smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1C(F)(F)F	ZINC000237832791	205685238	/nfs/dbraw/zinc/68/52/38/205685238.db2.gz	KYHJSFUMNNVCMV-UHFFFAOYSA-N	1	0	376.404	1.151	50	30		GDEARO
COc1ccc(CNC(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)cc1	ZINC000065403747	136163810	/nfs/dbraw/zinc/16/38/10/136163810.db2.gz	OSDVFMLKKOJYEG-UHFFFAOYSA-N	1	0	379.464	1.790	50	30		GDEARO
C=CCNC(=O)N1CCO[C@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)cc2)C1	ZINC000034692287	518905183	/nfs/dbraw/zinc/90/51/83/518905183.db2.gz	QQQVBOYHDKYBEY-LJQANCHMSA-N	1	0	388.512	1.595	50	30		GDEARO
C=CCn1c2ccccc2n(CCC(=O)NCCC[NH+]2CCCCC2)c(=O)c1=O	ZINC000033272468	519264824	/nfs/dbraw/zinc/26/48/24/519264824.db2.gz	ZWPDKKBOMUFNAK-UHFFFAOYSA-N	1	0	398.507	1.732	50	30		GDEARO
COC(=O)c1c(NC(=O)C[n+]2cccc(C(N)=O)c2)sc2c1CCCCC2	ZINC000013135255	521766364	/nfs/dbraw/zinc/76/63/64/521766364.db2.gz	KDANNIYASFQLIJ-UHFFFAOYSA-O	1	0	388.469	1.829	50	30		GDEARO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C#N)CC3)c2)C1	ZINC000215291554	570286817	/nfs/dbraw/zinc/28/68/17/570286817.db2.gz	MHDODOIHZBSMPZ-KRWDZBQOSA-N	1	0	390.509	1.387	50	30		GDEARO
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000575415583	570306221	/nfs/dbraw/zinc/30/62/21/570306221.db2.gz	BCZYUFQEVFDCQW-INIZCTEOSA-N	1	0	390.871	1.767	50	30		GDEARO
C[O+]=NN(O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C	ZINC000225300414	570374936	/nfs/dbraw/zinc/37/49/36/570374936.db2.gz	CCIXFMWGRGHFBO-QGZVFWFLSA-N	1	0	399.493	1.615	50	30		GDEARO
O=C(Cn1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1)c1ccc([N+](=O)[O-])cc1	ZINC000012466702	570671691	/nfs/dbraw/zinc/67/16/91/570671691.db2.gz	GBCLNYJKUNANCX-UHFFFAOYSA-N	1	0	396.339	1.753	50	30		GDEARO
O=C(c1cccs1)C(C(=S)NCCN1CCOCC1)[n+]1ccccc1	ZINC000003378127	644196223	/nfs/dbraw/zinc/19/62/23/644196223.db2.gz	UAWGDVJHSPNHRV-UHFFFAOYSA-O	1	0	376.527	1.896	50	30		GDEARO
Cc1[nH]c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cc1C#N	ZINC000426552082	533611284	/nfs/dbraw/zinc/61/12/84/533611284.db2.gz	WVEUNGAXIXQBRN-MRXNPFEDSA-N	1	0	383.500	1.535	50	30		GDEARO
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(C)(=O)=O)c1	ZINC000033033128	518768550	/nfs/dbraw/zinc/76/85/50/518768550.db2.gz	ZDWMSCFAAULPGX-UHFFFAOYSA-N	1	0	378.498	1.282	50	30		GDEARO
CC1=C(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)Cn2ncnc2N1C	ZINC000170597760	570856163	/nfs/dbraw/zinc/85/61/63/570856163.db2.gz	WZNFSCVOGMTIEB-UHFFFAOYSA-N	1	0	391.479	1.608	50	30		GDEARO
CC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1	ZINC000082051259	205079629	/nfs/dbraw/zinc/07/96/29/205079629.db2.gz	DWCCFNDVHQOIKI-WHHPXKAQSA-N	1	0	376.497	1.678	50	30	biogenic	GDEARO
CC(C)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CC[NH2+]CC2	ZINC000067771690	205258405	/nfs/dbraw/zinc/25/84/05/205258405.db2.gz	RHPLAWXTMVNWLN-MRXNPFEDSA-N	1	0	388.497	1.361	50	30		GDEARO
COC(=O)c1ccc(S(=O)(=O)NCC#CC[N@H+](C)Cc2ccccc2)cc1	ZINC000090590670	522152785	/nfs/dbraw/zinc/15/27/85/522152785.db2.gz	JDSNSMMMPTUODM-UHFFFAOYSA-N	1	0	386.473	1.887	50	30		GDEARO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C#N)CC3)c2)C1	ZINC000215291512	570286741	/nfs/dbraw/zinc/28/67/41/570286741.db2.gz	MHDODOIHZBSMPZ-QGZVFWFLSA-N	1	0	390.509	1.387	50	30		GDEARO
C[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)cn2)CC1	ZINC000170617141	570876006	/nfs/dbraw/zinc/87/60/06/570876006.db2.gz	WJBWNHDNYKLFJA-UHFFFAOYSA-N	1	0	382.399	1.421	50	30		GDEARO
COC(=O)CSc1nc(N2CC[NH2+]CC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000008990255	204295853	/nfs/dbraw/zinc/29/58/53/204295853.db2.gz	INJCMADADWXLMZ-UHFFFAOYSA-N	1	0	376.482	1.479	50	30		GDEARO
CC(C)CCNC(=O)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000039933381	205044354	/nfs/dbraw/zinc/04/43/54/205044354.db2.gz	XSKOEZTWYQEBBR-UHFFFAOYSA-N	1	0	385.512	1.938	50	30		GDEARO
N#Cc1ccccc1CN1C(=O)N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C1=O	ZINC000067675707	205254044	/nfs/dbraw/zinc/25/40/44/205254044.db2.gz	BHNQIWDXKKQSLR-OAQYLSRUSA-N	1	0	375.432	1.900	50	30		GDEARO
CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000225769407	206074280	/nfs/dbraw/zinc/07/42/80/206074280.db2.gz	QLGVTJZUWUWIIZ-IBGZPJMESA-N	1	0	376.526	1.347	50	30		GDEARO
N#Cc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1	ZINC000015864113	570279871	/nfs/dbraw/zinc/27/98/71/570279871.db2.gz	FBDWVJNPLDUPHZ-UHFFFAOYSA-N	1	0	380.423	1.772	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccnc1	ZINC000013688978	570668714	/nfs/dbraw/zinc/66/87/14/570668714.db2.gz	JKDMADNJKTZZDR-KRWDZBQOSA-N	1	0	383.452	1.572	50	30		GDEARO
C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C[NH+]3CCCCC3)CC2)c1	ZINC000095520817	570996103	/nfs/dbraw/zinc/99/61/03/570996103.db2.gz	SEEMLPWNXNJPGA-UHFFFAOYSA-N	1	0	377.510	1.899	50	30		GDEARO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000009512766	203862531	/nfs/dbraw/zinc/86/25/31/203862531.db2.gz	WMKYIPSIDLIBOP-CZUORRHYSA-N	1	0	375.450	1.296	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000103012686	518273708	/nfs/dbraw/zinc/27/37/08/518273708.db2.gz	LYOAONQUUIWJHU-QTHROWRDSA-N	1	0	399.450	1.655	50	30		GDEARO
C#CCNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000054211477	518275605	/nfs/dbraw/zinc/27/56/05/518275605.db2.gz	JMOYHDOOLVYJIZ-LBPRGKRZSA-N	1	0	379.258	1.244	50	30		GDEARO
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000426433605	534689259	/nfs/dbraw/zinc/68/92/59/534689259.db2.gz	ILSGWJXNSIJQJA-LJQANCHMSA-N	1	0	380.496	1.899	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)c(C)n1	ZINC000013682789	534725185	/nfs/dbraw/zinc/72/51/85/534725185.db2.gz	WJWZVRKHAKPCHZ-KRWDZBQOSA-N	1	0	381.436	1.628	50	30		GDEARO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000170599783	570857855	/nfs/dbraw/zinc/85/78/55/570857855.db2.gz	CTQBFVVJAWHUGF-GOSISDBHSA-N	1	0	385.512	1.225	50	30		GDEARO
C=CCn1c(C)c(C)n2c3c(nc12)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O	ZINC000004314392	571042415	/nfs/dbraw/zinc/04/24/15/571042415.db2.gz	JIYNYYOEZRUZLJ-UHFFFAOYSA-N	1	0	384.484	1.438	50	30		GDEARO
N#Cc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cn1	ZINC000426428930	231220725	/nfs/dbraw/zinc/22/07/25/231220725.db2.gz	SMNZWVQCPBEDAQ-SFHVURJKSA-N	1	0	377.448	1.547	50	30		GDEARO
N#Cc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1	ZINC000241132890	206125762	/nfs/dbraw/zinc/12/57/62/206125762.db2.gz	JMWPESKMIBKOMM-CYBMUJFWSA-N	1	0	396.822	1.326	50	30		GDEARO
C=CCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056952527	206209966	/nfs/dbraw/zinc/20/99/66/206209966.db2.gz	QEPRQGLHMNBFED-UHFFFAOYSA-N	1	0	394.479	1.240	50	30		GDEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC(C)C)co2)CC1	ZINC000034677440	518719063	/nfs/dbraw/zinc/71/90/63/518719063.db2.gz	XHSBLMDHBJZFAI-QGZVFWFLSA-N	1	0	378.517	1.895	50	30		GDEARO
COc1ccc(C2CC(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)C2)cc1OC	ZINC000100138937	523882519	/nfs/dbraw/zinc/88/25/19/523882519.db2.gz	HCVWQGSVMAEZOV-UHFFFAOYSA-N	1	0	387.480	1.098	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1	ZINC000102736041	526482440	/nfs/dbraw/zinc/48/24/40/526482440.db2.gz	ORUSGRVUQCFYDA-HVESIFNPSA-N	1	0	383.452	1.795	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1	ZINC000102741767	526483754	/nfs/dbraw/zinc/48/37/54/526483754.db2.gz	DYPBLOJFYAIWCM-HVESIFNPSA-N	1	0	383.452	1.795	50	30		GDEARO
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1N=NC1C[NH+]2CCC1CC2	ZINC000004663726	527362592	/nfs/dbraw/zinc/36/25/92/527362592.db2.gz	CLTLMDNFZLYZRT-DYTRJAOYSA-N	1	0	388.472	1.203	50	30		GDEARO
C[NH+](C)CCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N	ZINC000012421171	570672230	/nfs/dbraw/zinc/67/22/30/570672230.db2.gz	QZULPRCVQKBEGC-UHFFFAOYSA-N	1	0	389.481	1.971	50	30		GDEARO
Cc1[nH]c(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1C#N	ZINC000426552081	533611710	/nfs/dbraw/zinc/61/17/10/533611710.db2.gz	WVEUNGAXIXQBRN-INIZCTEOSA-N	1	0	383.500	1.535	50	30		GDEARO
N#CC1(NC(=O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)CCCCC1	ZINC000048303208	570231457	/nfs/dbraw/zinc/23/14/57/570231457.db2.gz	BIPVAEHDJZIALV-UHFFFAOYSA-N	1	0	390.450	1.916	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)c(C)n1	ZINC000013682793	570668236	/nfs/dbraw/zinc/66/82/36/570668236.db2.gz	WJWZVRKHAKPCHZ-QGZVFWFLSA-N	1	0	381.436	1.628	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC000071775980	205297583	/nfs/dbraw/zinc/29/75/83/205297583.db2.gz	GGHKRPAONQIPAF-IBGZPJMESA-N	1	0	398.507	1.637	50	30		GDEARO
