smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2	ZINC000096048190	185073089	/nfs/dbraw/zinc/07/30/89/185073089.db2.gz	AAEYIAGZNDFJHA-CVEARBPZSA-N	1	0	277.364	2.606	40	30		CFEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccoc1)C2	ZINC000096049997	185074732	/nfs/dbraw/zinc/07/47/32/185074732.db2.gz	GTISTFXHHJIWPK-KRWDZBQOSA-N	1	0	288.391	2.813	40	30		CFEBRO
COc1cccc(Oc2ccc(C)c[n+]2CC(C)=O)c1	ZINC000001578690	371683118	/nfs/dbraw/zinc/68/31/18/371683118.db2.gz	QWNFIWXWQHSHHL-UHFFFAOYSA-N	1	0	272.324	2.672	40	30		CFEBRO
CCC(=O)/C(=C/c1ccccc1)C(=O)[C@H](C)C[NH+](C)C	ZINC000001589330	371685277	/nfs/dbraw/zinc/68/52/77/371685277.db2.gz	VTXHZGOQYNVMSB-LKKYZFDUSA-N	1	0	273.376	2.816	40	30		CFEBRO
C(=N/CCN1CC[NH2+][C@@H]1c1ccccc1)\c1ccccc1	ZINC000019319554	372154635	/nfs/dbraw/zinc/15/46/35/372154635.db2.gz	WXLYTNKFGBSFBI-CMAIMYMYSA-N	1	0	279.387	2.710	40	30		CFEBRO
COc1ccc(/C(C)=N\O)cc1CS[n+]1ccccc1	ZINC000017126988	372128075	/nfs/dbraw/zinc/12/80/75/372128075.db2.gz	OPDAGQYYPYVXEH-VBKFSLOCSA-O	1	0	289.380	2.877	40	30		CFEBRO
CCOC(=O)c1cc[n+]([C@H](C)C(=O)c2ccc(C)cc2)cc1	ZINC000036627574	372583939	/nfs/dbraw/zinc/58/39/39/372583939.db2.gz	CEIPGARHMPRELF-CQSZACIVSA-N	1	0	298.362	2.903	40	30		CFEBRO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C)c(C)o1	ZINC000096184376	375474476	/nfs/dbraw/zinc/47/44/76/375474476.db2.gz	MKZOMKNSTVUTHZ-JKSUJKDBSA-N	1	0	260.381	2.731	40	30		CFEBRO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1	ZINC000096056384	393814690	/nfs/dbraw/zinc/81/46/90/393814690.db2.gz	XFFJJDDZIBPNTN-BZUAXINKSA-N	1	0	277.364	2.604	40	30		CFEBRO
Nc1cc[n+](/C=C/C(=O)c2ccc(Cl)cc2)cc1	ZINC000005750272	170137160	/nfs/dbraw/zinc/13/71/60/170137160.db2.gz	BQCMFHGKYYVJHK-JXMROGBWSA-O	1	0	259.716	2.563	40	30		CFEBRO
C[NH+]1CCC(N=Nc2nc3ccccc3s2)CC1	ZINC000006379309	170196438	/nfs/dbraw/zinc/19/64/38/170196438.db2.gz	YLMFAGVBUKOUBP-UHFFFAOYSA-N	1	0	260.366	2.790	40	30		CFEBRO
C#CCOc1c(C[NH2+]C(C)(C)C)cccc1OCC	ZINC000045945525	175388137	/nfs/dbraw/zinc/38/81/37/175388137.db2.gz	GCRDOVQGBOPPQH-UHFFFAOYSA-N	1	0	261.365	2.985	40	30		CFEBRO
C=CC[N@H+]1CCCC12CCN(C(=O)c1ccoc1C)CC2	ZINC000096063183	185084933	/nfs/dbraw/zinc/08/49/33/185084933.db2.gz	FPIFVGOKWMNSNO-UHFFFAOYSA-N	1	0	288.391	2.845	40	30		CFEBRO
C[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[N+](C)(C)C	ZINC000004064217	295807430	/nfs/dbraw/zinc/80/74/30/295807430.db2.gz	MTKDXEQLJAGGHQ-VLXAULBPSA-N	1	0	268.421	2.839	40	30		CFEBRO
