smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(C[N+](=O)CCO)ncc1[N+](=O)[O-]	ZINC000001560979	342702781	/nfs/dbraw/zinc/70/27/81/342702781.db2.gz	WLRBYQSTYWHVHQ-YHYXMXQVSA-N	1	0	214.181	-0.750	40	30		BBEBRO
C=CCOC[C@H](O)C[NH2+]C[C@H](O)COCC=C	ZINC000001689828	386645066	/nfs/dbraw/zinc/64/50/66/386645066.db2.gz	FOLUGAPHACONGE-TXEJJXNPSA-N	1	0	245.319	-0.297	40	30		BBEBRO
C=CCOC[C@@H](O)C[NH2+]C[C@H](O)COCC=C	ZINC000001689829	386644512	/nfs/dbraw/zinc/64/45/12/386644512.db2.gz	FOLUGAPHACONGE-RYUDHWBXSA-N	1	0	245.319	-0.297	40	30		BBEBRO
C=CCOC[C@H](O)C[NH2+]C[C@@H](O)COCC=C	ZINC000001689830	386644397	/nfs/dbraw/zinc/64/43/97/386644397.db2.gz	FOLUGAPHACONGE-VXGBXAGGSA-N	1	0	245.319	-0.297	40	30		BBEBRO
NC(=[NH2+])NN=CNN=Cc1ccccc1O	ZINC000001702483	181187846	/nfs/dbraw/zinc/18/78/46/181187846.db2.gz	MTHFNYSMPZSYPI-LFYBBSHMSA-N	1	0	220.236	-0.258	40	30		BBEBRO
COC(=O)C[n+]1ccc(C(=O)OC)cc1	ZINC000001719853	342711132	/nfs/dbraw/zinc/71/11/32/342711132.db2.gz	XEUHEYCYWXPGQJ-UHFFFAOYSA-N	1	0	210.209	-0.066	40	30		BBEBRO
C=CCNC(=O)C[n+]1cccc(C(=O)NC)c1	ZINC000001726561	166373988	/nfs/dbraw/zinc/37/39/88/166373988.db2.gz	HHRQGICOWXUSKA-UHFFFAOYSA-O	1	0	234.279	-0.364	40	30		BBEBRO
C=CCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]	ZINC000002043460	166360253	/nfs/dbraw/zinc/36/02/53/166360253.db2.gz	ZPQWZDPOLXVMOU-ZETCQYMHSA-N	1	0	214.269	-0.522	40	30	in-vivo	BBEBRO
NC(=[NH2+])NN=C1c2cc([N+](=O)[O-])ccc2NC1=O	ZINC000003898451	181187548	/nfs/dbraw/zinc/18/75/48/181187548.db2.gz	JEZZTZGEDRUODW-UHFFFAOYSA-N	1	0	248.202	-0.266	40	30		BBEBRO
CC(=O)C[n+]1c(N)n(N)c2ccccc21	ZINC000004693851	188102347	/nfs/dbraw/zinc/10/23/47/188102347.db2.gz	JUMIUCRTYSVBCP-UHFFFAOYSA-O	1	0	205.241	-0.186	40	30		BBEBRO
N#[N+]c1c2[nH]onc-2c(N2CCOCC2)cc1=O	ZINC000005003009	183317087	/nfs/dbraw/zinc/31/70/87/183317087.db2.gz	GRRJYQNODNMRER-UHFFFAOYSA-N	1	0	247.214	-0.656	40	30		BBEBRO
C[N+](=O)Cc1ncc([N+](=O)[O-])n1CCO	ZINC000005370791	384112463	/nfs/dbraw/zinc/11/24/63/384112463.db2.gz	CEXMYFCEFYJOPR-WEVVVXLNSA-N	1	0	214.181	-0.657	40	30		BBEBRO
C[C@H](O)C[C@@H]([C@H](O)CN=NC(N)=S)[NH+](C)C	ZINC000005763049	342769759	/nfs/dbraw/zinc/76/97/59/342769759.db2.gz	MSMBGNRBLMLLRG-WLQCJXNWSA-N	1	0	248.352	-0.721	40	30		BBEBRO
Cn1c(C=NNC(N)=[NH2+])c[n+]2ccccc12	ZINC000006072352	342773332	/nfs/dbraw/zinc/77/33/32/342773332.db2.gz	QTDVOSNJZZXXPC-AWNIVKPZSA-N	1	0	217.256	-0.629	40	30		BBEBRO