CCc1cc(CN(C)C(=O)[C@@H]2C[C@@H](NC(=O)c3cccc(C#N)c3)C[NH2+]2)on1	ZINC000067847826	222162701	/nfs/dbraw/zinc/16/27/01/222162701.db2.gz	GLYFVIGOMFYXIS-AEFFLSMTSA-N	1	0	381.436	1.228	50	30		GDEARO
C=CCN1CC[NH+](C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1	ZINC000067755382	518866118	/nfs/dbraw/zinc/86/61/18/518866118.db2.gz	CBQPXYHPNOSZBE-OAQYLSRUSA-N	1	0	391.487	1.491	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000102741768	526482310	/nfs/dbraw/zinc/48/23/10/526482310.db2.gz	DYPBLOJFYAIWCM-GROYHEBESA-N	1	0	383.452	1.795	50	30		GDEARO
C=CCn1c(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC[NH2+]CC1	ZINC000426712540	527336092	/nfs/dbraw/zinc/33/60/92/527336092.db2.gz	AGPKUXRFAPRSBO-OKILXGFUSA-N	1	0	379.530	1.659	50	30		GDEARO
CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C#N)cc1	ZINC000045966857	205100382	/nfs/dbraw/zinc/10/03/82/205100382.db2.gz	MQWRNLKHYSTDHV-UHFFFAOYSA-N	1	0	386.496	1.637	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC000071750335	205289789	/nfs/dbraw/zinc/28/97/89/205289789.db2.gz	GSMSBWONEYOELC-SFHVURJKSA-N	1	0	398.507	1.637	50	30		GDEARO
Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1	ZINC000071764393	136166432	/nfs/dbraw/zinc/16/64/32/136166432.db2.gz	AOPJROJQDQXQAP-IBGZPJMESA-N	1	0	397.523	1.801	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1	ZINC000013728819	527605811	/nfs/dbraw/zinc/60/58/11/527605811.db2.gz	MYLVKYKSEDWSKZ-SFHVURJKSA-N	1	0	397.479	1.962	50	30		GDEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@@H](C)CC)co2)CC1	ZINC000034677395	518728825	/nfs/dbraw/zinc/72/88/25/518728825.db2.gz	ADLQINYLAWHMGA-IRXDYDNUSA-N	1	0	378.517	1.895	50	30		GDEARO
C=CCN1CC[C@@]2(CN(C(=O)c3cnn4ccccc34)CC[N@H+]2C)CCC1=O	ZINC000095388467	518867934	/nfs/dbraw/zinc/86/79/34/518867934.db2.gz	GOIAKZXWQYTDQV-OAQYLSRUSA-N	1	0	381.480	1.659	50	30		GDEARO
C=CCN1CCN(CC2=NC(=O)N[C@H](c3ccc(C)cc3)C2C(=O)OCC)CC1	ZINC000051318521	570910845	/nfs/dbraw/zinc/91/08/45/570910845.db2.gz	BIYZGFSZMFIIII-HXUWFJFHSA-N	1	0	398.507	1.970	50	30		GDEARO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000068350509	205272180	/nfs/dbraw/zinc/27/21/80/205272180.db2.gz	LCUKLEAYORASRW-UHFFFAOYSA-N	1	0	386.477	1.410	50	30		GDEARO
CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4cccc(C#N)n4)CC3)C2)CC1	ZINC000071753069	205291706	/nfs/dbraw/zinc/29/17/06/205291706.db2.gz	PBVLWDKIMFGYCA-GOSISDBHSA-N	1	0	396.539	1.408	50	30		GDEARO
N#Cc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1	ZINC000071764725	136166294	/nfs/dbraw/zinc/16/62/94/136166294.db2.gz	RKEGXQAUBKAAOL-SFHVURJKSA-N	1	0	383.496	1.493	50	30		GDEARO
C=CCCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1	ZINC000012202603	570235410	/nfs/dbraw/zinc/23/54/10/570235410.db2.gz	TUIAOJVZBXNQAA-INIZCTEOSA-N	1	0	390.532	1.394	50	30		GDEARO
O=C(C[n+]1ccc(C(=O)NCCCO)cc1)c1cccc(Br)c1	ZINC000001894123	530531749	/nfs/dbraw/zinc/53/17/49/530531749.db2.gz	YVWSQHKHKXJVLY-UHFFFAOYSA-O	1	0	378.246	1.732	50	30		GDEARO
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1c(C)c(C#N)c2ccccc21	ZINC000067770588	205259196	/nfs/dbraw/zinc/25/91/96/205259196.db2.gz	QEVKKNHZOINOFU-KXBFYZLASA-N	1	0	381.480	1.618	50	30		GDEARO
COc1nccc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1C#N	ZINC000071498026	205285355	/nfs/dbraw/zinc/28/53/55/205285355.db2.gz	NKFZXRKMCWJRFQ-HNNXBMFYSA-N	1	0	383.496	1.921	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)c(C)n1	ZINC000020713849	527223467	/nfs/dbraw/zinc/22/34/67/527223467.db2.gz	IMWFORVQGDBOAF-QGZVFWFLSA-N	1	0	381.436	1.628	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000013693218	527605463	/nfs/dbraw/zinc/60/54/63/527605463.db2.gz	YGFWGMLQUSUJKM-QGZVFWFLSA-N	1	0	383.452	1.572	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000067540504	205248322	/nfs/dbraw/zinc/24/83/22/205248322.db2.gz	FPMRLVKUAAZRHX-HXUWFJFHSA-N	1	0	384.524	1.997	50	30		GDEARO
N#Cc1ccnc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1	ZINC000299786944	206190461	/nfs/dbraw/zinc/19/04/61/206190461.db2.gz	YGRWFKVIUSNCGH-LJQANCHMSA-N	1	0	383.496	1.715	50	30		GDEARO
N#Cc1cccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1	ZINC000071774421	136166666	/nfs/dbraw/zinc/16/66/66/136166666.db2.gz	KIIQDLSPYIMWKH-SFHVURJKSA-N	1	0	383.496	1.493	50	30		GDEARO
CC[NH+]1CCN(C2=NC3(CC[NH+](Cc4ccccc4)CC3)C(C#N)=C([O-])N2)CC1	ZINC000020673346	521672453	/nfs/dbraw/zinc/67/24/53/521672453.db2.gz	GUCASFRTKWGJJR-IBGZPJMESA-N	1	0	394.523	1.284	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1	ZINC000102741614	527601797	/nfs/dbraw/zinc/60/17/97/527601797.db2.gz	BQIBJORPIVWGSP-GHNGSUTGSA-N	1	0	397.479	1.805	50	30		GDEARO
C=CCN1CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1	ZINC000067588609	570471284	/nfs/dbraw/zinc/47/12/84/570471284.db2.gz	KEPKQJKYDZAJAC-UHFFFAOYSA-N	1	0	399.539	1.326	50	30		GDEARO
CN(CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000083857465	570972454	/nfs/dbraw/zinc/97/24/54/570972454.db2.gz	MRNNXNMTZQXHFG-QGZVFWFLSA-N	1	0	390.509	1.266	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1	ZINC000102752545	526483946	/nfs/dbraw/zinc/48/39/46/526483946.db2.gz	LPGVJJZSJADNTG-HVESIFNPSA-N	1	0	383.452	1.795	50	30		GDEARO
N#CC1(c2ccccc2)CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1	ZINC000065423391	570767942	/nfs/dbraw/zinc/76/79/42/570767942.db2.gz	IENLRLVFTQRQQU-QGZVFWFLSA-N	1	0	378.480	1.975	50	30		GDEARO
N#Cc1ccc(C(=O)N[C@H]2C[NH2+][C@H](C(=O)NCCCc3ccccc3)C2)cc1	ZINC000067713851	205256480	/nfs/dbraw/zinc/25/64/80/205256480.db2.gz	JFNXUJSRRZOJFR-UXHICEINSA-N	1	0	376.460	1.768	50	30		GDEARO
O=C(CCC1CCN(C(=O)CN2CC(=O)[O+]=N2)CC1)N1CCc2ccccc2C1	ZINC000012718931	526407858	/nfs/dbraw/zinc/40/78/58/526407858.db2.gz	IURSRTLMWQFMFS-UHFFFAOYSA-O	1	0	399.471	1.271	50	30		GDEARO
Cc1nn(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-]	ZINC000047010628	205107762	/nfs/dbraw/zinc/10/77/62/205107762.db2.gz	PPTVTZXMIJCPBQ-UHFFFAOYSA-N	1	0	384.440	1.870	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(C#N)c3)CC2)C1	ZINC000071748132	205289579	/nfs/dbraw/zinc/28/95/79/205289579.db2.gz	YMVZTJSZVHEVIB-IBGZPJMESA-N	1	0	398.507	1.637	50	30		GDEARO
N#Cc1cccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1	ZINC000426396683	534799512	/nfs/dbraw/zinc/79/95/12/534799512.db2.gz	WAKYKSBGEXLRCE-QGZVFWFLSA-N	1	0	377.448	1.547	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)c(C)n1	ZINC000020713845	527223841	/nfs/dbraw/zinc/22/38/41/527223841.db2.gz	IMWFORVQGDBOAF-KRWDZBQOSA-N	1	0	381.436	1.628	50	30		GDEARO
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCN1CC[NH2+]CC1	ZINC000096465742	521324369	/nfs/dbraw/zinc/32/43/69/521324369.db2.gz	VEWADROTKVSJQB-KGENOOAVSA-N	1	0	386.456	1.350	50	30		GDEARO
COc1ccc(C(=[NH2+])NOC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1	ZINC000005047695	523367095	/nfs/dbraw/zinc/36/70/95/523367095.db2.gz	DQRTXMJEROQZKO-UHFFFAOYSA-N	1	0	377.422	1.179	50	30		GDEARO
CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4ncccc4C#N)CC3)C2)CC1	ZINC000071753350	570282779	/nfs/dbraw/zinc/28/27/79/570282779.db2.gz	HQUBVWRDLRPFNT-LJQANCHMSA-N	1	0	396.539	1.408	50	30		GDEARO
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000011843925	570588189	/nfs/dbraw/zinc/58/81/89/570588189.db2.gz	KGFPXINCPNBQAQ-LJQANCHMSA-O	1	0	392.407	1.221	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000013688981	570668559	/nfs/dbraw/zinc/66/85/59/570668559.db2.gz	JKDMADNJKTZZDR-QGZVFWFLSA-N	1	0	383.452	1.572	50	30		GDEARO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000229629896	570714967	/nfs/dbraw/zinc/71/49/67/570714967.db2.gz	VGDVIJMZEXDXDX-CVEARBPZSA-N	1	0	377.510	1.448	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc(C)ccc3C#N)CC2)C1	ZINC000071765140	136166564	/nfs/dbraw/zinc/16/65/64/136166564.db2.gz	SLPMPLAUINTROX-SFHVURJKSA-N	1	0	385.512	1.705	50	30		GDEARO
C#CCNS(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000040024680	518287366	/nfs/dbraw/zinc/28/73/66/518287366.db2.gz	KLONKPWAFDJWQE-UHFFFAOYSA-N	1	0	377.510	1.637	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c(C)n1	ZINC000102739100	527219308	/nfs/dbraw/zinc/21/93/08/527219308.db2.gz	GSWZCBVBFUVVSF-SELCWUDQSA-N	1	0	395.463	1.862	50	30		GDEARO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(OC)c1	ZINC000014200939	206246851	/nfs/dbraw/zinc/24/68/51/206246851.db2.gz	RAUARYDAYQWJLB-GOSISDBHSA-N	1	0	376.497	1.964	50	30		GDEARO
