smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1nccc1C[NH2+]C(CO)CO	160641826	582700927	/nfs/dbraw/zinc/70/09/27/582700927.db2.gz	LKJBXPIAYLMYPF-UHFFFAOYSA-N	1	0	199.254	-0.654	20	70		ABIDRO
CC[NH+](CC)CC(=O)Nn1cnnc1	217539456	583489231	/nfs/dbraw/zinc/48/92/31/583489231.db2.gz	RWFKGAQWEMXBTP-UHFFFAOYSA-N	1	0	197.242	-0.310	20	70		ABIDRO
C[N@@H+]1CCCN([C@@H]2CCOC2=O)CC1	217945322	583490759	/nfs/dbraw/zinc/49/07/59/583490759.db2.gz	MBLIVBVGBJDXDC-SECBINFHSA-N	1	0	198.266	-0.061	20	70		ABIDRO
CCCCOC(=O)CNC(=O)C[NH3+]	218156834	583491481	/nfs/dbraw/zinc/49/14/81/583491481.db2.gz	HTVXYMZUSLMIML-UHFFFAOYSA-N	1	0	188.227	-0.595	20	70		ABIDRO
CC[N@H+](CCNC(N)=[NH2+])C1CC1	218001240	583491767	/nfs/dbraw/zinc/49/17/67/583491767.db2.gz	MLQFKCOZUOSLOQ-UHFFFAOYSA-N	1	0	170.260	-0.046	20	70		ABIDRO
CNC(=[NH2+])NCCCOCCOC	217999423	583491883	/nfs/dbraw/zinc/49/18/83/583491883.db2.gz	GPZYODFMKGOFET-UHFFFAOYSA-N	1	0	189.259	-0.217	20	70		ABIDRO
CCCNC(=[NH2+])NCc1ncn(C)n1	218733874	583492850	/nfs/dbraw/zinc/49/28/50/583492850.db2.gz	CBMLOVQNCPITIG-UHFFFAOYSA-N	1	0	196.258	-0.161	20	70		ABIDRO
CCNS(=O)(=O)N(CC)CC[NH3+]	160143739	344158751	/nfs/dbraw/zinc/15/87/51/344158751.db2.gz	PPOBYZSSYSTLEC-UHFFFAOYSA-N	1	0	195.288	-0.879	20	70		ABIDRO
CCOC(=O)CNC(=O)C[NH+](C)C	216768625	344399372	/nfs/dbraw/zinc/39/93/72/344399372.db2.gz	NMBQMFLISHEVFT-UHFFFAOYSA-N	1	0	188.227	-0.773	20	70		ABIDRO
Cc1n[nH]cc1CNC(=O)C[NH+](C)C	218197844	344410696	/nfs/dbraw/zinc/41/06/96/344410696.db2.gz	YHGJCZAQZZICLR-UHFFFAOYSA-N	1	0	196.254	-0.104	20	70		ABIDRO
CNC(=[NH2+])NCc1ncn(C)n1	218721376	344415183	/nfs/dbraw/zinc/41/51/83/344415183.db2.gz	ROMLUEXVGYRZFV-UHFFFAOYSA-N	1	0	168.204	-0.941	20	70		ABIDRO
CO[C@@H](C)C(=O)NCC[NH+](C)C	160502129	344167615	/nfs/dbraw/zinc/16/76/15/344167615.db2.gz	VOKJFENZJSNISI-ZETCQYMHSA-N	1	0	174.244	-0.301	20	70		ABIDRO
CO[C@H](C)C(=O)NCC[NH+](C)C	160502244	344167647	/nfs/dbraw/zinc/16/76/47/344167647.db2.gz	VOKJFENZJSNISI-SSDOTTSWSA-N	1	0	174.244	-0.301	20	70		ABIDRO
COC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1	160597459	344170924	/nfs/dbraw/zinc/17/09/24/344170924.db2.gz	ASVTXWOJGPSUGA-YUMQZZPRSA-N	1	0	186.255	-0.172	20	70		ABIDRO
COC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1	160597370	344170931	/nfs/dbraw/zinc/17/09/31/344170931.db2.gz	ASVTXWOJGPSUGA-HTQZYQBOSA-N	1	0	186.255	-0.172	20	70		ABIDRO
