smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(F)cc2)C1	ZINC000027525625	206014083	/nfs/dbraw/zinc/01/40/83/206014083.db2.gz	RZQDDDNRXWSNNX-IBGZPJMESA-N	1	0	377.892	3.958	40	10		GHCBRO
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217027349	570311971	/nfs/dbraw/zinc/31/19/71/570311971.db2.gz	SJGYMUCWPAZYNE-QHCPKHFHSA-N	1	0	395.547	3.529	40	10		GHCBRO
O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2[s+]cc(-c3ccc(O)c(O)c3)n12	ZINC000001636441	203916366	/nfs/dbraw/zinc/91/63/66/203916366.db2.gz	LYYRIQMBKOTXAS-APSNUPSMSA-O	1	0	399.429	3.809	40	10		GHCBRO
CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N+]#N	ZINC000077953797	570927236	/nfs/dbraw/zinc/92/72/36/570927236.db2.gz	LCJFXSXAVBSADP-LJQANCHMSA-N	1	0	395.459	3.571	40	10		GHCBRO
CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000005665504	204145645	/nfs/dbraw/zinc/14/56/45/204145645.db2.gz	QELLECZGFFHTFO-INIZCTEOSA-N	1	0	392.499	3.702	40	10		GHCBRO
CCOc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(Cl)cc2)C1	ZINC000027525059	206011547	/nfs/dbraw/zinc/01/15/47/206011547.db2.gz	QNRSUCKWUAMJBI-HXUWFJFHSA-N	1	0	389.928	3.909	40	10		GHCBRO
CC(=O)N[C@@H]1C[C@H](c2ccc(O)c(C[NH+]3CCCCC3)c2)O[C@@H]2CCCC[C@@H]12	ZINC000257249657	206166306	/nfs/dbraw/zinc/16/63/06/206166306.db2.gz	JJGHYYZQVQVHBJ-KKSHJYNMSA-N	1	0	386.536	3.903	40	10		GHCBRO
CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000222975868	536045680	/nfs/dbraw/zinc/04/56/80/536045680.db2.gz	KCBYKYCESRORSU-QFIPXVFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
CCOc1ccc(O)c(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1	ZINC000012344538	204398437	/nfs/dbraw/zinc/39/84/37/204398437.db2.gz	HDCSGTWGUSFBJF-UHFFFAOYSA-N	1	0	386.467	3.557	40	10		GHCBRO
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000225394755	206046035	/nfs/dbraw/zinc/04/60/35/206046035.db2.gz	RTHBUSNMBVMCAV-UHFFFAOYSA-N	1	0	395.547	3.565	40	10		GHCBRO
COc1cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)ccc1N1CCCC1	ZINC000019715815	571037719	/nfs/dbraw/zinc/03/77/19/571037719.db2.gz	DEIFDAGTEAWPPY-UHFFFAOYSA-N	1	0	395.547	3.764	40	10		GHCBRO
CC/C(=C(\CC)c1ccc(O)c(C[NH+](CCO)CCO)c1)c1ccc(O)cc1	ZINC000001594244	570265666	/nfs/dbraw/zinc/26/56/66/570265666.db2.gz	RFVWDSLZDOERFY-DQRAZIAOSA-N	1	0	385.504	3.615	40	10		GHCBRO
C=C1[NH+]=C(SCC(C)C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408989034	528616746	/nfs/dbraw/zinc/61/67/46/528616746.db2.gz	JKMSIYLIVOGUSR-SFHVURJKSA-N	1	0	375.538	3.979	40	10		GHCBRO
COc1ccccc1C1([NH2+]Cc2ccc(O)c(CN3CCOCC3)c2)CCCC1	ZINC000012344397	204398741	/nfs/dbraw/zinc/39/87/41/204398741.db2.gz	DIWJYBIFYCTILJ-UHFFFAOYSA-N	1	0	396.531	3.792	40	10		GHCBRO
Cc1cc(C)cc(CSCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000216928742	136203122	/nfs/dbraw/zinc/20/31/22/136203122.db2.gz	SBTZKEZFBNYOPC-UHFFFAOYSA-N	1	0	397.588	3.605	40	10		GHCBRO
CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217024248	570311509	/nfs/dbraw/zinc/31/15/09/570311509.db2.gz	XGXIRPGTNMESAA-IBGZPJMESA-N	1	0	395.547	3.646	40	10		GHCBRO
CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000005846931	204153405	/nfs/dbraw/zinc/15/34/05/204153405.db2.gz	QELLECZGFFHTFO-MRXNPFEDSA-N	1	0	392.499	3.702	40	10		GHCBRO
CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000390770384	570899799	/nfs/dbraw/zinc/89/97/99/570899799.db2.gz	IUZBIAPAMJMEKV-LHSJRXKWSA-N	1	0	377.444	3.810	40	10		GHCBRO
COc1cccc(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1O	ZINC000019120785	570957067	/nfs/dbraw/zinc/95/70/67/570957067.db2.gz	WUVPMGKUPJHDIY-CYBMUJFWSA-N	1	0	386.477	3.595	40	10		GHCBRO
Cc1cc(CN(CC[NH+](C)C)Cc2cccnc2)c(C)n1-c1ncccc1C	ZINC000022931666	570379349	/nfs/dbraw/zinc/37/93/49/570379349.db2.gz	JXIHXIAFUXSKHC-UHFFFAOYSA-N	1	0	377.536	3.756	40	10		GHCBRO
CC1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(N(C)C)cc2)CC1	ZINC000004847688	570411942	/nfs/dbraw/zinc/41/19/42/570411942.db2.gz	RAOWSLXITKUKFR-JOCHJYFZSA-N	1	0	390.535	3.609	40	10		GHCBRO
Cc1c(Cl)cccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(F)cc2)C1	ZINC000027525627	208919034	/nfs/dbraw/zinc/91/90/34/208919034.db2.gz	RZQDDDNRXWSNNX-LJQANCHMSA-N	1	0	377.892	3.958	40	10		GHCBRO
O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2	ZINC000019376305	207119684	/nfs/dbraw/zinc/11/96/84/207119684.db2.gz	UOWTYSZBKPIDAC-UHFFFAOYSA-N	1	0	384.439	3.661	40	10		GHCBRO
C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1	ZINC000225776443	570616387	/nfs/dbraw/zinc/61/63/87/570616387.db2.gz	VGQGHDBHHGBOAA-UHFFFAOYSA-N	1	0	392.931	3.718	40	10		GHCBRO
COc1cc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(C)C	ZINC000225669094	570600547	/nfs/dbraw/zinc/60/05/47/570600547.db2.gz	VMPXBPWNJDKZAU-UHFFFAOYSA-N	1	0	395.547	3.809	40	10		GHCBRO
CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)nc1	ZINC000019705603	857771249	/nfs/dbraw/zinc/77/12/49/857771249.db2.gz	CKOXZDJOAWORKK-OAQYLSRUSA-N	1	0	392.547	3.545	40	10		GHCBRO
CN(C)C(=O)c1ccc(C2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)nc1	ZINC000019705806	207150987	/nfs/dbraw/zinc/15/09/87/207150987.db2.gz	RGSPMXGNHWRJAO-UHFFFAOYSA-N	1	0	392.547	3.545	40	10		GHCBRO
CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217028340	570311784	/nfs/dbraw/zinc/31/17/84/570311784.db2.gz	RHMAMRXHFSLOHS-QFIPXVFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217024286	570311504	/nfs/dbraw/zinc/31/15/04/570311504.db2.gz	XGXIRPGTNMESAA-LJQANCHMSA-N	1	0	395.547	3.646	40	10		GHCBRO
COc1ccccc1C1(O)CC[NH+](Cc2ccc(N3CCCC3)c(F)c2)CC1	ZINC000012328329	570643519	/nfs/dbraw/zinc/64/35/19/570643519.db2.gz	WATLQBCVNOFVAX-UHFFFAOYSA-N	1	0	384.495	3.918	40	10		GHCBRO
CC/C(=C(/CC)c1ccc(O)c(C[NH+](CCO)CCO)c1)c1ccc(O)cc1	ZINC000001594245	206386738	/nfs/dbraw/zinc/38/67/38/206386738.db2.gz	RFVWDSLZDOERFY-QURGRASLSA-N	1	0	385.504	3.615	40	10		GHCBRO
Cc1ccc(NC(=O)CCCC[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1	ZINC000001588622	206387273	/nfs/dbraw/zinc/38/72/73/206387273.db2.gz	JPIVNDIQZWPZMT-IERDGZPVSA-N	1	0	386.492	3.617	40	10		GHCBRO
CN(C)c1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1	ZINC000072392826	222248660	/nfs/dbraw/zinc/24/86/60/222248660.db2.gz	FJDLTYDXWFTAKC-UHFFFAOYSA-N	1	0	389.503	3.690	40	10		GHCBRO