N#Cc1cccnc1N1CCN(c2ncnc3sc4c(c32)CC[NH2+]C4)CC1	ZINC000065408346	136163788	/nfs/dbraw/zinc/16/37/88/136163788.db2.gz	HIXFMXCIOGZCOJ-UHFFFAOYSA-N	1	0	377.477	1.930	50	30		GDEARO
COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC(C#N)CC3)C2=O)c1	ZINC000067856433	524273534	/nfs/dbraw/zinc/27/35/34/524273534.db2.gz	AAQHGNBWKGJQDL-HXUWFJFHSA-N	1	0	375.444	1.923	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c(C)n1	ZINC000102747959	527218264	/nfs/dbraw/zinc/21/82/64/527218264.db2.gz	PVNGIQMFXWJCRO-SELCWUDQSA-N	1	0	395.463	1.862	50	30		GDEARO
CCOC(=O)[C@@]1(CC)C[C@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	ZINC000001782779	530531742	/nfs/dbraw/zinc/53/17/42/530531742.db2.gz	NUYOWYQYJOZWTG-IAGOWNOFSA-N	1	0	399.261	1.971	50	30		GDEARO
N#Cc1ccccc1N1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC1	ZINC000084497794	208092298	/nfs/dbraw/zinc/09/22/98/208092298.db2.gz	MYPFPUTVWSTWJN-UHFFFAOYSA-N	1	0	381.480	1.935	50	30		GDEARO
COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C#N)cn2C)CC1	ZINC000096160897	208277816	/nfs/dbraw/zinc/27/78/16/208277816.db2.gz	FJFIGYXLTQTWFO-IBGZPJMESA-N	1	0	388.512	1.876	50	30		GDEARO
C#CCNC(=O)[C@@H](C)[N@H+](CCN1CCN(c2cccc(C)c2)CC1)CC1CC1	ZINC000095456041	518282325	/nfs/dbraw/zinc/28/23/25/518282325.db2.gz	STLNEUZLVWQQGM-HXUWFJFHSA-N	1	0	382.552	1.967	50	30		GDEARO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000055403586	518288547	/nfs/dbraw/zinc/28/85/47/518288547.db2.gz	VGDVIJMZEXDXDX-HZPDHXFCSA-N	1	0	377.510	1.448	50	30		GDEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCN(CC)CC)C2	ZINC000097361863	519290038	/nfs/dbraw/zinc/29/00/38/519290038.db2.gz	YWXPQYFFLWMBBW-KRWDZBQOSA-N	1	0	389.544	1.330	50	30		GDEARO
C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2cc(C#CCO)cs2)C[C@H]1O	ZINC000012448750	570237725	/nfs/dbraw/zinc/23/77/25/570237725.db2.gz	PWSRBFHSTNQKBB-NHCUHLMSSA-N	1	0	385.533	1.597	50	30		GDEARO
N#CCCN(CCN1CCOCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000225678424	570602075	/nfs/dbraw/zinc/60/20/75/570602075.db2.gz	BWAGMYHJAOEORZ-JOCHJYFZSA-N	1	0	386.540	1.825	50	30		GDEARO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CCO)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000022457672	570896589	/nfs/dbraw/zinc/89/65/89/570896589.db2.gz	VWQJVKQHXUQUIJ-KFYPDWBNSA-N	1	0	378.513	1.122	50	30	biogenic	GDEARO
Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000026343912	207313320	/nfs/dbraw/zinc/31/33/20/207313320.db2.gz	URWJXFGNABWUKN-UHFFFAOYSA-N	1	0	390.451	1.386	50	30		GDEARO
CC[NH+]1CCN(C2=NC3(CC[NH+](Cc4ccccc4)CC3)C(C#N)=C([O-])N2)CC1	ZINC000020673344	521672071	/nfs/dbraw/zinc/67/20/71/521672071.db2.gz	GUCASFRTKWGJJR-LJQANCHMSA-N	1	0	394.523	1.284	50	30		GDEARO
N#CCCN(CCN1CCOCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000225678399	570601782	/nfs/dbraw/zinc/60/17/82/570601782.db2.gz	BWAGMYHJAOEORZ-QFIPXVFZSA-N	1	0	386.540	1.825	50	30		GDEARO
C=CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)C1	ZINC000091460061	570983746	/nfs/dbraw/zinc/98/37/46/570983746.db2.gz	MDIWREJBLWFDET-OAHLLOKOSA-N	1	0	377.510	1.755	50	30		GDEARO
COc1nccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C#N	ZINC000071498031	570701255	/nfs/dbraw/zinc/70/12/55/570701255.db2.gz	NKFZXRKMCWJRFQ-OAHLLOKOSA-N	1	0	383.496	1.921	50	30		GDEARO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1	ZINC000071770932	136166493	/nfs/dbraw/zinc/16/64/93/136166493.db2.gz	XXRQFQRDFFYFQW-SFHVURJKSA-N	1	0	383.496	1.493	50	30		GDEARO
C#Cc1cccc(NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000095455037	518360779	/nfs/dbraw/zinc/36/07/79/518360779.db2.gz	SZCNVBKNLRRJPT-OAQYLSRUSA-N	1	0	390.487	1.711	50	30		GDEARO
O=C(C1=C(O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000020528618	526267964	/nfs/dbraw/zinc/26/79/64/526267964.db2.gz	XQUOWZQTXBFCDE-SFHVURJKSA-N	1	0	384.407	1.986	50	30		GDEARO
O=C(C1=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000020528620	526268132	/nfs/dbraw/zinc/26/81/32/526268132.db2.gz	XQUOWZQTXBFCDE-GOSISDBHSA-N	1	0	384.407	1.986	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1	ZINC000013732681	526483925	/nfs/dbraw/zinc/48/39/25/526483925.db2.gz	DFOJJSZRRHQFCU-KRWDZBQOSA-N	1	0	383.452	1.952	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C1	ZINC000071750543	570282694	/nfs/dbraw/zinc/28/26/94/570282694.db2.gz	HYZKJQSHEIPEBO-QGZVFWFLSA-N	1	0	399.495	1.032	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(=O)c1=O	ZINC000033268733	570893509	/nfs/dbraw/zinc/89/35/09/570893509.db2.gz	OFRFUVZAWWINQD-KRWDZBQOSA-N	1	0	398.507	1.730	50	30		GDEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCN(CCO)CCO)[C@H]3C[C@H]12	ZINC000012661587	518661839	/nfs/dbraw/zinc/66/18/39/518661839.db2.gz	DOJQRTNIJIYKHS-AIYVTKCESA-N	1	0	394.556	1.567	50	30	biogenic	GDEARO
C=CCC[C@@H](C[N@H+](C)C1CCN(C)CC1)Oc1cncc(C(=O)N(C)C)n1	ZINC000067868367	518710126	/nfs/dbraw/zinc/71/01/26/518710126.db2.gz	ZNCVKBSUZPCHST-KRWDZBQOSA-N	1	0	375.517	1.918	50	30		GDEARO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH2+]CCO)cc1	ZINC000019848366	525388992	/nfs/dbraw/zinc/38/89/92/525388992.db2.gz	FVOUFSAISAAJDI-IBGZPJMESA-N	1	0	396.443	1.855	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000102752045	527603419	/nfs/dbraw/zinc/60/34/19/527603419.db2.gz	WPHHDELQIBTCBK-GROYHEBESA-N	1	0	383.452	1.415	50	30		GDEARO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1	ZINC000071746949	570280884	/nfs/dbraw/zinc/28/08/84/570280884.db2.gz	KRXYFKQMPHUEIE-SFHVURJKSA-N	1	0	395.507	1.892	50	30		GDEARO
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000575415584	570306163	/nfs/dbraw/zinc/30/61/63/570306163.db2.gz	BCZYUFQEVFDCQW-MRXNPFEDSA-N	1	0	390.871	1.767	50	30		GDEARO
COc1ccc(C(=[NH2+])NOC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	ZINC000012655423	570695944	/nfs/dbraw/zinc/69/59/44/570695944.db2.gz	XNHQYVBPMJDLPG-UHFFFAOYSA-N	1	0	381.388	1.935	50	30		GDEARO
CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCCC[NH+](C)C)o2)cc1	ZINC000036627607	570762274	/nfs/dbraw/zinc/76/22/74/570762274.db2.gz	XCQGNTLNUFYBPS-UHFFFAOYSA-N	1	0	377.470	1.827	50	30		GDEARO
CC(C)(O)C#Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1	ZINC000091650825	570984653	/nfs/dbraw/zinc/98/46/53/570984653.db2.gz	OVAAMMODSIRLQE-IAGOWNOFSA-N	1	0	378.538	1.243	50	30		GDEARO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH2+]CCN3CCOCC3)C(=O)O[C@@H]1C2	ZINC000020112091	208807829	/nfs/dbraw/zinc/80/78/29/208807829.db2.gz	HDKULJYCKVVOPP-OVDOOKCHSA-N	1	0	378.513	1.435	50	30	biogenic	GDEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC(C)C)co2)CC1	ZINC000034677441	518727684	/nfs/dbraw/zinc/72/76/84/518727684.db2.gz	XHSBLMDHBJZFAI-KRWDZBQOSA-N	1	0	378.517	1.895	50	30		GDEARO
C=CCNC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1	ZINC000012304313	518903500	/nfs/dbraw/zinc/90/35/00/518903500.db2.gz	ULQSPPNKUOPEEN-SFHVURJKSA-N	1	0	385.512	1.770	50	30		GDEARO
CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)CN2CC(=O)[O+]=N2)CC1	ZINC000011815370	520465670	/nfs/dbraw/zinc/46/56/70/520465670.db2.gz	FDQVUCOTEMZMTL-UHFFFAOYSA-O	1	0	392.407	1.221	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccncc1	ZINC000102739614	527602492	/nfs/dbraw/zinc/60/24/92/527602492.db2.gz	UEDJCNHKKUMZLT-HVESIFNPSA-N	1	0	383.452	1.415	50	30		GDEARO
CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4ncccc4C#N)CC3)C2)CC1	ZINC000071753351	570282735	/nfs/dbraw/zinc/28/27/35/570282735.db2.gz	HQUBVWRDLRPFNT-IBGZPJMESA-N	1	0	396.539	1.408	50	30		GDEARO
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1	ZINC000012210495	570626686	/nfs/dbraw/zinc/62/66/86/570626686.db2.gz	LQKKNMWOUNKVRQ-LBPRGKRZSA-O	1	0	384.334	1.808	50	30		GDEARO
C[N@@H+]1CC[C@@H](NC(=O)N2CCn3nc(C#N)cc3C2)[C@@H](Cc2ccccc2)C1	ZINC000426658495	529795235	/nfs/dbraw/zinc/79/52/35/529795235.db2.gz	UTTGPRWPLVHFCM-FXAWDEMLSA-N	1	0	378.480	1.843	50	30		GDEARO
COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCC#N	ZINC000023114588	530574111	/nfs/dbraw/zinc/57/41/11/530574111.db2.gz	KPVRZEZNFRJLAN-UHFFFAOYSA-N	1	0	384.274	1.782	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000102752547	526482376	/nfs/dbraw/zinc/48/23/76/526482376.db2.gz	LPGVJJZSJADNTG-GROYHEBESA-N	1	0	383.452	1.795	50	30		GDEARO
C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC	ZINC000008470124	570220952	/nfs/dbraw/zinc/22/09/52/570220952.db2.gz	PUMXKVABJXFXOB-UHFFFAOYSA-N	1	0	381.820	1.398	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000015320009	570247222	/nfs/dbraw/zinc/24/72/22/570247222.db2.gz	LYOAONQUUIWJHU-OKFIXCSWSA-N	1	0	399.450	1.655	50	30		GDEARO