NC(=[NH2+])Nc1ccc(C[C@H]([NH3+])C(=O)[O-])cc1	ZINC000006092922	181323187	/nfs/dbraw/zinc/32/31/87/181323187.db2.gz	FYMNTAQFDTZISY-QMMMGPOBSA-N	1	0	222.248	-0.454	40	30		BBEBRO
NC(=[NH2+])Nc1ccc(C[C@@H]([NH3+])C(=O)[O-])cc1	ZINC000006512393	181322672	/nfs/dbraw/zinc/32/26/72/181322672.db2.gz	FYMNTAQFDTZISY-MRVPVSSYSA-N	1	0	222.248	-0.454	40	30		BBEBRO
NN=C(Cc1ccccc1)NNC(N)=[NH2+]	ZINC000006574855	181183496	/nfs/dbraw/zinc/18/34/96/181183496.db2.gz	NVFBYAJGHVGYAQ-UHFFFAOYSA-N	1	0	206.253	-0.721	40	30		BBEBRO
C[N+](=O)Cc1ncc([N+](=O)[O-])n1CCO	ZINC000013215104	342864682	/nfs/dbraw/zinc/86/46/82/342864682.db2.gz	CEXMYFCEFYJOPR-UITAMQMPSA-N	1	0	214.181	-0.657	40	30		BBEBRO
Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1CC#N	ZINC000013639748	132322015	/nfs/dbraw/zinc/32/20/15/132322015.db2.gz	QWIIVIKIMIGLHQ-UHFFFAOYSA-N	1	0	247.302	-0.104	40	30		BBEBRO
Cl/C(=N\C=[N+]1CCOCC1)N1CCOCC1	ZINC000016138167	342906864	/nfs/dbraw/zinc/90/68/64/342906864.db2.gz	LEVLMJLJZYRMSG-UHFFFAOYSA-N	1	0	246.718	-0.016	40	30		BBEBRO
CC(=NNC(N)=[NH2+])c1cnc(N)nc1C	ZINC000016941054	188106731	/nfs/dbraw/zinc/10/67/31/188106731.db2.gz	MASPFZSUJMFSEB-LHHJGKSTSA-N	1	0	207.241	-0.635	40	30		BBEBRO
Cn1nn[n+](N=Cc2ccccc2)c1N	ZINC000017105043	342920496	/nfs/dbraw/zinc/92/04/96/342920496.db2.gz	MNQRTGJATGKBKF-YRNVUSSQSA-O	1	0	203.229	-0.433	40	30		BBEBRO
NC(N)=[NH+]NC=NN=Cc1ccccc1O	ZINC000017352481	181190836	/nfs/dbraw/zinc/19/08/36/181190836.db2.gz	MTHFNYSMPZSYPI-XGICHPGQSA-N	1	0	220.236	-0.258	40	30		BBEBRO
NC(=[NH2+])Nc1ccccc1S(N)(=O)=O	ZINC000019418228	181322807	/nfs/dbraw/zinc/32/28/07/181322807.db2.gz	NWWWMBQGDCAYMS-UHFFFAOYSA-N	1	0	214.250	-0.761	40	30		BBEBRO
CN1CCN(C(=[NH2+])Nc2ncccn2)CC1	ZINC000020799861	173062479	/nfs/dbraw/zinc/06/24/79/173062479.db2.gz	VWYREBGNJVSXCU-UHFFFAOYSA-N	1	0	220.280	-0.330	40	30		BBEBRO
C=CCNC(=O)[C@@H](C)N1CCN(C)CC1	ZINC000022585806	166382093	/nfs/dbraw/zinc/38/20/93/166382093.db2.gz	OOCYOKWXMXMURP-SNVBAGLBSA-N	1	0	211.309	-0.076	40	30		BBEBRO
C=CCOC[C@@H](O)C[NH+]1CCN(C)CC1	ZINC000022805089	385100825	/nfs/dbraw/zinc/10/08/25/385100825.db2.gz	LLYVYSMJLKLURN-NSHDSACASA-N	1	0	214.309	-0.203	40	30		BBEBRO
C=CCOC[C@H](O)C[NH+]1CCN(C)CC1	ZINC000022805095	385101003	/nfs/dbraw/zinc/10/10/03/385101003.db2.gz	LLYVYSMJLKLURN-LLVKDONJSA-N	1	0	214.309	-0.203	40	30		BBEBRO
N=C(NC(N)=[NH2+])Nc1cnc([N+](=O)[O-])s1	ZINC000031687688	181187612	/nfs/dbraw/zinc/18/76/12/181187612.db2.gz	YHIKXYCMYXTAMQ-UHFFFAOYSA-N	1	0	229.225	-0.519	40	30		BBEBRO