COc1ccc(N2N=C(C)C(=C(C)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2=O)cc1	ZINC000112121853	534020299	/nfs/dbraw/zinc/02/02/99/534020299.db2.gz	LSBGTXGFZNUKBC-RGEXLXHISA-N	1	0	384.524	3.591	40	10		GHCBRO
Cc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000216930791	136203277	/nfs/dbraw/zinc/20/32/77/136203277.db2.gz	NKVFIQZQLOGFQT-GOSISDBHSA-N	1	0	383.561	3.544	40	10		GHCBRO
Oc1ccc(Br)cc1CN1CC[NH+](CCCc2ccccc2)CC1	ZINC000019361421	570951247	/nfs/dbraw/zinc/95/12/47/570951247.db2.gz	QCJWDPXCVPIOCV-UHFFFAOYSA-N	1	0	389.337	3.905	40	10		GHCBRO
Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000216930769	136203269	/nfs/dbraw/zinc/20/32/69/136203269.db2.gz	NKVFIQZQLOGFQT-SFHVURJKSA-N	1	0	383.561	3.544	40	10		GHCBRO
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000223005112	536044068	/nfs/dbraw/zinc/04/40/68/536044068.db2.gz	DXDGDZFKMWKCOR-QHCPKHFHSA-N	1	0	395.547	3.529	40	10		GHCBRO
CC[NH+](CC)CCC[C@@H](C)Nc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005460270	570440812	/nfs/dbraw/zinc/44/08/12/570440812.db2.gz	KAFNBNCBBLYFOI-CQSZACIVSA-N	1	0	396.487	3.796	40	10		GHCBRO
CN1CCCc2cc(CN3CCCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc21	ZINC000019590334	207141877	/nfs/dbraw/zinc/14/18/77/207141877.db2.gz	XFKRQXPQANVZJQ-QHCPKHFHSA-N	1	0	391.563	3.574	40	10		GHCBRO
COc1cc2ccccc2cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000219397384	136204305	/nfs/dbraw/zinc/20/43/05/136204305.db2.gz	VRHVRBNMRDNFBS-UHFFFAOYSA-N	1	0	389.499	3.530	40	10		GHCBRO
CCOc1ccc([C@]2(O)C[N+](c3ccccc3OCC)=C3SCCCN32)cc1	ZINC000027525102	857357179	/nfs/dbraw/zinc/35/71/79/857357179.db2.gz	SWNKNRABFJCICO-JOCHJYFZSA-N	1	0	399.536	3.655	40	10		GHCBRO
CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000222975836	535817807	/nfs/dbraw/zinc/81/78/07/535817807.db2.gz	KCBYKYCESRORSU-JOCHJYFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(O)c1	ZINC000019551830	210261868	/nfs/dbraw/zinc/26/18/68/210261868.db2.gz	QVLFRRSQGWWRLB-AWEZNQCLSA-N	1	0	397.500	3.592	40	10		GHCBRO
c1ccc(CN2CCC([N@@H+]3CCCN(c4ccc5c(c4)OCO5)CC3)CC2)cc1	ZINC000072347939	211095167	/nfs/dbraw/zinc/09/51/67/211095167.db2.gz	SJLLEAYZSPTSEU-UHFFFAOYSA-N	1	0	393.531	3.592	40	10		GHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)CSc3ccc(Cl)cc3)cc2)CC1	ZINC000216927995	136203260	/nfs/dbraw/zinc/20/32/60/136203260.db2.gz	RQPMWHRKQQHDSB-UHFFFAOYSA-N	1	0	389.952	3.500	40	10		GHCBRO
O=C1/C(=C\c2ccc3c(c2)OCO3)Sc2scc(-c3ccc(O)c(O)c3)[n+]21	ZINC000001636164	209336016	/nfs/dbraw/zinc/33/60/16/209336016.db2.gz	HCSZLOLPWYTKLS-UBKPWBPPSA-O	1	0	398.441	3.630	40	10		GHCBRO
CN(C)c1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)cc1	ZINC000072392701	211110159	/nfs/dbraw/zinc/11/01/59/211110159.db2.gz	HBDYWCOWUQNPEL-UHFFFAOYSA-N	1	0	389.503	3.690	40	10		GHCBRO
CC(C)N1CCc2cc(C[N@H+](C)Cc3ccccc3N3CCOCC3)ccc21	ZINC000019715881	210287614	/nfs/dbraw/zinc/28/76/14/210287614.db2.gz	MBVIYFYVPZAWPK-UHFFFAOYSA-N	1	0	379.548	3.926	40	10		GHCBRO