COC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1	160597269	344170960	/nfs/dbraw/zinc/17/09/60/344170960.db2.gz	ASVTXWOJGPSUGA-JGVFFNPUSA-N	1	0	186.255	-0.172	20	70		ABIDRO
COC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1	160597549	344171064	/nfs/dbraw/zinc/17/10/64/344171064.db2.gz	ASVTXWOJGPSUGA-SFYZADRCSA-N	1	0	186.255	-0.172	20	70		ABIDRO
CO[C@@H](C)C(=O)NCC[C@H](C)[NH3+]	160926809	344180724	/nfs/dbraw/zinc/18/07/24/344180724.db2.gz	WHJFFKIVDVZXPX-BQBZGAKWSA-N	1	0	174.244	-0.125	20	70		ABIDRO
CO[C@H](C)C(=O)NCC[C@H](C)[NH3+]	160926584	344180834	/nfs/dbraw/zinc/18/08/34/344180834.db2.gz	WHJFFKIVDVZXPX-NKWVEPMBSA-N	1	0	174.244	-0.125	20	70		ABIDRO
CC(C)[N@H+](C)CCNS(N)(=O)=O	161024079	344183498	/nfs/dbraw/zinc/18/34/98/344183498.db2.gz	SWHYTSJTIVRQCK-UHFFFAOYSA-N	1	0	195.288	-0.880	20	70		ABIDRO
C[N@H+](CCO)CCn1cncn1	217368198	344401407	/nfs/dbraw/zinc/40/14/07/344401407.db2.gz	SVIDPNDFBHAXCV-UHFFFAOYSA-N	1	0	170.216	-0.798	20	70		ABIDRO
C[NH+](C)CC(=O)NCc1cc[nH]n1	218028707	344409425	/nfs/dbraw/zinc/40/94/25/344409425.db2.gz	YRQPCUIDZDKYQN-UHFFFAOYSA-N	1	0	182.227	-0.413	20	70		ABIDRO
C[C@@H](CC(N)=O)[NH2+]CCN1CCCC1	218618699	344414384	/nfs/dbraw/zinc/41/43/84/344414384.db2.gz	XFBRNDCODPIDJJ-VIFPVBQESA-N	1	0	199.298	-0.064	20	70		ABIDRO
C[C@H](CC(N)=O)[NH2+]CCN1CCCC1	218618782	344414430	/nfs/dbraw/zinc/41/44/30/344414430.db2.gz	XFBRNDCODPIDJJ-SECBINFHSA-N	1	0	199.298	-0.064	20	70		ABIDRO
CCN(CC[NH2+]CCC(N)=O)C1CC1	218364484	409513729	/nfs/dbraw/zinc/51/37/29/409513729.db2.gz	XMMPDSPJOHWMKR-UHFFFAOYSA-N	1	0	199.298	-0.064	20	70		ABIDRO
C[C@H](C[NH2+]CCC(N)=O)N(C)C1CC1	218641834	409513848	/nfs/dbraw/zinc/51/38/48/409513848.db2.gz	XIVZYGSJCKDHOI-MRVPVSSYSA-N	1	0	199.298	-0.066	20	70		ABIDRO
C[C@@H](C[NH2+]CCC(N)=O)N(C)C1CC1	218641757	409514460	/nfs/dbraw/zinc/51/44/60/409514460.db2.gz	XIVZYGSJCKDHOI-QMMMGPOBSA-N	1	0	199.298	-0.066	20	70		ABIDRO
C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(N)=O	159366552	538033177	/nfs/dbraw/zinc/03/31/77/538033177.db2.gz	IPWWBSSKKSOOSL-SFYZADRCSA-N	1	0	186.255	-0.293	20	70		ABIDRO
C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(N)=O	159366850	538033272	/nfs/dbraw/zinc/03/32/72/538033272.db2.gz	IPWWBSSKKSOOSL-HTQZYQBOSA-N	1	0	186.255	-0.293	20	70		ABIDRO