C[NH+](C)[C@@H]1CS(=O)(=O)OC2=C1COCC2	ZINC000031793858	172530010	/nfs/dbraw/zinc/53/00/10/172530010.db2.gz	OXLOHCPPTSYGPH-MRVPVSSYSA-N	1	0	233.289	-0.049	40	30		BBEBRO
C[NH+](C)[C@H]1CS(=O)(=O)OC2=C1COCC2	ZINC000031793861	343224706	/nfs/dbraw/zinc/22/47/06/343224706.db2.gz	OXLOHCPPTSYGPH-QMMMGPOBSA-N	1	0	233.289	-0.049	40	30		BBEBRO
C[N+](C)(N)c1nc(N)c(C#N)c(C#N)c1C#N	ZINC000031853678	411187216	/nfs/dbraw/zinc/18/72/16/411187216.db2.gz	AOEXUJPLSVTCIP-UHFFFAOYSA-N	1	0	228.239	-0.281	40	30		BBEBRO
Cn1nn[n+](N=Cc2ccccc2)c1N	ZINC000031949845	343226482	/nfs/dbraw/zinc/22/64/82/343226482.db2.gz	MNQRTGJATGKBKF-XFFZJAGNSA-O	1	0	203.229	-0.433	40	30		BBEBRO
CC[NH+](CC)CCCNC(N)=N[N+](=O)[O-]	ZINC000033855119	343261900	/nfs/dbraw/zinc/26/19/00/343261900.db2.gz	SELLHSLLADCHAY-UHFFFAOYSA-N	1	0	217.273	-0.186	40	30		BBEBRO
CN(C)C(=[N+](C)C)n1nnc2ncccc21	ZINC000038845350	172396540	/nfs/dbraw/zinc/39/65/40/172396540.db2.gz	SJZAPSHKTOTRBQ-UHFFFAOYSA-N	1	0	219.272	-0.136	40	30		BBEBRO
C=CC[N@@H+]1CCc2[nH]c(=O)n(C)c(=O)c2C1	ZINC000039110365	166359109	/nfs/dbraw/zinc/35/91/09/166359109.db2.gz	OKDNBSVJSIFXHK-UHFFFAOYSA-N	1	0	221.260	-0.382	40	30		BBEBRO
N#Cc1c(N)cc(N)[nH+]c1N1CCOCC1	ZINC000044018784	345810988	/nfs/dbraw/zinc/81/09/88/345810988.db2.gz	CYYDHIXGAABORQ-UHFFFAOYSA-N	1	0	219.248	-0.046	40	30		BBEBRO
NC(=[NH2+])Nc1nc2ccc(N)cc2c(=O)[nH]1	ZINC000062711154	181324671	/nfs/dbraw/zinc/32/46/71/181324671.db2.gz	XNAAJOSUZFZWJQ-UHFFFAOYSA-N	1	0	218.220	-0.590	40	30		BBEBRO
N/C(CN1CC[NH+](C2CCOCC2)CC1)=N\O	ZINC000069290246	345783848	/nfs/dbraw/zinc/78/38/48/345783848.db2.gz	CYKVDKUATJPRQY-UHFFFAOYSA-N	1	0	242.323	-0.471	40	30		BBEBRO
N/C(CN1CC[NH+](C[C@H]2CCCO2)CC1)=N\O	ZINC000070138040	343135069	/nfs/dbraw/zinc/13/50/69/343135069.db2.gz	KJJWNUMEJOHRPW-SNVBAGLBSA-N	1	0	242.323	-0.471	40	30		BBEBRO
N/C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)=N\O	ZINC000070138041	343135450	/nfs/dbraw/zinc/13/54/50/343135450.db2.gz	KJJWNUMEJOHRPW-JTQLQIEISA-N	1	0	242.323	-0.471	40	30		BBEBRO
[NH3+]CCCC[C@H](NC(=O)C[NH3+])C(=O)[O-]	ZINC000071755677	181378751	/nfs/dbraw/zinc/37/87/51/181378751.db2.gz	IKAIKUBBJHFNBZ-LURJTMIESA-N	1	0	203.242	-0.516	40	30	endogenous,in-man	BBEBRO
N#Cc1ccc(NCCNC(N)=[NH2+])nc1	ZINC000079006803	181121609	/nfs/dbraw/zinc/12/16/09/181121609.db2.gz	ASCBRTIXRNMOTB-UHFFFAOYSA-N	1	0	204.237	-0.152	40	30		BBEBRO