Cc1ccc(NC(=O)CCCC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1	ZINC000001588625	209334004	/nfs/dbraw/zinc/33/40/04/209334004.db2.gz	JPIVNDIQZWPZMT-HRAATJIYSA-N	1	0	386.492	3.617	40	10		GHCBRO
COc1ccccc1C=c1sc2[s+]cc(-c3ccc(O)c(O)c3)n2c1=O	ZINC000001636464	209335830	/nfs/dbraw/zinc/33/58/30/209335830.db2.gz	FUMNPECDLWYZOH-RQZCQDPDSA-O	1	0	384.458	3.909	40	10		GHCBRO
COc1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCCC3)C2=O)cc1OC	ZINC000016227140	210186569	/nfs/dbraw/zinc/18/65/69/210186569.db2.gz	NFHIHECIVCVESB-ATVHPVEESA-N	1	0	392.546	3.739	40	10		GHCBRO
COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccc(N(C)C)cc2)CC3)c1	ZINC000096221482	211319612	/nfs/dbraw/zinc/31/96/12/211319612.db2.gz	ZUCIFMHEVZZBAS-OAQYLSRUSA-N	1	0	395.547	3.997	40	10		GHCBRO
CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000390770386	570899858	/nfs/dbraw/zinc/89/98/58/570899858.db2.gz	IUZBIAPAMJMEKV-SZNDQCEHSA-N	1	0	377.444	3.810	40	10		GHCBRO
COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccc(N(C)C)cc2)CC3)c1	ZINC000096221480	211320375	/nfs/dbraw/zinc/32/03/75/211320375.db2.gz	ZUCIFMHEVZZBAS-NRFANRHFSA-N	1	0	395.547	3.997	40	10		GHCBRO
CCN(CC)c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1	ZINC000006869679	570497449	/nfs/dbraw/zinc/49/74/49/570497449.db2.gz	ZXGPQFKYZTWQRS-UHFFFAOYSA-N	1	0	396.564	3.781	40	10		GHCBRO
CN(C)c1ccc(C[N@H+](CCCn2ccnc2)Cc2nc3ccccc3[nH]2)cc1	ZINC000012146978	570617273	/nfs/dbraw/zinc/61/72/73/570617273.db2.gz	MVFZCHWTZXXQRV-UHFFFAOYSA-N	1	0	388.519	3.918	40	10		GHCBRO
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000104841068	570723550	/nfs/dbraw/zinc/72/35/50/570723550.db2.gz	VUKPUSJJOYTIRR-IBGZPJMESA-N	1	0	395.484	3.517	40	10		GHCBRO
COc1cccc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1O	ZINC000019120788	210227484	/nfs/dbraw/zinc/22/74/84/210227484.db2.gz	WUVPMGKUPJHDIY-ZDUSSCGKSA-N	1	0	386.477	3.595	40	10		GHCBRO
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N+]#N	ZINC000102370823	570936620	/nfs/dbraw/zinc/93/66/20/570936620.db2.gz	LCJFXSXAVBSADP-IBGZPJMESA-N	1	0	395.459	3.571	40	10		GHCBRO
CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1	ZINC000019584975	210269793	/nfs/dbraw/zinc/26/97/93/210269793.db2.gz	XDPVBOWTZLTYQH-OAQYLSRUSA-N	1	0	389.503	3.625	40	10		GHCBRO
CN(C)C(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)nc1	ZINC000019705604	210284122	/nfs/dbraw/zinc/28/41/22/210284122.db2.gz	CKOXZDJOAWORKK-NRFANRHFSA-N	1	0	392.547	3.545	40	10		GHCBRO
CC(C)c1ccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000217031657	570311849	/nfs/dbraw/zinc/31/18/49/570311849.db2.gz	ATAUOWBBGKYUOF-UHFFFAOYSA-N	1	0	379.548	3.811	40	10		GHCBRO
CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000390770385	570899650	/nfs/dbraw/zinc/89/96/50/570899650.db2.gz	IUZBIAPAMJMEKV-SPLOXXLWSA-N	1	0	377.444	3.810	40	10		GHCBRO
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000409249619	231187851	/nfs/dbraw/zinc/18/78/51/231187851.db2.gz	UXGIUMLGHWWXIB-FYJGNVAPSA-N	1	0	386.455	3.890	40	10		GHCBRO