O=C1C[N+]2(CCCCC2)c2ccc(Cl)cc2N1	ZINC000001606226	371686681	/nfs/dbraw/zinc/68/66/81/371686681.db2.gz	LLVVBDLRWOCELW-UHFFFAOYSA-O	1	0	251.737	2.783	40	30		CFEBRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1cc(N)ccc1C#N	ZINC000001661465	371691870	/nfs/dbraw/zinc/69/18/70/371691870.db2.gz	FBASXSODSJYVLL-CHWSQXEVSA-N	1	0	273.380	2.782	40	30		CFEBRO
CCc1ccc(C(=O)/C=C/[n+]2ccc(N(C)C)cc2)cc1	ZINC000004276989	371845873	/nfs/dbraw/zinc/84/58/73/371845873.db2.gz	IBDLFBASDFVIHV-SDNWHVSQSA-N	1	0	281.379	2.956	40	30		CFEBRO
C=CCOc1ccccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000019575166	372175971	/nfs/dbraw/zinc/17/59/71/372175971.db2.gz	YWQQDDFQJRVCQO-WBVHZDCISA-N	1	0	286.419	2.920	40	30		CFEBRO
COc1cccc(/C=C2\CC[C@@H](C[NH+](C)C)C2=O)c1	ZINC000017198775	372129581	/nfs/dbraw/zinc/12/95/81/372129581.db2.gz	QXCONXOZKDRDML-SSUFTNFISA-N	1	0	259.349	2.619	40	30		CFEBRO
CC[C@@H](C#N)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000031343088	372408919	/nfs/dbraw/zinc/40/89/19/372408919.db2.gz	XARCFSHZUKBOAM-HNNXBMFYSA-N	1	0	257.381	2.543	40	30		CFEBRO
CC(C)[N@@H+]1CC[C@H](c2nc3cc(C#N)ccc3[nH]2)C1	ZINC000035446869	372549817	/nfs/dbraw/zinc/54/98/17/372549817.db2.gz	LUAAYVVSEPTZHP-LBPRGKRZSA-N	1	0	254.337	2.632	40	30	biogenic,in-vitro	CFEBRO
C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000073049451	374318779	/nfs/dbraw/zinc/31/87/79/374318779.db2.gz	DIEQOTDNCSAINK-CYBMUJFWSA-N	1	0	274.364	2.532	40	30		CFEBRO
Cc1ccccc1C(=O)NCC#CC[NH+](C(C)C)C(C)C	ZINC000075164444	374466895	/nfs/dbraw/zinc/46/68/95/374466895.db2.gz	OUXKHXYSKHUABM-UHFFFAOYSA-N	1	0	286.419	2.847	40	30		CFEBRO
C=CCN1C(=O)CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(CC)o1	ZINC000096186253	375475786	/nfs/dbraw/zinc/47/57/86/375475786.db2.gz	ZDQWZKXHYFXURY-HOTGVXAUSA-N	1	0	288.391	2.593	40	30		CFEBRO
CC(C)Cc1c(C#N)c(Cl)nc2c1C[N@H+](C)CC2	ZINC000096511126	393835937	/nfs/dbraw/zinc/83/59/37/393835937.db2.gz	MQISKFNDFZFCGT-UHFFFAOYSA-N	1	0	263.772	2.793	40	30		CFEBRO
C[S+](C)CC(=O)c1ccc(Br)cc1	ZINC000004769326	170013769	/nfs/dbraw/zinc/01/37/69/170013769.db2.gz	SUYGSORCLDYBSS-UHFFFAOYSA-N	1	0	260.176	2.510	40	30		CFEBRO
CCC1c2cccn2CC[N+]1=CC(=O)c1ccc(OC)cc1	ZINC000004902885	273602992	/nfs/dbraw/zinc/60/29/92/273602992.db2.gz	KWYUUIXZUPETIS-UHFFFAOYSA-N	1	0	297.378	2.605	40	30		CFEBRO