C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(N)=O	159366411	538035883	/nfs/dbraw/zinc/03/58/83/538035883.db2.gz	IPWWBSSKKSOOSL-YUMQZZPRSA-N	1	0	186.255	-0.293	20	70		ABIDRO
C[C@H](O)C[C@H]1CCC[N@@H+]1CC(N)=O	159366715	538034255	/nfs/dbraw/zinc/03/42/55/538034255.db2.gz	IPWWBSSKKSOOSL-JGVFFNPUSA-N	1	0	186.255	-0.293	20	70		ABIDRO
CCn1nccc1C[NH2+]C[C@H](O)CO	160242125	538038055	/nfs/dbraw/zinc/03/80/55/538038055.db2.gz	UYBMENXLFOOKFG-VIFPVBQESA-N	1	0	199.254	-0.654	20	70		ABIDRO
Cc1cccnc1C[NH2+]C(CO)CO	159877210	538038718	/nfs/dbraw/zinc/03/87/18/538038718.db2.gz	YLOGPFNPZPSXLP-UHFFFAOYSA-N	1	0	196.250	-0.167	20	70		ABIDRO
CCn1nccc1C[NH2+]C[C@@H](O)CO	160242272	538041145	/nfs/dbraw/zinc/04/11/45/538041145.db2.gz	UYBMENXLFOOKFG-SECBINFHSA-N	1	0	199.254	-0.654	20	70		ABIDRO
CC[C@@H](CCO)NC(=O)C[NH+](C)C	160513195	538045297	/nfs/dbraw/zinc/04/52/97/538045297.db2.gz	YNYSAEGFPPFQPU-QMMMGPOBSA-N	1	0	188.271	-0.175	20	70		ABIDRO
CC[C@H](CCO)NC(=O)C[NH+](C)C	160513323	538045666	/nfs/dbraw/zinc/04/56/66/538045666.db2.gz	YNYSAEGFPPFQPU-MRVPVSSYSA-N	1	0	188.271	-0.175	20	70		ABIDRO
C[C@H](CC(N)=O)[NH2+][C@H]1CCOC1	160672713	538048058	/nfs/dbraw/zinc/04/80/58/538048058.db2.gz	PPHGKFBFTDYIBV-RQJHMYQMSA-N	1	0	172.228	-0.371	20	70		ABIDRO
C[C@@H](CC(N)=O)[NH2+][C@H]1CCOC1	160672576	538048637	/nfs/dbraw/zinc/04/86/37/538048637.db2.gz	PPHGKFBFTDYIBV-BQBZGAKWSA-N	1	0	172.228	-0.371	20	70		ABIDRO
CC[C@@H](C(N)=O)[N@H+](CC)CCCO	160725212	538049095	/nfs/dbraw/zinc/04/90/95/538049095.db2.gz	CAKFRMJUQZTNIK-QMMMGPOBSA-N	1	0	188.271	-0.045	20	70		ABIDRO
C[C@@H](CC(N)=O)[NH2+]Cc1ccn(C)n1	160798507	538049732	/nfs/dbraw/zinc/04/97/32/538049732.db2.gz	GDYJPPILIJLWJH-ZETCQYMHSA-N	1	0	196.254	-0.226	20	70		ABIDRO
CC[C@H](C(N)=O)[N@H+](CC)CCCO	160725340	538050230	/nfs/dbraw/zinc/05/02/30/538050230.db2.gz	CAKFRMJUQZTNIK-MRVPVSSYSA-N	1	0	188.271	-0.045	20	70		ABIDRO
C[C@H](CC(N)=O)[NH2+]Cc1ccn(C)n1	160798624	538051510	/nfs/dbraw/zinc/05/15/10/538051510.db2.gz	GDYJPPILIJLWJH-SSDOTTSWSA-N	1	0	196.254	-0.226	20	70		ABIDRO
CCNS(=O)(=O)NC[C@@H](C)C[NH3+]	160169342	486974319	/nfs/dbraw/zinc/97/43/19/486974319.db2.gz	JRWZTYOUUAIXDI-LURJTMIESA-N	1	0	195.288	-0.975	20	70		ABIDRO
CCCNS(=O)(=O)N[C@H](C)C[NH3+]	160133832	486974937	/nfs/dbraw/zinc/97/49/37/486974937.db2.gz	PNJYZEGJQOITLK-ZCFIWIBFSA-N	1	0	195.288	-0.832	20	70		ABIDRO
CCNS(=O)(=O)N[C@H](C)CC[NH3+]	160164509	486974943	/nfs/dbraw/zinc/97/49/43/486974943.db2.gz	QNWMPCGHIPWAOK-ZCFIWIBFSA-N	1	0	195.288	-0.832	20	70		ABIDRO