C#CCOC[C@H](O)C[NH+]1CCN(C)CC1	ZINC000096305981	188224252	/nfs/dbraw/zinc/22/42/52/188224252.db2.gz	QUQKRFMNXZRJHF-LLVKDONJSA-N	1	0	212.293	-0.756	40	30		BBEBRO
C=C1C[C@@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O	ZINC000096532385	385282670	/nfs/dbraw/zinc/28/26/70/385282670.db2.gz	XIDGBMWWWBLNPC-BDAKNGLRSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@@H](CO)C[C@]1(C[NH3+])S(C)(=O)=O	ZINC000096532387	188223888	/nfs/dbraw/zinc/22/38/88/188223888.db2.gz	XIDGBMWWWBLNPC-RKDXNWHRSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O	ZINC000096532389	187361928	/nfs/dbraw/zinc/36/19/28/187361928.db2.gz	XIDGBMWWWBLNPC-IUCAKERBSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@H](CO)C[C@]1(C[NH3+])S(C)(=O)=O	ZINC000096532391	188051154	/nfs/dbraw/zinc/05/11/54/188051154.db2.gz	XIDGBMWWWBLNPC-DTWKUNHWSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@@H](S(C)(=O)=O)C[C@]1(C[NH3+])CO	ZINC000096532472	188224015	/nfs/dbraw/zinc/22/40/15/188224015.db2.gz	AMVYNLNPHDALIC-BDAKNGLRSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@H](S(C)(=O)=O)C[C@]1(C[NH3+])CO	ZINC000096532474	385284658	/nfs/dbraw/zinc/28/46/58/385284658.db2.gz	AMVYNLNPHDALIC-IUCAKERBSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO	ZINC000096532476	385284858	/nfs/dbraw/zinc/28/48/58/385284858.db2.gz	AMVYNLNPHDALIC-RKDXNWHRSA-N	1	0	219.306	-0.313	40	30		BBEBRO
C=C1C[C@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO	ZINC000096532478	187361813	/nfs/dbraw/zinc/36/18/13/187361813.db2.gz	AMVYNLNPHDALIC-DTWKUNHWSA-N	1	0	219.306	-0.313	40	30		BBEBRO
O=C(ON1C(=O)CCC1=O)C1CC[NH2+]CC1	ZINC000100362709	384635733	/nfs/dbraw/zinc/63/57/33/384635733.db2.gz	NDPQKGJPVGCMKQ-UHFFFAOYSA-N	1	0	226.232	-0.407	40	30		BBEBRO
O=C(ON1C(=O)CCC1=O)[C@H]1CCC[NH2+]C1	ZINC000100362743	384635632	/nfs/dbraw/zinc/63/56/32/384635632.db2.gz	BRHWNQZHBWCWBE-ZETCQYMHSA-N	1	0	226.232	-0.407	40	30		BBEBRO
O=C(ON1C(=O)CCC1=O)[C@@H]1CCC[NH2+]C1	ZINC000100362749	384636692	/nfs/dbraw/zinc/63/66/92/384636692.db2.gz	BRHWNQZHBWCWBE-SSDOTTSWSA-N	1	0	226.232	-0.407	40	30		BBEBRO
CN1c2ccccc2C(=NNC(N)=[NH2+])C1=O	ZINC000100872977	384655997	/nfs/dbraw/zinc/65/59/97/384655997.db2.gz	GCRIAOWJCDPQNR-MDWZMJQESA-N	1	0	217.232	-0.150	40	30		BBEBRO
CN(C)/C=[NH+]\c1cc(=O)n(C)c(=O)n1C	ZINC000103032330	172352518	/nfs/dbraw/zinc/35/25/18/172352518.db2.gz	WXPDRYSTJQKFDQ-POHAHGRESA-N	1	0	210.237	-0.695	40	30		BBEBRO