O=C(CC[N+](=O)Cc1ccccc1)OCc1ccccc1	ZINC000001859181	230367022	/nfs/dbraw/zinc/36/70/22/230367022.db2.gz	HYRXKVXKQWJTBV-AQTBWJFISA-N	1	0	283.327	2.749	40	30		CFEBRO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc(C)s1	ZINC000096041331	185068840	/nfs/dbraw/zinc/06/88/40/185068840.db2.gz	FFKFSEFOABPQQG-JYJNAYRXSA-N	1	0	293.432	2.991	40	30		CFEBRO
CNC(=[NH2+])NN=C(c1ccccc1)c1ccc(Cl)cc1	ZINC000001871536	371710426	/nfs/dbraw/zinc/71/04/26/371710426.db2.gz	MCMIBTBCABVWET-XMHGGMMESA-N	1	0	286.766	2.836	40	30		CFEBRO
COc1ccc(/C=N/[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013756403	372048627	/nfs/dbraw/zinc/04/86/27/372048627.db2.gz	CZTMDZPKDBTDSQ-FFEFNDLDSA-N	1	0	260.381	2.843	40	30		CFEBRO
CN(/N=C\c1ccc(Cl)c(Cl)c1)C1=[NH+]CCCCN1	ZINC000017253834	372131003	/nfs/dbraw/zinc/13/10/03/372131003.db2.gz	GODFYVBRLBQEBU-NVMNQCDNSA-N	1	0	299.205	2.999	40	30		CFEBRO
CC(C)C[N@@H+]1CCC[C@@]2(CCN(c3ccc(C#N)cn3)C2)C1	ZINC000096215295	375479830	/nfs/dbraw/zinc/47/98/30/375479830.db2.gz	OOYRBJKOZATLHI-GOSISDBHSA-N	1	0	298.434	2.902	40	30		CFEBRO
CCCCCCCC[NH2+]CCOCCOCCOC	ZINC000100923868	375630875	/nfs/dbraw/zinc/63/08/75/375630875.db2.gz	QYLHTGJURBOIBS-UHFFFAOYSA-N	1	0	275.433	2.616	40	30		CFEBRO
O=C(CC[N+](=O)Cc1ccccc1)OCc1ccccc1	ZINC000104196144	375773551	/nfs/dbraw/zinc/77/35/51/375773551.db2.gz	HYRXKVXKQWJTBV-QGOAFFKASA-N	1	0	283.327	2.749	40	30		CFEBRO
Cc1ccc(C(=O)/C=C/n2ccc(=[NH2+])cc2)c(C)c1	ZINC000409415808	380957615	/nfs/dbraw/zinc/95/76/15/380957615.db2.gz	XOVOLRYEDXUIQP-JXMROGBWSA-N	1	0	252.317	2.938	40	30		CFEBRO
C=CC[N@@H+](C[C@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000191056501	382689671	/nfs/dbraw/zinc/68/96/71/382689671.db2.gz	JBSFWONWUVKEQT-XHSDSOJGSA-N	1	0	297.464	2.654	40	30		CFEBRO
C=CCN1CC[C@]2(C[N@@H+](Cc3ccsc3)C[C@H]2C)C1=O	ZINC000096201672	393817108	/nfs/dbraw/zinc/81/71/08/393817108.db2.gz	GZUMJLSHLCUZQX-CZUORRHYSA-N	1	0	290.432	2.605	40	30		CFEBRO
C[N@H+]1CCCCCC(=N\O)/C(=N\O)CCCCC1	ZINC000104075577	397595924	/nfs/dbraw/zinc/59/59/24/397595924.db2.gz	FRTSXIXTWLTUNW-PMJBJKLVSA-N	1	0	255.362	2.713	40	30		CFEBRO
CN(C)[P+](Cc1ccccc1)(N(C)C)N(C)C	ZINC000005509138	170105905	/nfs/dbraw/zinc/10/59/05/170105905.db2.gz	JGTUMZJDTJDJJR-UHFFFAOYSA-N	1	0	254.338	2.634	40	30		CFEBRO
CCOC(=O)C[n+]1ccccc1/C=C/c1ccccc1	ZINC000005574999	170115476	/nfs/dbraw/zinc/11/54/76/170115476.db2.gz	VRBVXJNHRDVAOZ-VAWYXSNFSA-N	1	0	268.336	2.708	40	30		CFEBRO
CC(=O)/C(=C\C=C/c1ccccc1)C(=O)CC[NH+](C)C	ZINC000008659520	170344432	/nfs/dbraw/zinc/34/44/32/170344432.db2.gz	XZEKQJUFHQLGSM-MDKZIDAVSA-N	1	0	271.360	2.736	40	30		CFEBRO