Cc1ccc(NC(=O)CCCC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1	ZINC000001588623	209333714	/nfs/dbraw/zinc/33/37/14/209333714.db2.gz	JPIVNDIQZWPZMT-KKSFZXQISA-N	1	0	386.492	3.617	40	10		GHCBRO
CN(C)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccc(Cl)cc2)C3)cc1	ZINC000096070751	211297901	/nfs/dbraw/zinc/29/79/01/211297901.db2.gz	QTIZAKXFNGXJDJ-UHFFFAOYSA-N	1	0	397.950	3.683	40	10		GHCBRO
CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1	ZINC000019584977	210271035	/nfs/dbraw/zinc/27/10/35/210271035.db2.gz	XDPVBOWTZLTYQH-NRFANRHFSA-N	1	0	389.503	3.625	40	10		GHCBRO
CC(C)Oc1cccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000225777105	570616306	/nfs/dbraw/zinc/61/63/06/570616306.db2.gz	XIQREAADFONMLM-UHFFFAOYSA-N	1	0	398.576	3.712	40	10		GHCBRO
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217027313	570311773	/nfs/dbraw/zinc/31/17/73/570311773.db2.gz	SJGYMUCWPAZYNE-HSZRJFAPSA-N	1	0	395.547	3.529	40	10		GHCBRO
CN(C)c1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)CCO3)cc1	ZINC000036740213	570568675	/nfs/dbraw/zinc/56/86/75/570568675.db2.gz	QUFZXXSYOAMLFV-UHFFFAOYSA-N	1	0	390.531	3.977	40	10		GHCBRO
CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217028686	570312003	/nfs/dbraw/zinc/31/20/03/570312003.db2.gz	CCSFHTNZNFDWSV-JOCHJYFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1	ZINC000019584971	571015317	/nfs/dbraw/zinc/01/53/17/571015317.db2.gz	HNQBBBCRJWNNMK-OAQYLSRUSA-N	1	0	389.503	3.625	40	10		GHCBRO
O=C1/C(=C/c2ccc3c(c2)OCO3)Sc2scc(-c3ccc(O)c(O)c3)[n+]21	ZINC000001636165	212251716	/nfs/dbraw/zinc/25/17/16/212251716.db2.gz	HCSZLOLPWYTKLS-FMQZQXMHSA-O	1	0	398.441	3.630	40	10		GHCBRO
COc1ccccc1C=c1sc2[s+]cc(-c3ccc(O)c(O)c3)n2c1=O	ZINC000016958355	221374300	/nfs/dbraw/zinc/37/43/00/221374300.db2.gz	FUMNPECDLWYZOH-MFOYZWKCSA-O	1	0	384.458	3.909	40	10		GHCBRO
CCOc1ccc([C@@]2(O)C[N+](c3ccccc3OCC)=C3SCCCN32)cc1	ZINC000027525100	857356750	/nfs/dbraw/zinc/35/67/50/857356750.db2.gz	SWNKNRABFJCICO-QFIPXVFZSA-N	1	0	399.536	3.655	40	10		GHCBRO
O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2[s+]cc(-c3ccc(O)c(O)c3)n12	ZINC000001636440	212251978	/nfs/dbraw/zinc/25/19/78/212251978.db2.gz	LYYRIQMBKOTXAS-FRKPEAEDSA-O	1	0	399.429	3.809	40	10		GHCBRO
O=c1cc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc(-c2ccccn2)[nH]1	ZINC000072392843	222249639	/nfs/dbraw/zinc/24/96/39/222249639.db2.gz	ZOZNNZKJYUJZLQ-UHFFFAOYSA-N	1	0	396.878	3.983	40	10		GHCBRO
CC1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(N(C)C)cc2)CC1	ZINC000004847687	570412083	/nfs/dbraw/zinc/41/20/83/570412083.db2.gz	RAOWSLXITKUKFR-QFIPXVFZSA-N	1	0	390.535	3.609	40	10		GHCBRO
CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1	ZINC000019584973	571015301	/nfs/dbraw/zinc/01/53/01/571015301.db2.gz	HNQBBBCRJWNNMK-NRFANRHFSA-N	1	0	389.503	3.625	40	10		GHCBRO
Cc1ccc(NC(=O)CCCC[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1	ZINC000001588624	212251143	/nfs/dbraw/zinc/25/11/43/212251143.db2.gz	JPIVNDIQZWPZMT-IIBYNOLFSA-N	1	0	386.492	3.617	40	10		GHCBRO