Cn1c(C[N+](=O)CCO)ncc1[N+](=O)[O-]	ZINC000104192304	180625427	/nfs/dbraw/zinc/62/54/27/180625427.db2.gz	WLRBYQSTYWHVHQ-BJMVGYQFSA-N	1	0	214.181	-0.750	40	30		BBEBRO
N/C(CN1CCN(c2cc[nH+]cc2)CC1)=N\O	ZINC000109443298	343786364	/nfs/dbraw/zinc/78/63/64/343786364.db2.gz	JZKYDBCYQQALMI-UHFFFAOYSA-N	1	0	235.291	-0.050	40	30		BBEBRO
[NH3+]CCCC(=O)ON1C(=O)CCC1=O	ZINC000142648674	345873626	/nfs/dbraw/zinc/87/36/26/345873626.db2.gz	CREFFFYJIIWPMM-UHFFFAOYSA-N	1	0	200.194	-0.668	40	30		BBEBRO
CN(C)C(CN1C(=O)CCC1=O)=[N+](C)C	ZINC000145431971	398290794	/nfs/dbraw/zinc/29/07/94/398290794.db2.gz	BERDZGBCNHVEKL-UHFFFAOYSA-N	1	0	212.273	-0.632	40	30		BBEBRO
N#Cc1c[nH]c(C(=O)N2CC[NH2+]CC2)c1	ZINC000217655225	181078977	/nfs/dbraw/zinc/07/89/77/181078977.db2.gz	RMSBGBWJMCGZLO-UHFFFAOYSA-N	1	0	204.233	-0.068	40	30		BBEBRO
O=C([C@@H]1CCC[N@@H+]1C[C@H]1CO1)N1CCOCC1	ZINC000242581690	388399488	/nfs/dbraw/zinc/39/94/88/388399488.db2.gz	OBOQIELAMFFKRS-QWRGUYRKSA-N	1	0	240.303	-0.292	40	30		BBEBRO
Cn1c(C=NNC2=NCCN2)c[n+]2ccccc12	ZINC000253387975	525397563	/nfs/dbraw/zinc/39/75/63/525397563.db2.gz	DEQZSQQDGFYBOE-OVCLIPMQSA-N	1	0	243.294	-0.354	40	30		BBEBRO
C=CC[N@H+]1CCN(C(C)=O)C[C@@H](C(N)=O)C1	ZINC000257210919	166354409	/nfs/dbraw/zinc/35/44/09/166354409.db2.gz	BWRJAZNIHVDPPW-JTQLQIEISA-N	1	0	225.292	-0.562	40	30		BBEBRO
C=CC[N@H+]1CCN(C(C)=O)C[C@H](C(N)=O)C1	ZINC000257210920	166355657	/nfs/dbraw/zinc/35/56/57/166355657.db2.gz	BWRJAZNIHVDPPW-SNVBAGLBSA-N	1	0	225.292	-0.562	40	30		BBEBRO
C#CCOCCOCCOCCOCC[NH2+]C	ZINC000258831001	187234339	/nfs/dbraw/zinc/23/43/39/187234339.db2.gz	JHXPKKWHNGLMCM-UHFFFAOYSA-N	1	0	245.319	-0.095	40	30		BBEBRO
C=CCN1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	ZINC000259468565	166354442	/nfs/dbraw/zinc/35/44/42/166354442.db2.gz	XUIDDDAZGFLTLW-DTWKUNHWSA-N	1	0	216.306	-0.757	40	30		BBEBRO
NC(=NO)c1c(N)[n+](=O)c2ccccc2n1O	ZINC000408526120	136207480	/nfs/dbraw/zinc/20/74/80/136207480.db2.gz	OKNJGANYCAIULW-UHFFFAOYSA-O	1	0	236.211	-0.530	40	30		BBEBRO
C#CCN1CCCN([C@H]2CC[NH2+]C2)S1(=O)=O	ZINC000409428700	343804098	/nfs/dbraw/zinc/80/40/98/343804098.db2.gz	ANZNEJHLLFXKAI-JTQLQIEISA-N	1	0	243.332	-0.766	40	30		BBEBRO
C#CCN1CCCN([C@@H]2CC[NH2+]C2)S1(=O)=O	ZINC000409428716	343804125	/nfs/dbraw/zinc/80/41/25/343804125.db2.gz	ANZNEJHLLFXKAI-SNVBAGLBSA-N	1	0	243.332	-0.766	40	30		BBEBRO
C#CCN1CCN(C2CC[NH2+]CC2)S1(=O)=O	ZINC000409432276	343825678	/nfs/dbraw/zinc/82/56/78/343825678.db2.gz	NEQDMMFKXUMBCL-UHFFFAOYSA-N	1	0	243.332	-0.766	40	30		BBEBRO