N#Cc1cccnc1-c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000426574708	231242110	/nfs/dbraw/zinc/24/21/10/231242110.db2.gz	KALOULJALPDPRS-GOSISDBHSA-N	1	0	377.448	1.547	50	30		GDEARO
CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000012315390	206883224	/nfs/dbraw/zinc/88/32/24/206883224.db2.gz	DNKHAGIKIAEFJU-FQEVSTJZSA-O	1	0	388.444	1.472	50	30		GDEARO
C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1	ZINC000077517689	136172332	/nfs/dbraw/zinc/17/23/32/136172332.db2.gz	QUJDVYWTQUMWST-SFHVURJKSA-N	1	0	398.511	1.380	50	30		GDEARO
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2cccc(C#N)n2)CC1	ZINC000096180684	136185013	/nfs/dbraw/zinc/18/50/13/136185013.db2.gz	NHFICAMEDPTTHJ-UHFFFAOYSA-N	1	0	380.500	1.213	50	30		GDEARO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]C[C@@H](O)CO)c1=O	ZINC000014991529	518652622	/nfs/dbraw/zinc/65/26/22/518652622.db2.gz	HOQVLMQHUNBIRK-CQSZACIVSA-N	1	0	382.844	1.214	50	30		GDEARO
C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH+]1CCC(O)(C[NH+]3CCCC3)CC1)C2	ZINC000067884277	519289676	/nfs/dbraw/zinc/28/96/76/519289676.db2.gz	NSECPPSPJLKQDR-INIZCTEOSA-N	1	0	388.512	1.547	50	30		GDEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2cccnc2)cc1	ZINC000019826906	523559841	/nfs/dbraw/zinc/55/98/41/523559841.db2.gz	XGSREJNPPALUTJ-GOSISDBHSA-N	1	0	397.431	1.250	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1	ZINC000102751756	527603426	/nfs/dbraw/zinc/60/34/26/527603426.db2.gz	UNVMXOKCLLEVSP-GHNGSUTGSA-N	1	0	397.479	1.805	50	30		GDEARO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000328593625	528166825	/nfs/dbraw/zinc/16/68/25/528166825.db2.gz	PKJOKBWRLSITBQ-CYBMUJFWSA-N	1	0	376.417	1.573	50	30		GDEARO
C=CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)C1	ZINC000091460065	570983695	/nfs/dbraw/zinc/98/36/95/570983695.db2.gz	MDIWREJBLWFDET-HNNXBMFYSA-N	1	0	377.510	1.755	50	30		GDEARO
CS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000024926819	207297507	/nfs/dbraw/zinc/29/75/07/207297507.db2.gz	UTBSIPBLAGZXBR-UHFFFAOYSA-N	1	0	396.538	1.451	50	30		GDEARO
Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000096162282	208280263	/nfs/dbraw/zinc/28/02/63/208280263.db2.gz	JDOLISZLBFKFGU-UHFFFAOYSA-N	1	0	380.496	1.899	50	30		GDEARO
N#Cc1cccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1	ZINC000071764982	136166510	/nfs/dbraw/zinc/16/65/10/136166510.db2.gz	QLPYPKZASVNMSK-QGZVFWFLSA-N	1	0	383.496	1.493	50	30		GDEARO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000055403590	518289614	/nfs/dbraw/zinc/28/96/14/518289614.db2.gz	VGDVIJMZEXDXDX-JKSUJKDBSA-N	1	0	377.510	1.448	50	30		GDEARO
COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC(C#N)CC3)C2=O)c1	ZINC000067856432	524272390	/nfs/dbraw/zinc/27/23/90/524272390.db2.gz	AAQHGNBWKGJQDL-FQEVSTJZSA-N	1	0	375.444	1.923	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3C#N)CC2)C1	ZINC000071750334	570282821	/nfs/dbraw/zinc/28/28/21/570282821.db2.gz	GSMSBWONEYOELC-GOSISDBHSA-N	1	0	398.507	1.637	50	30		GDEARO
CN(CCC#N)C(=O)CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000089340309	570446378	/nfs/dbraw/zinc/44/63/78/570446378.db2.gz	XAVFIOZAZPWUPS-UHFFFAOYSA-N	1	0	396.488	1.331	50	30		GDEARO
N#Cc1ccnc(N2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)c1	ZINC000071419263	570695606	/nfs/dbraw/zinc/69/56/06/570695606.db2.gz	AOILNAJMGBRUHA-FGZHOGPDSA-N	1	0	391.519	1.753	50	30		GDEARO
C=CCn1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1	ZINC000095520884	570996261	/nfs/dbraw/zinc/99/62/61/570996261.db2.gz	MURBWLVANTXULC-UHFFFAOYSA-N	1	0	384.484	1.315	50	30		GDEARO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000009512764	206330370	/nfs/dbraw/zinc/33/03/70/206330370.db2.gz	WMKYIPSIDLIBOP-XJKSGUPXSA-N	1	0	375.450	1.296	50	30		GDEARO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1	ZINC000071770934	136166474	/nfs/dbraw/zinc/16/64/74/136166474.db2.gz	XXRQFQRDFFYFQW-GOSISDBHSA-N	1	0	383.496	1.493	50	30		GDEARO
C=CCOC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cn2)CC1	ZINC000034667970	518996455	/nfs/dbraw/zinc/99/64/55/518996455.db2.gz	OLCXXKSSXFLKET-GOSISDBHSA-N	1	0	376.501	1.752	50	30		GDEARO
C=CCn1nc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)c1C	ZINC000095368137	519290761	/nfs/dbraw/zinc/29/07/61/519290761.db2.gz	RFDQXKHEHBDAKR-WOUAJJJCSA-N	1	0	376.545	1.835	50	30		GDEARO
Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000426433603	534688203	/nfs/dbraw/zinc/68/82/03/534688203.db2.gz	ILSGWJXNSIJQJA-IBGZPJMESA-N	1	0	380.496	1.899	50	30		GDEARO
N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1	ZINC000071746950	570280837	/nfs/dbraw/zinc/28/08/37/570280837.db2.gz	KRXYFKQMPHUEIE-GOSISDBHSA-N	1	0	395.507	1.892	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(C#N)c3)CC2)C1	ZINC000071748131	570282703	/nfs/dbraw/zinc/28/27/03/570282703.db2.gz	YMVZTJSZVHEVIB-LJQANCHMSA-N	1	0	398.507	1.637	50	30		GDEARO
COCCC[NH2+]CC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1	ZINC000006760757	570575632	/nfs/dbraw/zinc/57/56/32/570575632.db2.gz	SCLKUCQPMCJDGV-UHFFFAOYSA-N	1	0	399.539	1.840	50	30		GDEARO
COc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(C#N)c2)cc1	ZINC000033032858	570801932	/nfs/dbraw/zinc/80/19/32/570801932.db2.gz	ORGYPVOIMCFJCM-UHFFFAOYSA-N	1	0	392.459	1.641	50	30		GDEARO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CC[N@@H+]2CCCOCC2)CC1	ZINC000170599782	570857883	/nfs/dbraw/zinc/85/78/83/570857883.db2.gz	CTQBFVVJAWHUGF-SFHVURJKSA-N	1	0	385.512	1.225	50	30		GDEARO
C=CCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000012304559	518903299	/nfs/dbraw/zinc/90/32/99/518903299.db2.gz	ADBSCJRXAKLKLS-QGZVFWFLSA-N	1	0	385.512	1.770	50	30		GDEARO
CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2cc(Cl)ccc2OC)n1	ZINC000019939718	520903743	/nfs/dbraw/zinc/90/37/43/520903743.db2.gz	PCFOAZURYRWOMV-UHFFFAOYSA-N	1	0	379.804	1.596	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccnc1	ZINC000102752043	527603625	/nfs/dbraw/zinc/60/36/25/527603625.db2.gz	WPHHDELQIBTCBK-HVESIFNPSA-N	1	0	383.452	1.415	50	30		GDEARO
CCOC(=O)[C@]1(CC)C[C@@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	ZINC000001782781	528112570	/nfs/dbraw/zinc/11/25/70/528112570.db2.gz	NUYOWYQYJOZWTG-IRXDYDNUSA-N	1	0	399.261	1.971	50	30		GDEARO
C=CCOc1ccc(CN(C)CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)cc1	ZINC000016592423	570249654	/nfs/dbraw/zinc/24/96/54/570249654.db2.gz	BGTCLXSDGZOGBZ-UHFFFAOYSA-N	1	0	386.452	1.408	50	30		GDEARO
C=CCN1CC[C@]2(CN(CC(=O)NC3CCCCC3)CC[N@H+]2C)CCC1=O	ZINC000091695138	570984774	/nfs/dbraw/zinc/98/47/74/570984774.db2.gz	VLJBBXRIDOXULH-NRFANRHFSA-N	1	0	376.545	1.620	50	30		GDEARO
N#Cc1cccnc1-c1ccc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000426574709	231242405	/nfs/dbraw/zinc/24/24/05/231242405.db2.gz	KALOULJALPDPRS-SFHVURJKSA-N	1	0	377.448	1.547	50	30		GDEARO
Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1	ZINC000071764394	136166391	/nfs/dbraw/zinc/16/63/91/136166391.db2.gz	AOPJROJQDQXQAP-LJQANCHMSA-N	1	0	397.523	1.801	50	30		GDEARO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000237803669	136192370	/nfs/dbraw/zinc/19/23/70/136192370.db2.gz	ZYVDYSRKRCWLAB-UHFFFAOYSA-N	1	0	395.511	1.590	50	30		GDEARO
C=CCNC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21	ZINC000019939275	518932776	/nfs/dbraw/zinc/93/27/76/518932776.db2.gz	FIVZMCHVULGKAD-UHFFFAOYSA-N	1	0	394.479	1.805	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000102754766	527602862	/nfs/dbraw/zinc/60/28/62/527602862.db2.gz	PQSCTQVNSIEYAT-GROYHEBESA-N	1	0	383.452	1.415	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccn1	ZINC000102754764	527603194	/nfs/dbraw/zinc/60/31/94/527603194.db2.gz	PQSCTQVNSIEYAT-HVESIFNPSA-N	1	0	383.452	1.415	50	30		GDEARO
CC1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)c2)CC1	ZINC000215062853	570284799	/nfs/dbraw/zinc/28/47/99/570284799.db2.gz	RGFSXDSLLLDQSV-OAHLLOKOSA-N	1	0	376.482	1.093	50	30		GDEARO
C=CCOC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(OC)c(OC)c1	ZINC000036095596	570534701	/nfs/dbraw/zinc/53/47/01/570534701.db2.gz	MCYUKFWDBCGDKK-LJQANCHMSA-N	1	0	394.512	1.402	50	30		GDEARO
CN(CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000083857464	570972377	/nfs/dbraw/zinc/97/23/77/570972377.db2.gz	MRNNXNMTZQXHFG-KRWDZBQOSA-N	1	0	390.509	1.266	50	30		GDEARO