CC(C)NS(=O)(=O)N[C@H](C)C[NH3+]	160133598	486974995	/nfs/dbraw/zinc/97/49/95/486974995.db2.gz	BQFLPORBPBTJAM-ZCFIWIBFSA-N	1	0	195.288	-0.834	20	70		ABIDRO
CCNS(=O)(=O)NC[C@H](C)C[NH3+]	160169481	486975072	/nfs/dbraw/zinc/97/50/72/486975072.db2.gz	JRWZTYOUUAIXDI-ZCFIWIBFSA-N	1	0	195.288	-0.975	20	70		ABIDRO
CCNS(=O)(=O)N[C@@H](C)CC[NH3+]	160164377	486975135	/nfs/dbraw/zinc/97/51/35/486975135.db2.gz	QNWMPCGHIPWAOK-LURJTMIESA-N	1	0	195.288	-0.832	20	70		ABIDRO
CCNC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1	160599206	486975858	/nfs/dbraw/zinc/97/58/58/486975858.db2.gz	IBQFXLSHHWYGMY-RKDXNWHRSA-N	1	0	199.298	-0.208	20	70		ABIDRO
CCNC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1	160599073	486976744	/nfs/dbraw/zinc/97/67/44/486976744.db2.gz	IBQFXLSHHWYGMY-BDAKNGLRSA-N	1	0	199.298	-0.208	20	70		ABIDRO
CC(C)NS(=O)(=O)NC[C@@H](C)[NH3+]	160861624	486977132	/nfs/dbraw/zinc/97/71/32/486977132.db2.gz	CWEDTYMBXASXGN-ZCFIWIBFSA-N	1	0	195.288	-0.834	20	70		ABIDRO
CC[NH+](CC)CCNS(N)(=O)=O	160782749	486977219	/nfs/dbraw/zinc/97/72/19/486977219.db2.gz	OPJSMPUWCALRDV-UHFFFAOYSA-N	1	0	195.288	-0.879	20	70		ABIDRO
C[C@@H](CC(N)=O)[NH2+][C@@H]1CCOC1	160672334	486977188	/nfs/dbraw/zinc/97/71/88/486977188.db2.gz	PPHGKFBFTDYIBV-NKWVEPMBSA-N	1	0	172.228	-0.371	20	70		ABIDRO
CCCNS(=O)(=O)NC[C@H](C)[NH3+]	160860669	486977278	/nfs/dbraw/zinc/97/72/78/486977278.db2.gz	TXPQVHUMLKOEGO-LURJTMIESA-N	1	0	195.288	-0.832	20	70		ABIDRO
CCNS(=O)(=O)NC[C@@H]([NH3+])CC	160863580	486977417	/nfs/dbraw/zinc/97/74/17/486977417.db2.gz	NHFZNZIJFJIWFR-LURJTMIESA-N	1	0	195.288	-0.832	20	70		ABIDRO
CC(C)NS(=O)(=O)NC[C@H](C)[NH3+]	160861727	486977460	/nfs/dbraw/zinc/97/74/60/486977460.db2.gz	CWEDTYMBXASXGN-LURJTMIESA-N	1	0	195.288	-0.834	20	70		ABIDRO
CCCNS(=O)(=O)NCC[NH2+]C	160842314	486977508	/nfs/dbraw/zinc/97/75/08/486977508.db2.gz	ZXHZOBPOGJDFMQ-UHFFFAOYSA-N	1	0	195.288	-0.960	20	70		ABIDRO
C[NH2+]CCNS(=O)(=O)NC(C)C	160842893	486977548	/nfs/dbraw/zinc/97/75/48/486977548.db2.gz	GQLGLDPHZVVKMS-UHFFFAOYSA-N	1	0	195.288	-0.962	20	70		ABIDRO
C[C@H](CC(N)=O)[NH2+][C@@H]1CCOC1	160672463	486977561	/nfs/dbraw/zinc/97/75/61/486977561.db2.gz	PPHGKFBFTDYIBV-RNFRBKRXSA-N	1	0	172.228	-0.371	20	70		ABIDRO
CCNS(=O)(=O)NC[C@H]([NH3+])CC	160863686	486977758	/nfs/dbraw/zinc/97/77/58/486977758.db2.gz	NHFZNZIJFJIWFR-ZCFIWIBFSA-N	1	0	195.288	-0.832	20	70		ABIDRO