COc1cc(NC(N)=O)ccc1Nc1c2ccc(N)cc2[nH+]c2cc(N)ccc21	ZINC000005390322	220864551	/nfs/dbraw/zinc/86/45/51/220864551.db2.gz	ZUAARCDNMVJQEF-UHFFFAOYSA-N	1	0	388.431	3.795	40	10		GHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1	ZINC000216943221	136203282	/nfs/dbraw/zinc/20/32/82/136203282.db2.gz	IZBPXBSEGZCXQV-UHFFFAOYSA-N	1	0	393.575	3.985	40	10		GHCBRO
CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217028723	570312093	/nfs/dbraw/zinc/31/20/93/570312093.db2.gz	CCSFHTNZNFDWSV-QFIPXVFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217028296	570312108	/nfs/dbraw/zinc/31/21/08/570312108.db2.gz	RHMAMRXHFSLOHS-JOCHJYFZSA-N	1	0	395.547	3.529	40	10		GHCBRO
COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(O)c1	ZINC000019551828	571001631	/nfs/dbraw/zinc/00/16/31/571001631.db2.gz	QVLFRRSQGWWRLB-CQSZACIVSA-N	1	0	397.500	3.592	40	10		GHCBRO
Cc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000225776192	222696135	/nfs/dbraw/zinc/69/61/35/222696135.db2.gz	RWLIXKLFJCPWHM-UHFFFAOYSA-N	1	0	388.968	3.887	40	10		GHCBRO
CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCc1ccccc1	ZINC000005414404	560201829	/nfs/dbraw/zinc/20/18/29/560201829.db2.gz	KZCVZUGUGPNOHD-PMACEKPBSA-N	1	0	396.531	3.955	40	10	biogenic,in-vitro	GHCBRO
C=C1[NH+]=C(SCC(C)C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408989033	528617733	/nfs/dbraw/zinc/61/77/33/528617733.db2.gz	JKMSIYLIVOGUSR-GOSISDBHSA-N	1	0	375.538	3.979	40	10		GHCBRO
CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1	ZINC000012219477	221168852	/nfs/dbraw/zinc/16/88/52/221168852.db2.gz	HCTUTDDBUUNGPP-UHFFFAOYSA-N	1	0	395.522	3.836	40	10		GHCBRO
CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000225777073	570616477	/nfs/dbraw/zinc/61/64/77/570616477.db2.gz	RPQHTHHCAJXTEU-UHFFFAOYSA-N	1	0	398.576	3.712	40	10		GHCBRO
CC(C)Sc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000217037122	570312526	/nfs/dbraw/zinc/31/25/26/570312526.db2.gz	JLGLEBKEHMNHIG-UHFFFAOYSA-N	1	0	383.561	3.869	40	10		GHCBRO
CN1CCCc2cc(CN3CCCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc21	ZINC000019590335	571017383	/nfs/dbraw/zinc/01/73/83/571017383.db2.gz	XFKRQXPQANVZJQ-HSZRJFAPSA-N	1	0	391.563	3.574	40	10		GHCBRO
Cc1cc(N2CCOCC2)ccc1C[NH2+]CC1(c2cccc(F)c2)CCOCC1	ZINC000019715712	571037239	/nfs/dbraw/zinc/03/72/39/571037239.db2.gz	FBQXHBNGFNUZSW-UHFFFAOYSA-N	1	0	398.522	3.809	40	10		GHCBRO
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000096330803	212156025	/nfs/dbraw/zinc/15/60/25/212156025.db2.gz	IUZBIAPAMJMEKV-QKKBWIMNSA-N	1	0	377.444	3.810	40	10		GHCBRO
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000223005052	535817740	/nfs/dbraw/zinc/81/77/40/535817740.db2.gz	DXDGDZFKMWKCOR-HSZRJFAPSA-N	1	0	395.547	3.529	40	10		GHCBRO
CCOc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000027525057	857354226	/nfs/dbraw/zinc/35/42/26/857354226.db2.gz	QNRSUCKWUAMJBI-FQEVSTJZSA-N	1	0	389.928	3.909	40	10		GHCBRO
CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000390755802	570900761	/nfs/dbraw/zinc/90/07/61/570900761.db2.gz	VUKPUSJJOYTIRR-LJQANCHMSA-N	1	0	395.484	3.517	40	10		GHCBRO