C=C[C@](C)(CO)N1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2F)C1	ZINC000169679538	570600761	/nfs/dbraw/zinc/60/07/61/570600761.db2.gz	KPUDRHYOAWGFPQ-OXJNMPFZSA-N	1	0	380.460	1.552	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(=O)c1=O	ZINC000033268732	570893400	/nfs/dbraw/zinc/89/34/00/570893400.db2.gz	OFRFUVZAWWINQD-QGZVFWFLSA-N	1	0	398.507	1.730	50	30		GDEARO
COc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000095516489	136180979	/nfs/dbraw/zinc/18/09/79/136180979.db2.gz	WQPIDMGIEYAPPI-GOSISDBHSA-N	1	0	382.464	1.960	50	30		GDEARO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1	ZINC000068133773	518289338	/nfs/dbraw/zinc/28/93/38/518289338.db2.gz	RPEXSQOGCGPSLF-SFHVURJKSA-N	1	0	389.521	1.689	50	30		GDEARO
C=CCNC(=O)N1CCO[C@@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)cc2)C1	ZINC000034692288	518904018	/nfs/dbraw/zinc/90/40/18/518904018.db2.gz	QQQVBOYHDKYBEY-IBGZPJMESA-N	1	0	388.512	1.595	50	30		GDEARO
Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000426370865	534689230	/nfs/dbraw/zinc/68/92/30/534689230.db2.gz	XQZPAYUGEMWAGK-IBGZPJMESA-N	1	0	380.496	1.899	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccncc1	ZINC000013731523	527606005	/nfs/dbraw/zinc/60/60/05/527606005.db2.gz	GRWCUZXIEJWFOT-KRWDZBQOSA-N	1	0	383.452	1.572	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccn1	ZINC000013693217	527606020	/nfs/dbraw/zinc/60/60/20/527606020.db2.gz	YGFWGMLQUSUJKM-KRWDZBQOSA-N	1	0	383.452	1.572	50	30		GDEARO
C=CCN1CC[C@@]2(CN(CC(=O)NC3CCCCC3)CC[N@H+]2C)CCC1=O	ZINC000107412130	570233835	/nfs/dbraw/zinc/23/38/35/570233835.db2.gz	VLJBBXRIDOXULH-OAQYLSRUSA-N	1	0	376.545	1.620	50	30		GDEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000248014971	570441486	/nfs/dbraw/zinc/44/14/86/570441486.db2.gz	FXAUMZXMMDRHJZ-XXLXZOJFSA-N	1	0	385.489	1.370	50	30		GDEARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C#N)[NH+](C)C)cc1	ZINC000004330368	570573336	/nfs/dbraw/zinc/57/33/36/570573336.db2.gz	YFUXZERBQXYCTR-LJQANCHMSA-N	1	0	379.464	1.982	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c1=O	ZINC000033268744	570893386	/nfs/dbraw/zinc/89/33/86/570893386.db2.gz	XJDGMEOEHOFZLI-QGZVFWFLSA-N	1	0	398.507	1.587	50	30		GDEARO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1	ZINC000014236190	209166610	/nfs/dbraw/zinc/16/66/10/209166610.db2.gz	CNUSENLLVGACEB-KRWDZBQOSA-N	1	0	395.525	1.238	50	30		GDEARO
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1	ZINC000012210488	570626393	/nfs/dbraw/zinc/62/63/93/570626393.db2.gz	LQKKNMWOUNKVRQ-GFCCVEGCSA-O	1	0	384.334	1.808	50	30		GDEARO
N#CC1(c2ccccc2)CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CC1	ZINC000065423394	570767998	/nfs/dbraw/zinc/76/79/98/570767998.db2.gz	IENLRLVFTQRQQU-KRWDZBQOSA-N	1	0	378.480	1.975	50	30		GDEARO
O=C(C[N+]12CCN(CC1)CC2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000012551438	570854948	/nfs/dbraw/zinc/85/49/48/570854948.db2.gz	IVAYTUZUOUZBFW-UHFFFAOYSA-O	1	0	399.437	1.627	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c1=O	ZINC000033268745	570893108	/nfs/dbraw/zinc/89/31/08/570893108.db2.gz	XJDGMEOEHOFZLI-KRWDZBQOSA-N	1	0	398.507	1.587	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c1=O	ZINC000033268737	570893441	/nfs/dbraw/zinc/89/34/41/570893441.db2.gz	MQWUMZSFZKFEKM-MRXNPFEDSA-N	1	0	384.480	1.340	50	30		GDEARO
C[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000032916503	570927949	/nfs/dbraw/zinc/92/79/49/570927949.db2.gz	OEAWQQNELSHYBU-UHFFFAOYSA-N	1	0	384.505	1.784	50	30		GDEARO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000058316529	570984135	/nfs/dbraw/zinc/98/41/35/570984135.db2.gz	GUAREQVEXNGNLH-MRXNPFEDSA-N	1	0	377.510	1.448	50	30		GDEARO
C#CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000054211480	518274443	/nfs/dbraw/zinc/27/44/43/518274443.db2.gz	JMOYHDOOLVYJIZ-GFCCVEGCSA-N	1	0	379.258	1.244	50	30		GDEARO
CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000011843924	570588263	/nfs/dbraw/zinc/58/82/63/570588263.db2.gz	KGFPXINCPNBQAQ-IBGZPJMESA-O	1	0	392.407	1.221	50	30		GDEARO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(OC)c1	ZINC000014200938	209167102	/nfs/dbraw/zinc/16/71/02/209167102.db2.gz	RAUARYDAYQWJLB-SFHVURJKSA-N	1	0	376.497	1.964	50	30		GDEARO
CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(OC)cc2OC)n1	ZINC000020503050	520904605	/nfs/dbraw/zinc/90/46/05/520904605.db2.gz	LSQMPXZDQXIBCJ-UHFFFAOYSA-N	1	0	375.385	1.363	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000013732684	526483601	/nfs/dbraw/zinc/48/36/01/526483601.db2.gz	DFOJJSZRRHQFCU-QGZVFWFLSA-N	1	0	383.452	1.952	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1	ZINC000013690508	230885838	/nfs/dbraw/zinc/88/58/38/230885838.db2.gz	IQTBUTKENLNJHZ-SFHVURJKSA-N	1	0	397.479	1.962	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217610403	209185572	/nfs/dbraw/zinc/18/55/72/209185572.db2.gz	TYOAHTVRXLESJN-OFITYZOYSA-N	1	0	385.423	1.659	50	30		GDEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(C)C(=O)[C@@H]32)C1=O	ZINC000217590695	209185442	/nfs/dbraw/zinc/18/54/42/209185442.db2.gz	FXAUMZXMMDRHJZ-WRXMGDCGSA-N	1	0	385.489	1.370	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C1	ZINC000071750544	211055461	/nfs/dbraw/zinc/05/54/61/211055461.db2.gz	HYZKJQSHEIPEBO-KRWDZBQOSA-N	1	0	399.495	1.032	50	30		GDEARO
C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1	ZINC000016235310	527057030	/nfs/dbraw/zinc/05/70/30/527057030.db2.gz	KLHVPCLSVUXNTQ-UHFFFAOYSA-N	1	0	385.489	1.590	50	30		GDEARO
COc1ccc(-c2nc(C#N)c(NCC[NH+](C)C)o2)cc1S(=O)(=O)N(C)C	ZINC000013688851	210079656	/nfs/dbraw/zinc/07/96/56/210079656.db2.gz	JUTZYHJULXBONL-UHFFFAOYSA-N	1	0	393.469	1.446	50	30		GDEARO
COc1cccc(NC(=O)C2C(=O)[N+](c3cccc(OC)c3)=NN2CC#N)c1	ZINC000005274778	212064942	/nfs/dbraw/zinc/06/49/42/212064942.db2.gz	NDRHOXGFIQDZKM-UHFFFAOYSA-O	1	0	380.384	1.658	50	30		GDEARO
N#Cc1cccc(N2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)n1	ZINC000071750187	211055225	/nfs/dbraw/zinc/05/52/25/211055225.db2.gz	FAHDMNLHOCKSCE-FGZHOGPDSA-N	1	0	391.519	1.753	50	30		GDEARO
N#Cc1cc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)ccc1N1CCOCC1	ZINC000072411000	136169635	/nfs/dbraw/zinc/16/96/35/136169635.db2.gz	SPGYAPPBAZNRGR-UHFFFAOYSA-N	1	0	375.436	1.547	50	30		GDEARO
C=CCN1CC[NH+](C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1	ZINC000067755379	518865115	/nfs/dbraw/zinc/86/51/15/518865115.db2.gz	CBQPXYHPNOSZBE-NRFANRHFSA-N	1	0	391.487	1.491	50	30		GDEARO
Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nnc(N)s3)cc(=O)[nH]2)cc1	ZINC000002203459	524913060	/nfs/dbraw/zinc/91/30/60/524913060.db2.gz	IVSWMQPHVSEJJD-UHFFFAOYSA-N	1	0	388.482	1.863	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000102736043	526483202	/nfs/dbraw/zinc/48/32/02/526483202.db2.gz	ORUSGRVUQCFYDA-GROYHEBESA-N	1	0	383.452	1.795	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000013690509	570669181	/nfs/dbraw/zinc/66/91/81/570669181.db2.gz	IQTBUTKENLNJHZ-GOSISDBHSA-N	1	0	397.479	1.962	50	30		GDEARO
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1	ZINC000014236193	209167130	/nfs/dbraw/zinc/16/71/30/209167130.db2.gz	CNUSENLLVGACEB-QGZVFWFLSA-N	1	0	395.525	1.238	50	30		GDEARO
C=CCCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1	ZINC000012202597	209163305	/nfs/dbraw/zinc/16/33/05/209163305.db2.gz	TUIAOJVZBXNQAA-MRXNPFEDSA-N	1	0	390.532	1.394	50	30		GDEARO
C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1	ZINC000077517685	136172426	/nfs/dbraw/zinc/17/24/26/136172426.db2.gz	QUJDVYWTQUMWST-GOSISDBHSA-N	1	0	398.511	1.380	50	30		GDEARO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]C[C@H](O)CO)c1=O	ZINC000014991530	518653359	/nfs/dbraw/zinc/65/33/59/518653359.db2.gz	HOQVLMQHUNBIRK-AWEZNQCLSA-N	1	0	382.844	1.214	50	30		GDEARO
C=CCOc1ccccc1C[NH2+]CCCn1cc(C(=O)N2CCOCC2)nn1	ZINC000015000170	519072032	/nfs/dbraw/zinc/07/20/32/519072032.db2.gz	WRXKXMGOBSDNAO-UHFFFAOYSA-N	1	0	385.468	1.495	50	30		GDEARO
CCOC(=O)[C@]1(CC)C[C@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	ZINC000001782777	530532217	/nfs/dbraw/zinc/53/22/17/530532217.db2.gz	NUYOWYQYJOZWTG-SJORKVTESA-N	1	0	399.261	1.971	50	30		GDEARO
N#Cc1cccnc1N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1	ZINC000071748530	211052733	/nfs/dbraw/zinc/05/27/33/211052733.db2.gz	NIRNVIXTWMNXQD-FGZHOGPDSA-N	1	0	391.519	1.753	50	30		GDEARO
N#Cc1cccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1	ZINC000071764981	136166583	/nfs/dbraw/zinc/16/65/83/136166583.db2.gz	QLPYPKZASVNMSK-KRWDZBQOSA-N	1	0	383.496	1.493	50	30		GDEARO