C#CCn1nc2c(c1C(=O)OC)C[NH2+]CC2	ZINC000409436831	343841441	/nfs/dbraw/zinc/84/14/41/343841441.db2.gz	BHGDXFCIZUHEHH-UHFFFAOYSA-N	1	0	219.244	-0.051	40	30		BBEBRO
Cn1c(=O)c(C#N)cn(C[C@@H]2CC[NH2+]C2)c1=O	ZINC000409437771	344462759	/nfs/dbraw/zinc/46/27/59/344462759.db2.gz	BFTVDBJQQTYVSB-MRVPVSSYSA-N	1	0	234.259	-0.972	40	30		BBEBRO
Cn1c(=O)c(C#N)cn(C[C@H]2CC[NH2+]C2)c1=O	ZINC000409437775	369977216	/nfs/dbraw/zinc/97/72/16/369977216.db2.gz	BFTVDBJQQTYVSB-QMMMGPOBSA-N	1	0	234.259	-0.972	40	30		BBEBRO
C#CCn1nc2c(c1C[NH3+])CS(=O)(=O)CC2	ZINC000409438472	343844240	/nfs/dbraw/zinc/84/42/40/343844240.db2.gz	LLTXQTMWNDTVIF-UHFFFAOYSA-N	1	0	239.300	-0.554	40	30		BBEBRO
C#CCn1nc2c(c1C(N)=[NH2+])COCC2	ZINC000409439763	343848394	/nfs/dbraw/zinc/84/83/94/343848394.db2.gz	QQAXGWSOTMQTFF-UHFFFAOYSA-N	1	0	204.233	-0.127	40	30		BBEBRO
Cn1c(=O)c(C#N)cn(CC2CC[NH2+]CC2)c1=O	ZINC000409441315	369978366	/nfs/dbraw/zinc/97/83/66/369978366.db2.gz	OPVLEHDFHHVYBS-UHFFFAOYSA-N	1	0	248.286	-0.582	40	30		BBEBRO
Cn1c(=O)c(C#N)cn([C@@H]2CCC[NH2+]C2)c1=O	ZINC000409442238	344467259	/nfs/dbraw/zinc/46/72/59/344467259.db2.gz	UIISNGUZWCTQMZ-SECBINFHSA-N	1	0	234.259	-0.657	40	30		BBEBRO
Cn1c(=O)c(C#N)cn([C@H]2CCC[NH2+]C2)c1=O	ZINC000409442239	369978080	/nfs/dbraw/zinc/97/80/80/369978080.db2.gz	UIISNGUZWCTQMZ-VIFPVBQESA-N	1	0	234.259	-0.657	40	30		BBEBRO
Cn1c(=O)c(C#N)cn(C2CC[NH2+]CC2)c1=O	ZINC000409442611	344466230	/nfs/dbraw/zinc/46/62/30/344466230.db2.gz	YCHQHWFYGKLOOA-UHFFFAOYSA-N	1	0	234.259	-0.657	40	30		BBEBRO
C#C[C@]1(O)CCCC[C@@H]1[NH2+][C@@H](C)C(N)=O	ZINC000536553478	398189957	/nfs/dbraw/zinc/18/99/57/398189957.db2.gz	MZCIRKGVJKLXGH-QXEWZRGKSA-N	1	0	210.277	-0.243	40	30		BBEBRO
C#C[C@]1(O)CCCC[C@@H]1[NH2+][C@H](C)C(N)=O	ZINC000536553491	323898662	/nfs/dbraw/zinc/89/86/62/323898662.db2.gz	MZCIRKGVJKLXGH-YWVKMMECSA-N	1	0	210.277	-0.243	40	30		BBEBRO
[NH3+]CC#Cc1cnn(CC(=O)N2CCCC2)c1	ZINC000585142720	344176039	/nfs/dbraw/zinc/17/60/39/344176039.db2.gz	AHCAMSDZEAWERC-UHFFFAOYSA-N	1	0	232.287	-0.184	40	30		BBEBRO
CCOC(=O)Cn1cc(C#CC[NH3+])cn1	ZINC000585142820	398282154	/nfs/dbraw/zinc/28/21/54/398282154.db2.gz	GZNHYMBWFLUTIN-UHFFFAOYSA-N	1	0	207.233	-0.244	40	30		BBEBRO
[NH3+]Cc1ncc(C#CCN2CCCC2=O)cn1	ZINC000585144883	343880058	/nfs/dbraw/zinc/88/00/58/343880058.db2.gz	ACAHDQQSPMYRSP-UHFFFAOYSA-N	1	0	230.271	-0.091	40	30		BBEBRO