Cc1cc(SC(N)=[NH2+])n2c3ccccc3nc2c1C#N	ZINC000076556577	274721207	/nfs/dbraw/zinc/72/12/07/274721207.db2.gz	UYMOSVQTJPQHKD-UHFFFAOYSA-N	1	0	281.344	2.653	40	30		CFEBRO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000012489730	527314200	/nfs/dbraw/zinc/31/42/00/527314200.db2.gz	OASDVQSPONGSRY-JJRVBVJISA-N	1	0	271.360	2.576	40	30		CFEBRO
C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2	ZINC000096039595	185069247	/nfs/dbraw/zinc/06/92/47/185069247.db2.gz	LJDVDWAGLWQZMJ-IAGOWNOFSA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)s1	ZINC000096056515	185077941	/nfs/dbraw/zinc/07/79/41/185077941.db2.gz	QBOCWUQUYJSSMV-HUUCEWRRSA-N	1	0	290.432	2.808	40	30		CFEBRO
N#Cc1ccnc(Nc2nc([C@@H]3CCC[NH2+]3)cs2)c1	ZINC000585292640	348738742	/nfs/dbraw/zinc/73/87/42/348738742.db2.gz	LVYPZLANQBRYML-JTQLQIEISA-N	1	0	271.349	2.578	40	30		CFEBRO
C(=NNC1=[NH+]CCCCN1)c1ccc2ccccc2c1	ZINC000001645644	371691495	/nfs/dbraw/zinc/69/14/95/371691495.db2.gz	CRZIFQBLHXXMCS-XDHOZWIPSA-N	1	0	266.348	2.503	40	30		CFEBRO
COc1ccc(C(=O)C[n+]2ccccc2Cl)cc1	ZINC000001667108	371694112	/nfs/dbraw/zinc/69/41/12/371694112.db2.gz	OGNNOOSQLNMMPY-UHFFFAOYSA-N	1	0	262.716	2.519	40	30		CFEBRO
C=CCOC[C@H](O)C[NH+](CCC(C)C)CCC(C)C	ZINC000005715780	371884088	/nfs/dbraw/zinc/88/40/88/371884088.db2.gz	QMEDGJADQMETLG-MRXNPFEDSA-N	1	0	271.445	2.944	40	30		CFEBRO
CN(C)/C=[NH+]/C1=NN(c2cccc(C(F)(F)F)c2)CC1	ZINC000013152340	372017081	/nfs/dbraw/zinc/01/70/81/372017081.db2.gz	SCBVCOBSFZUCNV-RQZCQDPDSA-N	1	0	284.285	2.819	40	30		CFEBRO
CN(C)CC[N@H+](C)CC(C)(C)C(=O)/C=C\c1ccccc1	ZINC000023477932	372261137	/nfs/dbraw/zinc/26/11/37/372261137.db2.gz	PJQUFKJSEWGUPU-QXMHVHEDSA-N	1	0	288.435	2.789	40	30		CFEBRO
C=CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220821	372358718	/nfs/dbraw/zinc/35/87/18/372358718.db2.gz	OMJDSHVUDUJASX-CQSZACIVSA-N	1	0	292.810	2.854	40	30		CFEBRO
Oc1ccc(/C=N/CC/N=C\c2ccc(O)cc2)cc1	ZINC000104033307	375765274	/nfs/dbraw/zinc/76/52/74/375765274.db2.gz	NCCUCIVXVPMMDU-MJZABRMRSA-N	1	0	268.316	2.636	40	30		CFEBRO
C[C@H]1C[N@H+](C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005358111	170089355	/nfs/dbraw/zinc/08/93/55/170089355.db2.gz	YLUPTEYKJCDJHX-XHCVWTGESA-N	1	0	277.324	2.690	40	30		CFEBRO
CC(C)(C)c1ccc(C(=O)C[n+]2ccncc2)cc1	ZINC000001668842	539328937	/nfs/dbraw/zinc/32/89/37/539328937.db2.gz	OEYOHJJBGQVQSU-UHFFFAOYSA-N	1	0	255.341	2.550	40	30		CFEBRO
N#Cc1ccnc(Nc2nc([C@H]3CCCC[NH2+]3)cs2)c1	ZINC000585292487	348738861	/nfs/dbraw/zinc/73/88/61/348738861.db2.gz	NLSYWUDRQAJDJT-LLVKDONJSA-N	1	0	285.376	2.968	40	30		CFEBRO