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2ncccc2C#N)CC1	ZINC000096164970	136184921	/nfs/dbraw/zinc/18/49/21/136184921.db2.gz	RRFWVHIEOPKQAU-UHFFFAOYSA-N	1	0	380.500	1.213	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000103012427	518274046	/nfs/dbraw/zinc/27/40/46/518274046.db2.gz	TYOAHTVRXLESJN-ISPUEKSMSA-N	1	0	385.423	1.659	50	30		GDEARO
C=CCOc1c(Cl)cc(C[NH+]2CCC3(CC2)NCCNC3=O)cc1OC	ZINC000067954669	519004017	/nfs/dbraw/zinc/00/40/17/519004017.db2.gz	CRGQUDAXWYFCSC-UHFFFAOYSA-N	1	0	379.888	1.967	50	30		GDEARO
N#CC1(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000071721376	526431210	/nfs/dbraw/zinc/43/12/10/526431210.db2.gz	FSPNTNIVAKIESA-QGZVFWFLSA-N	1	0	395.507	1.705	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)c(C)n1	ZINC000102751884	527219127	/nfs/dbraw/zinc/21/91/27/527219127.db2.gz	MBRSHKSKXGGIBL-GROYHEBESA-N	1	0	381.436	1.472	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000013728822	527606175	/nfs/dbraw/zinc/60/61/75/527606175.db2.gz	MYLVKYKSEDWSKZ-GOSISDBHSA-N	1	0	397.479	1.962	50	30		GDEARO
C[O+]=NN(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C	ZINC000225288608	570375081	/nfs/dbraw/zinc/37/50/81/570375081.db2.gz	NUTCELAEIKXDEI-INIZCTEOSA-N	1	0	385.466	1.225	50	30		GDEARO
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(Cn2ccnc2)cc1	ZINC000090743685	570414627	/nfs/dbraw/zinc/41/46/27/570414627.db2.gz	PNLMRNHNBXXTHG-UHFFFAOYSA-N	1	0	388.427	1.843	50	30		GDEARO
N#Cc1nccnc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1	ZINC000299800892	212041612	/nfs/dbraw/zinc/04/16/12/212041612.db2.gz	WALTVPZWDKRYAN-QGZVFWFLSA-N	1	0	384.484	1.110	50	30		GDEARO
COc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000095516490	136180971	/nfs/dbraw/zinc/18/09/71/136180971.db2.gz	WQPIDMGIEYAPPI-SFHVURJKSA-N	1	0	382.464	1.960	50	30		GDEARO
C=CCN1CC[C@]2(CN(C(=O)c3cnn4ccccc34)CC[N@H+]2C)CCC1=O	ZINC000095388466	518870908	/nfs/dbraw/zinc/87/09/08/518870908.db2.gz	GOIAKZXWQYTDQV-NRFANRHFSA-N	1	0	381.480	1.659	50	30		GDEARO
C=CCNC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000012304560	518902766	/nfs/dbraw/zinc/90/27/66/518902766.db2.gz	ADBSCJRXAKLKLS-KRWDZBQOSA-N	1	0	385.512	1.770	50	30		GDEARO
C=CCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1	ZINC000012304311	518903742	/nfs/dbraw/zinc/90/37/42/518903742.db2.gz	ULQSPPNKUOPEEN-GOSISDBHSA-N	1	0	385.512	1.770	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1	ZINC000102741666	527602604	/nfs/dbraw/zinc/60/26/04/527602604.db2.gz	TWTAYKNAMRXKAC-GHNGSUTGSA-N	1	0	397.479	1.805	50	30		GDEARO
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1N=NC1C[NH+]2CCC1CC2	ZINC000252460194	570960085	/nfs/dbraw/zinc/96/00/85/570960085.db2.gz	CLTLMDNFZLYZRT-UHFFFAOYSA-N	1	0	388.472	1.203	50	30		GDEARO
C#C[C@H](CO)[N@H+](CCN(Cc1ccccc1)[C@@H](C#C)CO)Cc1ccccc1	ZINC000019300177	209172716	/nfs/dbraw/zinc/17/27/16/209172716.db2.gz	SYZUQSPEEKTLNH-PSWAGMNNSA-N	1	0	376.500	1.979	50	30		GDEARO
CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	ZINC000000716700	209166724	/nfs/dbraw/zinc/16/67/24/209166724.db2.gz	BHTLMZMEQFNADC-UHFFFAOYSA-N	1	0	397.519	1.755	50	30		GDEARO
C=CCN1C(=O)C(=CNC2CC[NH+](Cc3ccccc3)CC2)C(=O)NC1=S	ZINC000019997169	518822630	/nfs/dbraw/zinc/82/26/30/518822630.db2.gz	MIKKNPSSVFXUQL-GHRIWEEISA-N	1	0	384.505	1.554	50	30		GDEARO
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000426370866	534689296	/nfs/dbraw/zinc/68/92/96/534689296.db2.gz	XQZPAYUGEMWAGK-LJQANCHMSA-N	1	0	380.496	1.899	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c(C)n1	ZINC000102739096	527218734	/nfs/dbraw/zinc/21/87/34/527218734.db2.gz	GSWZCBVBFUVVSF-GHNGSUTGSA-N	1	0	395.463	1.862	50	30		GDEARO
N#CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[NH2+]CC3)c2)CC1	ZINC000214949504	570282933	/nfs/dbraw/zinc/28/29/33/570282933.db2.gz	XDFADPNHXAERIU-UHFFFAOYSA-N	1	0	376.482	1.046	50	30		GDEARO
CCOC(=O)C1=C(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)NC(=O)NC1	ZINC000022783792	570547339	/nfs/dbraw/zinc/54/73/39/570547339.db2.gz	YQQASWVEGYTFME-UHFFFAOYSA-N	1	0	397.479	1.196	50	30		GDEARO
C=CCOC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cn2)CC1	ZINC000034667969	120300607	/nfs/dbraw/zinc/30/06/07/120300607.db2.gz	OLCXXKSSXFLKET-SFHVURJKSA-N	1	0	376.501	1.752	50	30		GDEARO
C#CCNC(=O)[C@H](C)[N@H+](CCN1CCN(c2cccc(C)c2)CC1)CC1CC1	ZINC000095456040	518283868	/nfs/dbraw/zinc/28/38/68/518283868.db2.gz	STLNEUZLVWQQGM-FQEVSTJZSA-N	1	0	382.552	1.967	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)c(C)n1	ZINC000102736051	527218400	/nfs/dbraw/zinc/21/84/00/527218400.db2.gz	LBZFCSFUQVZHSI-GHNGSUTGSA-N	1	0	395.463	1.862	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)c(C)n1	ZINC000102739907	527218522	/nfs/dbraw/zinc/21/85/22/527218522.db2.gz	PCVMINFGAJGBMR-HVESIFNPSA-N	1	0	381.436	1.472	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000102741670	527601485	/nfs/dbraw/zinc/60/14/85/527601485.db2.gz	TWTAYKNAMRXKAC-SELCWUDQSA-N	1	0	397.479	1.805	50	30		GDEARO
N#Cc1cccnc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1	ZINC000299754897	212030802	/nfs/dbraw/zinc/03/08/02/212030802.db2.gz	BSULKJXZSYAEHD-LJQANCHMSA-N	1	0	383.496	1.715	50	30		GDEARO
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCC(O)(C[NH+]3CCCC3)CC1)C2	ZINC000067884276	519288594	/nfs/dbraw/zinc/28/85/94/519288594.db2.gz	NSECPPSPJLKQDR-MRXNPFEDSA-N	1	0	388.512	1.547	50	30		GDEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCN(CC)CC)C2	ZINC000097361861	519288805	/nfs/dbraw/zinc/28/88/05/519288805.db2.gz	YWXPQYFFLWMBBW-QGZVFWFLSA-N	1	0	389.544	1.330	50	30		GDEARO
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C[C@]2(C(=O)[O-])C1	ZINC000096148072	570998808	/nfs/dbraw/zinc/99/88/08/570998808.db2.gz	BJUCWGDOCLKIFZ-VGOFRKELSA-N	1	0	396.491	1.489	50	30		GDEARO
COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000091780606	211204757	/nfs/dbraw/zinc/20/47/57/211204757.db2.gz	AONVKZYFGHCFKP-UHFFFAOYSA-N	1	0	379.464	1.804	50	30		GDEARO
N#Cc1cccnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	ZINC000071774422	136166675	/nfs/dbraw/zinc/16/66/75/136166675.db2.gz	KIIQDLSPYIMWKH-GOSISDBHSA-N	1	0	383.496	1.493	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)c(C)n1	ZINC000102739913	527218935	/nfs/dbraw/zinc/21/89/35/527218935.db2.gz	PCVMINFGAJGBMR-GROYHEBESA-N	1	0	381.436	1.472	50	30		GDEARO
O[C@@H]1C[N@H+](Cc2ccc(C#Cc3cncnc3)cc2)CC[C@H]1N1CCOCC1	ZINC000019837036	527678735	/nfs/dbraw/zinc/67/87/35/527678735.db2.gz	ORDGKUWDRLWQGS-FGZHOGPDSA-N	1	0	378.476	1.144	50	30		GDEARO
CS(=O)(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CC[NH2+]CC1	ZINC000263625406	212031340	/nfs/dbraw/zinc/03/13/40/212031340.db2.gz	ZPSFHENQSSISQP-UHFFFAOYSA-N	1	0	387.469	1.302	50	30		GDEARO
N#Cc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c1	ZINC000071764726	136166421	/nfs/dbraw/zinc/16/64/21/136166421.db2.gz	RKEGXQAUBKAAOL-GOSISDBHSA-N	1	0	383.496	1.493	50	30		GDEARO
CC(=[NH+]CCN1CC[NH2+]CC1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000101156843	222467563	/nfs/dbraw/zinc/46/75/63/222467563.db2.gz	IYQIRQJZTYQEHG-FYJGNVAPSA-N	1	0	384.509	1.798	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000100162949	518273092	/nfs/dbraw/zinc/27/30/92/518273092.db2.gz	LYOAONQUUIWJHU-DRKJMRBYSA-N	1	0	399.450	1.655	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)c(C)n1	ZINC000102736053	527219254	/nfs/dbraw/zinc/21/92/54/527219254.db2.gz	LBZFCSFUQVZHSI-SELCWUDQSA-N	1	0	395.463	1.862	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1	ZINC000071775979	222197674	/nfs/dbraw/zinc/19/76/74/222197674.db2.gz	GGHKRPAONQIPAF-LJQANCHMSA-N	1	0	398.507	1.637	50	30		GDEARO
C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1	ZINC000040024653	518287746	/nfs/dbraw/zinc/28/77/46/518287746.db2.gz	LLRHBFIQPNQBOF-UHFFFAOYSA-N	1	0	399.516	1.850	50	30		GDEARO
C=CCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004316458	519195293	/nfs/dbraw/zinc/19/52/93/519195293.db2.gz	MSENWQDYGXHORB-UHFFFAOYSA-N	1	0	394.479	1.240	50	30		GDEARO
C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#CCO)cc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095499732	523921891	/nfs/dbraw/zinc/92/18/91/523921891.db2.gz	XGCLVJGPHUFXEY-YADHBBJMSA-N	1	0	399.535	1.333	50	30		GDEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000248014967	570441314	/nfs/dbraw/zinc/44/13/14/570441314.db2.gz	FXAUMZXMMDRHJZ-NEVJAFOQSA-N	1	0	385.489	1.370	50	30		GDEARO