CCCNS(=O)(=O)NC[C@@H](C)[NH3+]	160860570	486977817	/nfs/dbraw/zinc/97/78/17/486977817.db2.gz	TXPQVHUMLKOEGO-ZCFIWIBFSA-N	1	0	195.288	-0.832	20	70		ABIDRO
CC[NH2+]CCNC(=O)[C@H](C)OC	160927927	486978291	/nfs/dbraw/zinc/97/82/91/486978291.db2.gz	QZOOXQDBTXBHHW-ZETCQYMHSA-N	1	0	174.244	-0.253	20	70		ABIDRO
C[C@H](CO)C[N@@H+](C)C[C@@H](C)O	160958436	486978355	/nfs/dbraw/zinc/97/83/55/486978355.db2.gz	HLTYVXKCFDOPNB-JGVFFNPUSA-N	1	0	161.245	-0.073	20	70		ABIDRO
CO[C@@H](C)C(=O)NC(C)(C)C[NH3+]	160929643	486978418	/nfs/dbraw/zinc/97/84/18/486978418.db2.gz	LKXMHPGPJWPVHG-LURJTMIESA-N	1	0	174.244	-0.125	20	70		ABIDRO
CO[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1	160939826	486978435	/nfs/dbraw/zinc/97/84/35/486978435.db2.gz	SHUVYJIQXFSJIC-XPUUQOCRSA-N	1	0	186.255	-0.125	20	70		ABIDRO
C[C@@H](O)C[N@H+](C)C[C@@H](C)CO	160958550	486978445	/nfs/dbraw/zinc/97/84/45/486978445.db2.gz	HLTYVXKCFDOPNB-HTQZYQBOSA-N	1	0	161.245	-0.073	20	70		ABIDRO
C[NH2+]CCNC(=O)[C@@H](C)OC	160927207	486978454	/nfs/dbraw/zinc/97/84/54/486978454.db2.gz	OMNDFPYRIFTMFH-ZCFIWIBFSA-N	1	0	160.217	-0.643	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@H](C)C[NH3+]	160969472	486978472	/nfs/dbraw/zinc/97/84/72/486978472.db2.gz	MDJNXOBXYAYYJZ-RNFRBKRXSA-N	1	0	174.244	-0.268	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@H](C)C[NH3+]	160969716	486978499	/nfs/dbraw/zinc/97/84/99/486978499.db2.gz	MDJNXOBXYAYYJZ-RQJHMYQMSA-N	1	0	174.244	-0.268	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@@H]([NH3+])C1CC1	161011247	486978544	/nfs/dbraw/zinc/97/85/44/486978544.db2.gz	OFADCCHEUJNKSW-HTRCEHHLSA-N	1	0	186.255	-0.125	20	70		ABIDRO
C[NH2+]CCCNC(=O)[C@H](C)OC	160919512	486978549	/nfs/dbraw/zinc/97/85/49/486978549.db2.gz	QHQALFWKDFWPNJ-ZETCQYMHSA-N	1	0	174.244	-0.253	20	70		ABIDRO
CO[C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1	160939954	486978614	/nfs/dbraw/zinc/97/86/14/486978614.db2.gz	SHUVYJIQXFSJIC-SVRRBLITSA-N	1	0	186.255	-0.125	20	70		ABIDRO
C[NH2+]CCNC(=O)[C@H](C)OC	160927082	486978627	/nfs/dbraw/zinc/97/86/27/486978627.db2.gz	OMNDFPYRIFTMFH-LURJTMIESA-N	1	0	160.217	-0.643	20	70		ABIDRO