CC(=O)/C(=C/C=C/c1ccccc1)C(=O)CC[NH+](C)C	ZINC000001581515	371682757	/nfs/dbraw/zinc/68/27/57/371682757.db2.gz	XZEKQJUFHQLGSM-CRWKAAGYSA-N	1	0	271.360	2.736	40	30		CFEBRO
Cc1[nH]c2ccccc2c1CC[n+]1cccc(C#N)c1	ZINC000001584660	371683644	/nfs/dbraw/zinc/68/36/44/371683644.db2.gz	HLGLMUQMAAMHAH-UHFFFAOYSA-N	1	0	262.336	2.878	40	30		CFEBRO
C=CCOC[C@@H](O)C[NH+](CCC(C)C)CCC(C)C	ZINC000001640258	371690448	/nfs/dbraw/zinc/69/04/48/371690448.db2.gz	QMEDGJADQMETLG-INIZCTEOSA-N	1	0	271.445	2.944	40	30		CFEBRO
CCn1c2ccccc2nc1CCCOCCC#N	ZINC000004426977	371854627	/nfs/dbraw/zinc/85/46/27/371854627.db2.gz	VQSZUELYKZTXSB-UHFFFAOYSA-N	1	0	257.337	2.919	40	30		CFEBRO
N#Cc1ccc(NC(=O)C[NH2+]CC2CCCCC2)cc1	ZINC000004897784	371876382	/nfs/dbraw/zinc/87/63/82/371876382.db2.gz	MTXMJWOWOYPHTC-UHFFFAOYSA-N	1	0	271.364	2.667	40	30		CFEBRO
CC(=O)/C(=C\C=C\c1ccccc1)C(=O)CC[NH+](C)C	ZINC000016940092	372120812	/nfs/dbraw/zinc/12/08/12/372120812.db2.gz	XZEKQJUFHQLGSM-RWZRJOGJSA-N	1	0	271.360	2.736	40	30		CFEBRO
C=CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000073049448	374318727	/nfs/dbraw/zinc/31/87/27/374318727.db2.gz	DIEQOTDNCSAINK-ZDUSSCGKSA-N	1	0	274.364	2.532	40	30		CFEBRO
C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2	ZINC000096039596	375469299	/nfs/dbraw/zinc/46/92/99/375469299.db2.gz	LJDVDWAGLWQZMJ-IRXDYDNUSA-N	1	0	291.391	2.853	40	30		CFEBRO
N=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1	ZINC000225236153	382813570	/nfs/dbraw/zinc/81/35/70/382813570.db2.gz	GBWMLDPCNSUMCA-UHFFFAOYSA-N	1	0	291.698	2.702	40	30		CFEBRO
Cc1ccc(S(=O)(=O)OC2CCC([NH+](C)C)CC2)cc1	ZINC000079436976	292185250	/nfs/dbraw/zinc/18/52/50/292185250.db2.gz	VNUFAVZUYUTQCX-UHFFFAOYSA-N	1	0	297.420	2.573	40	30		CFEBRO
CC[NH+](CC)CCOc1ccc(/C(C)=N/O)cc1	ZINC000004748841	170011018	/nfs/dbraw/zinc/01/10/18/170011018.db2.gz	AOQGEVJQKKBQQP-NTCAYCPXSA-N	1	0	250.342	2.605	40	30		CFEBRO
C[C@H]1C[N@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027506	170057602	/nfs/dbraw/zinc/05/76/02/170057602.db2.gz	BBOGVVJGROGHRN-CYVDBUDESA-N	1	0	278.327	2.699	40	30		CFEBRO
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[N@@H+]1CCc2ccccc2C1	ZINC000016524799	262046865	/nfs/dbraw/zinc/04/68/65/262046865.db2.gz	SDLVVHFSNYGCQD-APBXHAHBSA-N	1	0	256.349	2.673	40	30		CFEBRO
CC[NH+](CC)CC#CCOC(=O)Nc1ccccc1	ZINC000003157207	520568290	/nfs/dbraw/zinc/56/82/90/520568290.db2.gz	HEVCNGHPCDMIHZ-UHFFFAOYSA-N	1	0	260.337	2.580	40	30		CFEBRO