C=CCOC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(OC)c(OC)c1	ZINC000036095594	570535078	/nfs/dbraw/zinc/53/50/78/570535078.db2.gz	MCYUKFWDBCGDKK-IBGZPJMESA-N	1	0	394.512	1.402	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3C#N)CC2)C1	ZINC000067854754	222163159	/nfs/dbraw/zinc/16/31/59/222163159.db2.gz	FGFOEHHFYNMSOC-HXUWFJFHSA-N	1	0	384.524	1.997	50	30		GDEARO
CC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1	ZINC000082051260	222307106	/nfs/dbraw/zinc/30/71/06/222307106.db2.gz	DWCCFNDVHQOIKI-OVDOOKCHSA-N	1	0	376.497	1.678	50	30	biogenic	GDEARO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1	ZINC000068133772	518289436	/nfs/dbraw/zinc/28/94/36/518289436.db2.gz	RPEXSQOGCGPSLF-GOSISDBHSA-N	1	0	389.521	1.689	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1	ZINC000013723832	527606355	/nfs/dbraw/zinc/60/63/55/527606355.db2.gz	SNFKFUNVBUAEON-SFHVURJKSA-N	1	0	397.479	1.962	50	30		GDEARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C#N)[NH+](C)C)cc1	ZINC000004330369	570573304	/nfs/dbraw/zinc/57/33/04/570573304.db2.gz	YFUXZERBQXYCTR-IBGZPJMESA-N	1	0	379.464	1.982	50	30		GDEARO
C=CCOc1ccccc1NC(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1	ZINC000299757215	570648085	/nfs/dbraw/zinc/64/80/85/570648085.db2.gz	JMBMIORLCPNTNT-UHFFFAOYSA-N	1	0	388.512	1.858	50	30		GDEARO
C[NH+](C)CCn1c(N)c(-c2nc3ccccc3c(=O)[nH]2)c2nc(C#N)c(C#N)nc21	ZINC000005843237	570796773	/nfs/dbraw/zinc/79/67/73/570796773.db2.gz	OPULTXMNUNNDBC-UHFFFAOYSA-N	1	0	399.418	1.222	50	30		GDEARO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)cc1	ZINC000014201675	221304842	/nfs/dbraw/zinc/30/48/42/221304842.db2.gz	DHJJARZGYYAQRP-UHFFFAOYSA-N	1	0	381.392	1.503	50	30		GDEARO
N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1	ZINC000101554602	136189741	/nfs/dbraw/zinc/18/97/41/136189741.db2.gz	LHHVSDLLTXLCKB-UHFFFAOYSA-N	1	0	377.448	1.808	50	30		GDEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCN(CCO)CCO)[C@H]3C[C@@H]12	ZINC000012661586	518661396	/nfs/dbraw/zinc/66/13/96/518661396.db2.gz	DOJQRTNIJIYKHS-VRRLNDPFSA-N	1	0	394.556	1.567	50	30	biogenic	GDEARO
CN1CCN(C(=O)[C@H]2[C@@H]3C[N@@H+](Cc4ccc(C#CC(C)(C)O)cc4)C[C@@H]32)CC1	ZINC000101871081	523881499	/nfs/dbraw/zinc/88/14/99/523881499.db2.gz	OSWKXTOYMHLDJI-AERCQKQUSA-N	1	0	381.520	1.261	50	30		GDEARO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C(=O)NCCCO)nn2)C1	ZINC000011975941	526930706	/nfs/dbraw/zinc/93/07/06/526930706.db2.gz	DAUWTIJHYZOXPN-SFHVURJKSA-N	1	0	399.495	1.792	50	30		GDEARO
CCOC(=O)[C@@]1(CC)C[C@@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	ZINC000001782784	212255367	/nfs/dbraw/zinc/25/53/67/212255367.db2.gz	NUYOWYQYJOZWTG-DLBZAZTESA-N	1	0	399.261	1.971	50	30		GDEARO
Cc1ccc(C(=[NH2+])NOC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000018251054	221391277	/nfs/dbraw/zinc/39/12/77/221391277.db2.gz	AJRCDQWIIVJKMM-UHFFFAOYSA-N	1	0	375.450	1.788	50	30		GDEARO
N#Cc1cccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1	ZINC000426396682	534800366	/nfs/dbraw/zinc/80/03/66/534800366.db2.gz	WAKYKSBGEXLRCE-KRWDZBQOSA-N	1	0	377.448	1.547	50	30		GDEARO
CN1CCC([NH+]2CCC(CNC(=O)N3CCn4nc(C#N)cc4C3)CC2)CC1	ZINC000584900334	570892692	/nfs/dbraw/zinc/89/26/92/570892692.db2.gz	WNKJILHIXYHBHP-UHFFFAOYSA-N	1	0	385.516	1.086	50	30		GDEARO
N#Cc1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1	ZINC000241132891	222720386	/nfs/dbraw/zinc/72/03/86/222720386.db2.gz	JMWPESKMIBKOMM-ZDUSSCGKSA-N	1	0	396.822	1.326	50	30		GDEARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3C#N)[NH+](C)C)ccc21	ZINC000008963886	221065615	/nfs/dbraw/zinc/06/56/15/221065615.db2.gz	QUXJZCFZAORWQE-FQEVSTJZSA-N	1	0	391.475	1.908	50	30		GDEARO
CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4cc(C#N)ccn4)CC3)C2)CC1	ZINC000071745407	136165902	/nfs/dbraw/zinc/16/59/02/136165902.db2.gz	RLXNMPNLQNOAEE-LJQANCHMSA-N	1	0	396.539	1.408	50	30		GDEARO
CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4cccc(C#N)n4)CC3)C2)CC1	ZINC000071753070	222192326	/nfs/dbraw/zinc/19/23/26/222192326.db2.gz	PBVLWDKIMFGYCA-SFHVURJKSA-N	1	0	396.539	1.408	50	30		GDEARO
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000034071582	518835487	/nfs/dbraw/zinc/83/54/87/518835487.db2.gz	BBKPOEYXUPHOPK-ZDUSSCGKSA-N	1	0	394.432	1.480	50	30		GDEARO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH2+]CCO)cc1	ZINC000019848367	525223353	/nfs/dbraw/zinc/22/33/53/525223353.db2.gz	FVOUFSAISAAJDI-LJQANCHMSA-N	1	0	396.443	1.855	50	30		GDEARO
N#CC1(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000071721377	526431352	/nfs/dbraw/zinc/43/13/52/526431352.db2.gz	FSPNTNIVAKIESA-KRWDZBQOSA-N	1	0	395.507	1.705	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000013723834	527605882	/nfs/dbraw/zinc/60/58/82/527605882.db2.gz	SNFKFUNVBUAEON-GOSISDBHSA-N	1	0	397.479	1.962	50	30		GDEARO
C#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1	ZINC000015065877	570246436	/nfs/dbraw/zinc/24/64/36/570246436.db2.gz	KIOJZJMYDWHMBI-FGZHOGPDSA-N	1	0	376.504	1.820	50	30		GDEARO
C=CCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(C)cc3)C2C(=O)OCC)CC1	ZINC000051318522	570910609	/nfs/dbraw/zinc/91/06/09/570910609.db2.gz	BIYZGFSZMFIIII-FQEVSTJZSA-N	1	0	398.507	1.970	50	30		GDEARO
C=CCn1ncc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)c1C	ZINC000095528940	570996046	/nfs/dbraw/zinc/99/60/46/570996046.db2.gz	PANIJESUSNYSNZ-UHFFFAOYSA-N	1	0	398.511	1.623	50	30		GDEARO
C#C[C@@H](CO)N(CC[N@H+](Cc1ccccc1)[C@@H](C#C)CO)Cc1ccccc1	ZINC000101810808	212079928	/nfs/dbraw/zinc/07/99/28/212079928.db2.gz	SYZUQSPEEKTLNH-ZEQRLZLVSA-N	1	0	376.500	1.979	50	30		GDEARO
C[O+]=NN(O)CC(=O)N1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21	ZINC000225400164	533123357	/nfs/dbraw/zinc/12/33/57/533123357.db2.gz	NVHIQHUOCZUPIK-UHFFFAOYSA-N	1	0	395.392	1.740	50	30		GDEARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1c(C)c(C#N)c2ccccc21	ZINC000067947800	222168874	/nfs/dbraw/zinc/16/88/74/222168874.db2.gz	QEVKKNHZOINOFU-BEFAXECRSA-N	1	0	381.480	1.618	50	30		GDEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@H](C)CC)co2)CC1	ZINC000034677394	518727635	/nfs/dbraw/zinc/72/76/35/518727635.db2.gz	ADLQINYLAWHMGA-SJORKVTESA-N	1	0	378.517	1.895	50	30		GDEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(C)C(=O)[C@@H]32)C1=O	ZINC000015319119	570247297	/nfs/dbraw/zinc/24/72/97/570247297.db2.gz	FXAUMZXMMDRHJZ-CQNRTFJUSA-N	1	0	385.489	1.370	50	30		GDEARO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000009512763	221082897	/nfs/dbraw/zinc/08/28/97/221082897.db2.gz	WMKYIPSIDLIBOP-CJNGLKHVSA-N	1	0	375.450	1.296	50	30		GDEARO
N#Cc1ccccc1CN1C(=O)N[C@](c2cccnc2)(C2CC[NH2+]CC2)C1=O	ZINC000067675706	222153560	/nfs/dbraw/zinc/15/35/60/222153560.db2.gz	BHNQIWDXKKQSLR-NRFANRHFSA-N	1	0	375.432	1.900	50	30		GDEARO
C#CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1	ZINC000058250032	518275939	/nfs/dbraw/zinc/27/59/39/518275939.db2.gz	FKOQBADPEPVWJM-UHFFFAOYSA-N	1	0	378.270	1.849	50	30		GDEARO
C=C(C)Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000055558873	518638095	/nfs/dbraw/zinc/63/80/95/518638095.db2.gz	ZIPKDEDYICRQJY-UHFFFAOYSA-N	1	0	394.479	1.322	50	30		GDEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@@H](C)CC)co2)CC1	ZINC000034677393	518718294	/nfs/dbraw/zinc/71/82/94/518718294.db2.gz	ADLQINYLAWHMGA-DLBZAZTESA-N	1	0	378.517	1.895	50	30		GDEARO
N#Cc1cccc(CS(=O)(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)c1	ZINC000237703296	570402146	/nfs/dbraw/zinc/40/21/46/570402146.db2.gz	XWUZQUVTZAINRT-UHFFFAOYSA-N	1	0	388.468	1.727	50	30		GDEARO
COc1ccc(C(=[NH2+])NOC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000005014266	570424049	/nfs/dbraw/zinc/42/40/49/570424049.db2.gz	FEYIBZKXDFIPDK-UHFFFAOYSA-N	1	0	391.449	1.488	50	30		GDEARO
Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCC(=O)NCCc1c[nH]cn1	ZINC000101509730	570825952	/nfs/dbraw/zinc/82/59/52/570825952.db2.gz	RVZRBLRQFVPQHC-UHFFFAOYSA-N	1	0	388.431	1.976	50	30		GDEARO
C[NH+](C)CCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)o2)nc1C#N	ZINC000071287223	570888789	/nfs/dbraw/zinc/88/87/89/570888789.db2.gz	ZJFPHNIEMYSENY-UHFFFAOYSA-N	1	0	379.442	1.564	50	30		GDEARO
CCCCCCCCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000096019793	222372965	/nfs/dbraw/zinc/37/29/65/222372965.db2.gz	VAGSDQHFFJKJDA-UHFFFAOYSA-N	1	0	376.505	1.584	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c(C)n1	ZINC000102747954	527218666	/nfs/dbraw/zinc/21/86/66/527218666.db2.gz	PVNGIQMFXWJCRO-GHNGSUTGSA-N	1	0	395.463	1.862	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1	ZINC000013689426	570668725	/nfs/dbraw/zinc/66/87/25/570668725.db2.gz	RTJIVYVDTNHIPO-KRWDZBQOSA-N	1	0	383.452	1.952	50	30		GDEARO
