	ZINC000071315972	222181119	/nfs/dbraw/zinc/18/11/19/222181119.db2.gz	LTORJJKVRNGSHY-GOSISDBHSA-N	1	0	397.853	3.864	1	30		GHEFRO
C=CC[N@@H+]1CCc2c(Br)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1	ZINC000027324256	212107665	/nfs/dbraw/zinc/10/76/65/212107665.db2.gz	XKEQGYALVIXDMO-MRXNPFEDSA-N	1	0	390.277	3.742	1	30		GHEFRO
C=C(c1ccccc1N)[C@@]1(O)C[C@H](/C(=C\C)CO)C[C@@H]1[NH2+]Cc1ccccc1	ZINC000005498593	212081831	/nfs/dbraw/zinc/08/18/31/212081831.db2.gz	FOVDKDBHNLNUIY-WRHPGBTQSA-N	1	0	378.516	3.520	1	30		GHEFRO
COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CC[NH+](C)C	ZINC000013766054	212097691	/nfs/dbraw/zinc/09/76/91/212097691.db2.gz	HGLUOJRKGJMSNM-UHFFFAOYSA-N	1	0	385.467	3.923	1	30		GHEFRO
O/N=C1/CCc2cc(-c3cn(C[C@@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21	ZINC000100411265	581096382	/nfs/dbraw/zinc/09/63/82/581096382.db2.gz	UYOJMJVLQBMLJD-QQUBYAQKSA-N	1	0	387.487	3.736	1	30		GHEFRO