C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2	ZINC000096039592	185068955	/nfs/dbraw/zinc/06/89/55/185068955.db2.gz	ZAHICDYSYFJATM-IRXDYDNUSA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)s1	ZINC000096042018	185070493	/nfs/dbraw/zinc/07/04/93/185070493.db2.gz	FFKFSEFOABPQQG-HRCADAONSA-N	1	0	293.432	2.991	40	30		CFEBRO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C)s1	ZINC000096055801	185075953	/nfs/dbraw/zinc/07/59/53/185075953.db2.gz	FPOHTOUESWXARL-LSDHHAIUSA-N	1	0	262.422	2.891	40	30		CFEBRO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1	ZINC000096056382	185077326	/nfs/dbraw/zinc/07/73/26/185077326.db2.gz	MZQVBRUAQYQDQN-BZUAXINKSA-N	1	0	277.364	2.604	40	30		CFEBRO
Cc1ccc(C=CC(=O)C(CN(C)C)C[NH+](C)C)cc1C	ZINC000001584558	371682995	/nfs/dbraw/zinc/68/29/95/371682995.db2.gz	XSDGPKZRENOEDZ-MDZDMXLPSA-N	1	0	288.435	2.625	40	30		CFEBRO
C[N+]1(C)CCC2=CC(=O)C[C@@H](c3ccccc3)[C@H]2C1	ZINC000001582125	371683363	/nfs/dbraw/zinc/68/33/63/371683363.db2.gz	UYXUMLHNMXEDTP-IRXDYDNUSA-N	1	0	256.369	2.766	40	30		CFEBRO
CCC(=O)/C(=C/c1ccccc1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000001589328	371684818	/nfs/dbraw/zinc/68/48/18/371684818.db2.gz	VTXHZGOQYNVMSB-WZMONFQBSA-N	1	0	273.376	2.816	40	30		CFEBRO
CN1CCC/C1=[NH+]/C(=N\c1ccccc1)N1CCCC1	ZINC000011682038	371925720	/nfs/dbraw/zinc/92/57/20/371925720.db2.gz	UFJFKQGRZLHOBO-PITQLBPFSA-N	1	0	270.380	2.894	40	30		CFEBRO
CC(=O)/C(=C/C=C\c1ccccc1)C(=O)CC[NH+](C)C	ZINC000017131241	372127353	/nfs/dbraw/zinc/12/73/53/372127353.db2.gz	XZEKQJUFHQLGSM-PGWBGFSZSA-N	1	0	271.360	2.736	40	30		CFEBRO
N=C(N)Nc1nc(-c2cccc3ccccc32)cs1	ZINC000020636314	372238960	/nfs/dbraw/zinc/23/89/60/372238960.db2.gz	DHPIXHJPJXJHCM-UHFFFAOYSA-N	1	0	268.345	2.868	40	30		CFEBRO
COc1ccccc1NC(=[NH2+])Nc1ccccc1OC	ZINC000005319575	170085569	/nfs/dbraw/zinc/08/55/69/170085569.db2.gz	SUWFNJNGGZUBSG-UHFFFAOYSA-N	1	0	271.320	2.762	40	30		CFEBRO
C[C@H](CC[N+](C)=O)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C	ZINC000069592643	260261666	/nfs/dbraw/zinc/26/16/66/260261666.db2.gz	DLRRACAJWLHJEU-ONZNTINHSA-N	1	0	253.386	2.801	40	30		CFEBRO