CO[C@H](C)C(=O)N[C@H](C[NH3+])C1CC1	160940224	486978636	/nfs/dbraw/zinc/97/86/36/486978636.db2.gz	SHUVYJIQXFSJIC-HTRCEHHLSA-N	1	0	186.255	-0.125	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1	160928336	486978670	/nfs/dbraw/zinc/97/86/70/486978670.db2.gz	KVUKAYNOHHYWQX-JGVFFNPUSA-N	1	0	186.255	-0.111	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1	160928079	486978892	/nfs/dbraw/zinc/97/88/92/486978892.db2.gz	KVUKAYNOHHYWQX-YUMQZZPRSA-N	1	0	186.255	-0.111	20	70		ABIDRO
CO[C@H](C)C(=O)NC(C)(C)C[NH3+]	160929774	486978942	/nfs/dbraw/zinc/97/89/42/486978942.db2.gz	LKXMHPGPJWPVHG-ZCFIWIBFSA-N	1	0	174.244	-0.125	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1	160928221	486978955	/nfs/dbraw/zinc/97/89/55/486978955.db2.gz	KVUKAYNOHHYWQX-SFYZADRCSA-N	1	0	186.255	-0.111	20	70		ABIDRO
CC[NH2+]CCNC(=O)[C@@H](C)OC	160927821	486978978	/nfs/dbraw/zinc/97/89/78/486978978.db2.gz	QZOOXQDBTXBHHW-SSDOTTSWSA-N	1	0	174.244	-0.253	20	70		ABIDRO
CO[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1	160940097	486978986	/nfs/dbraw/zinc/97/89/86/486978986.db2.gz	SHUVYJIQXFSJIC-POYBYMJQSA-N	1	0	186.255	-0.125	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1	161010863	486979056	/nfs/dbraw/zinc/97/90/56/486979056.db2.gz	OFADCCHEUJNKSW-XPUUQOCRSA-N	1	0	186.255	-0.125	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@H]([NH3+])C1CC1	161011001	486979067	/nfs/dbraw/zinc/97/90/67/486979067.db2.gz	OFADCCHEUJNKSW-SVRRBLITSA-N	1	0	186.255	-0.125	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@H]1CCC[NH2+]1	160928439	486979088	/nfs/dbraw/zinc/97/90/88/486979088.db2.gz	KVUKAYNOHHYWQX-HTQZYQBOSA-N	1	0	186.255	-0.111	20	70		ABIDRO
CO[C@H](C)C(=O)NC[C@@H](C)C[NH3+]	160969313	486979100	/nfs/dbraw/zinc/97/91/00/486979100.db2.gz	MDJNXOBXYAYYJZ-NKWVEPMBSA-N	1	0	174.244	-0.268	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@@H](C)C[NH3+]	160969595	486979117	/nfs/dbraw/zinc/97/91/17/486979117.db2.gz	MDJNXOBXYAYYJZ-BQBZGAKWSA-N	1	0	174.244	-0.268	20	70		ABIDRO
C[NH2+]CCCNC(=O)[C@@H](C)OC	160919639	486979122	/nfs/dbraw/zinc/97/91/22/486979122.db2.gz	QHQALFWKDFWPNJ-SSDOTTSWSA-N	1	0	174.244	-0.253	20	70		ABIDRO
CO[C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1	161011141	486979178	/nfs/dbraw/zinc/97/91/78/486979178.db2.gz	OFADCCHEUJNKSW-POYBYMJQSA-N	1	0	186.255	-0.125	20	70		ABIDRO
CCC[C@H](O)C[NH2+]C[C@@H](O)COC	217905780	487027949	/nfs/dbraw/zinc/02/79/49/487027949.db2.gz	LHPLPAJQFXPVRN-DTWKUNHWSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@@H](O)CNC(=O)[C@H](C)C[NH3+]	217960899	487027958	/nfs/dbraw/zinc/02/79/58/487027958.db2.gz	NRYABPPKSQZNDO-HTQZYQBOSA-N	1	0	188.271	-0.142	20	70		ABIDRO