N#Cc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cn1	ZINC000426428929	231220810	/nfs/dbraw/zinc/22/08/10/231220810.db2.gz	SMNZWVQCPBEDAQ-GOSISDBHSA-N	1	0	377.448	1.547	50	30		GDEARO
C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CC[NH2+]CC2)n1	ZINC000004675629	212079397	/nfs/dbraw/zinc/07/93/97/212079397.db2.gz	FLYSINHSQRXFFK-UHFFFAOYSA-N	1	0	386.300	1.751	50	30		GDEARO
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000067540505	222148314	/nfs/dbraw/zinc/14/83/14/222148314.db2.gz	FPMRLVKUAAZRHX-FQEVSTJZSA-N	1	0	384.524	1.997	50	30		GDEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@H](C)CC)co2)CC1	ZINC000034677392	518718782	/nfs/dbraw/zinc/71/87/82/518718782.db2.gz	ADLQINYLAWHMGA-IAGOWNOFSA-N	1	0	378.517	1.895	50	30		GDEARO
C[N@H+](CCO)C[C@@H]1CN(C(=O)CC2=C(c3ccccc3)CCC2=O)C[C@@H]1CO	ZINC000091951306	522883028	/nfs/dbraw/zinc/88/30/28/522883028.db2.gz	XWSTZLFXHJTPHT-QZTJIDSGSA-N	1	0	386.492	1.184	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000015319845	570247166	/nfs/dbraw/zinc/24/71/66/570247166.db2.gz	TYOAHTVRXLESJN-BUFVEUBRSA-N	1	0	385.423	1.659	50	30		GDEARO
C[N@H+](CCO)[C@@H]1c2ccccc2C2(CCN(c3nccnc3C#N)CC2)[C@H]1O	ZINC000023367807	570322032	/nfs/dbraw/zinc/32/20/32/570322032.db2.gz	FUOLOTKJUWRFOJ-MOPGFXCFSA-N	1	0	379.464	1.226	50	30		GDEARO
N#Cc1cnc(SCC(=O)NCc2ccc(CN3CCOCC3)cc2)nc1N	ZINC000023994867	570341376	/nfs/dbraw/zinc/34/13/76/570341376.db2.gz	WIYYMOBTMGBWFK-UHFFFAOYSA-N	1	0	398.492	1.171	50	30		GDEARO
C[O+]=NN(O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C	ZINC000225300450	570374976	/nfs/dbraw/zinc/37/49/76/570374976.db2.gz	CCIXFMWGRGHFBO-KRWDZBQOSA-N	1	0	399.493	1.615	50	30		GDEARO
C=CCn1c2ccccc2n(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c1=O	ZINC000033268738	570404234	/nfs/dbraw/zinc/40/42/34/570404234.db2.gz	MQWUMZSFZKFEKM-INIZCTEOSA-N	1	0	384.480	1.340	50	30		GDEARO
Cc1nn(-c2ccccc2)c(C)c1[P+](N)(N1CCOCC1)N1CCOCC1	ZINC000005445986	570595121	/nfs/dbraw/zinc/59/51/21/570595121.db2.gz	VYIBISMLNWSLKR-UHFFFAOYSA-N	1	0	390.448	1.500	50	30		GDEARO
CCCn1nc2ccccc2c1[P+](N)(N1CCOCC1)N1CCOCC1	ZINC000005257484	570660220	/nfs/dbraw/zinc/66/02/20/570660220.db2.gz	AAYMDAFKZHCRLI-UHFFFAOYSA-N	1	0	378.437	1.457	50	30		GDEARO
CC(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]1c1ccc(Br)cc1	ZINC000022078591	530571728	/nfs/dbraw/zinc/57/17/28/530571728.db2.gz	CQLIYFORNSXRQS-CQSZACIVSA-N	1	0	383.242	1.315	50	30		GDEARO
COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc(C)ccc3C#N)CC2)C1	ZINC000071765141	136166617	/nfs/dbraw/zinc/16/66/17/136166617.db2.gz	SLPMPLAUINTROX-GOSISDBHSA-N	1	0	385.512	1.705	50	30		GDEARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)CCO2	ZINC000096096808	222378772	/nfs/dbraw/zinc/37/87/72/222378772.db2.gz	HVIDALZOMZTRJI-SFHVURJKSA-N	1	0	378.432	1.851	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000013722095	526483543	/nfs/dbraw/zinc/48/35/43/526483543.db2.gz	CEQPYNGZYOBLGC-QGZVFWFLSA-N	1	0	383.452	1.952	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000102739617	527602576	/nfs/dbraw/zinc/60/25/76/527602576.db2.gz	UEDJCNHKKUMZLT-GROYHEBESA-N	1	0	383.452	1.415	50	30		GDEARO
COc1cccc(NC(=O)C2C(=O)[N+](c3cccc(OC)c3)=NN2CC(C)=O)c1	ZINC000005274774	570547874	/nfs/dbraw/zinc/54/78/74/570547874.db2.gz	AYQVKTZZGNHHPX-UHFFFAOYSA-O	1	0	397.411	1.724	50	30		GDEARO
N#Cc1ccc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc1	ZINC000299793326	222791364	/nfs/dbraw/zinc/79/13/64/222791364.db2.gz	INIKKGNPPMQZJR-LJQANCHMSA-N	1	0	383.496	1.715	50	30		GDEARO
Cn1c2ccccc2nc1-c1c(N)n(CC[NH+](C)C)c2nc(C#N)c(C#N)nc12	ZINC000000790641	212181563	/nfs/dbraw/zinc/18/15/63/212181563.db2.gz	YAKJPWQGZPKUMP-UHFFFAOYSA-N	1	0	385.435	1.872	50	30		GDEARO
COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C#N)cn2C)CC1	ZINC000096160900	222393323	/nfs/dbraw/zinc/39/33/23/222393323.db2.gz	FJFIGYXLTQTWFO-LJQANCHMSA-N	1	0	388.512	1.876	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1	ZINC000102741618	527601472	/nfs/dbraw/zinc/60/14/72/527601472.db2.gz	BQIBJORPIVWGSP-SELCWUDQSA-N	1	0	397.479	1.805	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000013731526	527605903	/nfs/dbraw/zinc/60/59/03/527605903.db2.gz	GRWCUZXIEJWFOT-QGZVFWFLSA-N	1	0	383.452	1.572	50	30		GDEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@H]2c2cccnc2)cc1	ZINC000012873343	570445284	/nfs/dbraw/zinc/44/52/84/570445284.db2.gz	XGSREJNPPALUTJ-SFHVURJKSA-N	1	0	397.431	1.250	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1	ZINC000013722092	526482851	/nfs/dbraw/zinc/48/28/51/526482851.db2.gz	CEQPYNGZYOBLGC-KRWDZBQOSA-N	1	0	383.452	1.952	50	30		GDEARO
Cc1cc(C)c(C#N)c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1	ZINC000015143811	570773639	/nfs/dbraw/zinc/77/36/39/570773639.db2.gz	DJUZDBCNJDFFHJ-UHFFFAOYSA-N	1	0	380.477	1.962	50	30		GDEARO
COCCOC(=NC(=O)c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1	ZINC000004906105	571007870	/nfs/dbraw/zinc/00/78/70/571007870.db2.gz	JXOBPEMHIAGZRY-UHFFFAOYSA-N	1	0	377.441	1.650	50	30		GDEARO
CC(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccc(Br)cc1	ZINC000022078593	530571776	/nfs/dbraw/zinc/57/17/76/530571776.db2.gz	CQLIYFORNSXRQS-AWEZNQCLSA-N	1	0	383.242	1.315	50	30		GDEARO
CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000012315389	221178996	/nfs/dbraw/zinc/17/89/96/221178996.db2.gz	DNKHAGIKIAEFJU-HXUWFJFHSA-O	1	0	388.444	1.472	50	30		GDEARO
C#CCN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000100162489	518273245	/nfs/dbraw/zinc/27/32/45/518273245.db2.gz	TYOAHTVRXLESJN-HHYGYBFDSA-N	1	0	385.423	1.659	50	30		GDEARO
C#Cc1cccc(NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000095455036	518361639	/nfs/dbraw/zinc/36/16/39/518361639.db2.gz	SZCNVBKNLRRJPT-NRFANRHFSA-N	1	0	390.487	1.711	50	30		GDEARO
C=CCC[C@H](C[N@H+](C)C1CCN(C)CC1)Oc1cncc(C(=O)N(C)C)n1	ZINC000067868366	518720638	/nfs/dbraw/zinc/72/06/38/518720638.db2.gz	ZNCVKBSUZPCHST-QGZVFWFLSA-N	1	0	375.517	1.918	50	30		GDEARO
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000058316533	570984173	/nfs/dbraw/zinc/98/41/73/570984173.db2.gz	GUAREQVEXNGNLH-INIZCTEOSA-N	1	0	377.510	1.448	50	30		GDEARO
C#C[C@H](CO)N(CC[N@H+](Cc1ccccc1)[C@H](C#C)CO)Cc1ccccc1	ZINC000019300175	212104204	/nfs/dbraw/zinc/10/42/04/212104204.db2.gz	SYZUQSPEEKTLNH-DNQXCXABSA-N	1	0	376.500	1.979	50	30		GDEARO
COc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)[NH+]2CCCC2)cc1	ZINC000012866784	221239853	/nfs/dbraw/zinc/23/98/53/221239853.db2.gz	VOTGTFXDFFXUTL-KRWDZBQOSA-N	1	0	383.452	1.213	50	30		GDEARO
CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4cc(C#N)ccn4)CC3)C2)CC1	ZINC000071745408	136165869	/nfs/dbraw/zinc/16/58/69/136165869.db2.gz	RLXNMPNLQNOAEE-IBGZPJMESA-N	1	0	396.539	1.408	50	30		GDEARO
C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)CC1	ZINC000014994001	518641798	/nfs/dbraw/zinc/64/17/98/518641798.db2.gz	HJVKVGLNXSCOCX-LJQANCHMSA-N	1	0	386.544	1.900	50	30		GDEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)c(C)n1	ZINC000102751882	527218412	/nfs/dbraw/zinc/21/84/12/527218412.db2.gz	MBRSHKSKXGGIBL-HVESIFNPSA-N	1	0	381.436	1.472	50	30		GDEARO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000328593626	528165237	/nfs/dbraw/zinc/16/52/37/528165237.db2.gz	PKJOKBWRLSITBQ-ZDUSSCGKSA-N	1	0	376.417	1.573	50	30		GDEARO
C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccc(C#CCO)s2)C[C@H]1O	ZINC000015069573	570246830	/nfs/dbraw/zinc/24/68/30/570246830.db2.gz	SLMKCHKGCNZRCB-NHCUHLMSSA-N	1	0	385.533	1.597	50	30		GDEARO
C[O+]=NN(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C	ZINC000225288565	570375098	/nfs/dbraw/zinc/37/50/98/570375098.db2.gz	NUTCELAEIKXDEI-MRXNPFEDSA-N	1	0	385.466	1.225	50	30		GDEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1	ZINC000013689428	570668625	/nfs/dbraw/zinc/66/86/25/570668625.db2.gz	RTJIVYVDTNHIPO-QGZVFWFLSA-N	1	0	383.452	1.952	50	30		GDEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1	ZINC000102751758	527601962	/nfs/dbraw/zinc/60/19/62/527601962.db2.gz	UNVMXOKCLLEVSP-SELCWUDQSA-N	1	0	397.479	1.805	50	30		GDEARO
C=CCn1cc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)c(C)n1	ZINC000012430881	570237487	/nfs/dbraw/zinc/23/74/87/570237487.db2.gz	JAVQJRINSUIAMT-NHCUHLMSSA-N	1	0	396.539	1.530	50	30		GDEARO
COCC[NH2+]CC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1	ZINC000006759158	570574397	/nfs/dbraw/zinc/57/43/97/570574397.db2.gz	JWAREFRWYDFKIG-UHFFFAOYSA-N	1	0	385.512	1.450	50	30		GDEARO