C=C(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000004026772	276855138	/nfs/dbraw/zinc/85/51/38/276855138.db2.gz	NCRJWESTCYMYTR-NNKZFNQJSA-N	1	0	252.378	2.515	40	30		CFEBRO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2	ZINC000096039594	185069403	/nfs/dbraw/zinc/06/94/03/185069403.db2.gz	LJDVDWAGLWQZMJ-SJORKVTESA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2	ZINC000096048202	185072648	/nfs/dbraw/zinc/07/26/48/185072648.db2.gz	SZLCPPFJDJPDNL-IRXDYDNUSA-N	1	0	291.391	2.914	40	30		CFEBRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccoc1)C2	ZINC000096048189	185073448	/nfs/dbraw/zinc/07/34/48/185073448.db2.gz	AAEYIAGZNDFJHA-JKSUJKDBSA-N	1	0	277.364	2.606	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OC)cc1	ZINC000096055802	185075923	/nfs/dbraw/zinc/07/59/23/185075923.db2.gz	WDXJUOPTCGMUJO-DLBZAZTESA-N	1	0	272.392	2.530	40	30		CFEBRO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2	ZINC000107730512	186189477	/nfs/dbraw/zinc/18/94/77/186189477.db2.gz	SZLCPPFJDJPDNL-IAGOWNOFSA-N	1	0	291.391	2.914	40	30		CFEBRO
C=CCc1ccccc1OC[C@H](O)C[N+](C)(C)C(C)C	ZINC000000307853	371584511	/nfs/dbraw/zinc/58/45/11/371584511.db2.gz	LTPNWBALAIEAHJ-MRXNPFEDSA-N	1	0	278.416	2.640	40	30		CFEBRO
O=C(NCC#CC[NH+]1CCCC1)Nc1cccc(Cl)c1	ZINC000001692929	371698292	/nfs/dbraw/zinc/69/82/92/371698292.db2.gz	URLRLHJZHGQXHQ-UHFFFAOYSA-N	1	0	291.782	2.561	40	30		CFEBRO
CC(C)(C)C(=O)C[n+]1cn(C(F)F)c2ccccc21	ZINC000004262836	371845480	/nfs/dbraw/zinc/84/54/80/371845480.db2.gz	ODLGPQTZSYVUNU-UHFFFAOYSA-N	1	0	267.299	2.939	40	30		CFEBRO
O/N=C1/[C@H]([N@@H+]2CCc3ccccc3C2)[C@@H]2CC[C@H]1C2	ZINC000006229591	371888997	/nfs/dbraw/zinc/88/89/97/371888997.db2.gz	SDLVVHFSNYGCQD-MLOUTNQZSA-N	1	0	256.349	2.673	40	30		CFEBRO
Cc1cccc(C(=O)O/N=C2/C[C@H](C)[N@@H+](C)C[C@H]2C)c1	ZINC000013634897	372038089	/nfs/dbraw/zinc/03/80/89/372038089.db2.gz	WSBKLQGARDLANT-OJVXUPTESA-N	1	0	274.364	2.868	40	30		CFEBRO
C=CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216909738	382785155	/nfs/dbraw/zinc/78/51/55/382785155.db2.gz	BIAFPHJUHUOGMU-CYBMUJFWSA-N	1	0	274.364	2.532	40	30		CFEBRO
CCOC(=O)C[n+]1ccccc1/C=C\c1ccccc1	ZINC000004895949	170037484	/nfs/dbraw/zinc/03/74/84/170037484.db2.gz	VRBVXJNHRDVAOZ-QXMHVHEDSA-N	1	0	268.336	2.708	40	30		CFEBRO
CN(C)c1cc[n+](/C=C/C(=O)c2ccc(F)cc2)cc1	ZINC000005525044	170107990	/nfs/dbraw/zinc/10/79/90/170107990.db2.gz	URWZSUDFTTYAIN-FMIVXFBMSA-N	1	0	271.315	2.533	40	30		CFEBRO
CNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1ccccc1-2	ZINC000005573607	170115117	/nfs/dbraw/zinc/11/51/17/170115117.db2.gz	XAQIVBSWXLLCRN-RGVLZGJSSA-N	1	0	278.359	2.726	40	30		CFEBRO
C[NH+](C)C[C@H]1CCCC/C1=N\OC(=O)c1ccccc1	ZINC000018084990	170741866	/nfs/dbraw/zinc/74/18/66/170741866.db2.gz	GWLJOTFLCRATTR-DHSYKJLNSA-N	1	0	274.364	2.951	40	30		CFEBRO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccoc1)C2	ZINC000096048188	185073201	/nfs/dbraw/zinc/07/32/01/185073201.db2.gz	AAEYIAGZNDFJHA-HZPDHXFCSA-N	1	0	277.364	2.606	40	30		CFEBRO