CC[C@@H](CCO)[NH2+]C[C@@H](O)COC	217843826	487028008	/nfs/dbraw/zinc/02/80/08/487028008.db2.gz	OWEIMKUGSRSTMH-DTWKUNHWSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@H](O)C[NH2+]C[C@H](O)COC	217905928	487028025	/nfs/dbraw/zinc/02/80/25/487028025.db2.gz	LHPLPAJQFXPVRN-IUCAKERBSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CC[C@H](CCO)[NH2+]C[C@@H](O)COC	217843897	487028287	/nfs/dbraw/zinc/02/82/87/487028287.db2.gz	OWEIMKUGSRSTMH-RKDXNWHRSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CC[C@@H](CCO)[NH2+]C[C@H](O)COC	217843958	487028294	/nfs/dbraw/zinc/02/82/94/487028294.db2.gz	OWEIMKUGSRSTMH-IUCAKERBSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@@H](O)C[NH2+]C[C@@H](O)COC	217905714	487028377	/nfs/dbraw/zinc/02/83/77/487028377.db2.gz	LHPLPAJQFXPVRN-RKDXNWHRSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@@H](O)CNC(=O)[C@@H](C)C[NH3+]	217960734	487028382	/nfs/dbraw/zinc/02/83/82/487028382.db2.gz	NRYABPPKSQZNDO-JGVFFNPUSA-N	1	0	188.271	-0.142	20	70		ABIDRO
CC[C@H](CCO)[NH2+]C[C@H](O)COC	217844077	487028395	/nfs/dbraw/zinc/02/83/95/487028395.db2.gz	OWEIMKUGSRSTMH-BDAKNGLRSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@H](O)CNC(=O)[C@@H](C)C[NH3+]	217960815	487028435	/nfs/dbraw/zinc/02/84/35/487028435.db2.gz	NRYABPPKSQZNDO-YUMQZZPRSA-N	1	0	188.271	-0.142	20	70		ABIDRO
CCC[C@@H](O)C[NH2+]C[C@H](O)COC	217905862	487028438	/nfs/dbraw/zinc/02/84/38/487028438.db2.gz	LHPLPAJQFXPVRN-BDAKNGLRSA-N	1	0	191.271	-0.256	20	70		ABIDRO
CCC[C@H](O)CNC(=O)[C@H](C)[NH2+]C	217962811	487028767	/nfs/dbraw/zinc/02/87/67/487028767.db2.gz	OBEUYQHGCMGWLH-YUMQZZPRSA-N	1	0	188.271	-0.129	20	70		ABIDRO
CCC[C@@H](O)CNC(=O)CC[NH2+]C	217963707	487028872	/nfs/dbraw/zinc/02/88/72/487028872.db2.gz	TZRDPLMEOJAIRJ-MRVPVSSYSA-N	1	0	188.271	-0.127	20	70		ABIDRO
CCC[C@@H](O)CNC(=O)[C@H](C)[NH2+]C	217962720	487029018	/nfs/dbraw/zinc/02/90/18/487029018.db2.gz	OBEUYQHGCMGWLH-JGVFFNPUSA-N	1	0	188.271	-0.129	20	70		ABIDRO
CCC[C@H](O)CNC(=O)CC[NH2+]C	217963787	487029032	/nfs/dbraw/zinc/02/90/32/487029032.db2.gz	TZRDPLMEOJAIRJ-QMMMGPOBSA-N	1	0	188.271	-0.127	20	70		ABIDRO
CCC[C@H](O)CNC(=O)[C@H](C)C[NH3+]	217960972	487029138	/nfs/dbraw/zinc/02/91/38/487029138.db2.gz	NRYABPPKSQZNDO-SFYZADRCSA-N	1	0	188.271	-0.142	20	70		ABIDRO