C[NH+]1CCCCCC(=N/O)/C(=N\O)CCCCC1	ZINC000104075582	282753849	/nfs/dbraw/zinc/75/38/49/282753849.db2.gz	FRTSXIXTWLTUNW-DZDAAMPGSA-N	1	0	255.362	2.713	40	30		CFEBRO
C=CC[n+]1c(C)n(CC)c2cc(C(=O)OCC)ccc21	ZINC000000243454	371565624	/nfs/dbraw/zinc/56/56/24/371565624.db2.gz	VFUPKBBYQRCSSV-UHFFFAOYSA-N	1	0	273.356	2.620	40	30		CFEBRO
CCc1ncnc2c1CC[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000096255020	375481348	/nfs/dbraw/zinc/48/13/48/375481348.db2.gz	ZAAIASQMLWSOCV-UHFFFAOYSA-N	1	0	292.386	2.511	40	30		CFEBRO
Cc1cc(C)cc(NC(=N)Nc2ccc([N+](=O)[O-])cn2)c1	ZINC000225236039	382813596	/nfs/dbraw/zinc/81/35/96/382813596.db2.gz	ZHQUVPHAMNJAHQ-UHFFFAOYSA-N	1	0	285.307	2.665	40	30		CFEBRO
C=CCC(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)nc1	ZINC000225942184	382823900	/nfs/dbraw/zinc/82/39/00/382823900.db2.gz	FHVUBGLZWUJJLM-UHFFFAOYSA-N	1	0	291.395	2.563	40	30		CFEBRO
CC[N@H+](Cc1ccncc1)[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965958	285123123	/nfs/dbraw/zinc/12/31/23/285123123.db2.gz	YDIREJZUNLYUOQ-VOQAAIFBSA-N	1	0	259.353	2.532	40	30		CFEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2	ZINC000004824891	170024443	/nfs/dbraw/zinc/02/44/43/170024443.db2.gz	VWPNXOAXLXWARP-JJRVBVJISA-N	1	0	274.384	2.732	40	30		CFEBRO
CNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1ccccc1-2	ZINC000005830860	170144869	/nfs/dbraw/zinc/14/48/69/170144869.db2.gz	XAQIVBSWXLLCRN-JAIQZWGSSA-N	1	0	278.359	2.516	40	30		CFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)c(F)c1	ZINC000017175547	278237504	/nfs/dbraw/zinc/23/75/04/278237504.db2.gz	KCCPYEKUXVMZAM-BXKUYDPTSA-N	1	0	253.292	2.745	40	30		CFEBRO
C=CCN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O	ZINC000096046811	185071109	/nfs/dbraw/zinc/07/11/09/185071109.db2.gz	NIUVRGCSWOASKQ-UHFFFAOYSA-N	1	0	290.432	2.749	40	30		CFEBRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccco1)C2	ZINC000096048181	185073129	/nfs/dbraw/zinc/07/31/29/185073129.db2.gz	UQMAUUUBYRDXCQ-JKSUJKDBSA-N	1	0	277.364	2.606	40	30		CFEBRO
C=CCOCc1cncc2c1CC[N@H+](CC1CC1)C2	ZINC000096059296	185079229	/nfs/dbraw/zinc/07/92/29/185079229.db2.gz	IGXBSWHQFIPQKB-UHFFFAOYSA-N	1	0	258.365	2.552	40	30		CFEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1occc1C)C2	ZINC000096071432	185086788	/nfs/dbraw/zinc/08/67/88/185086788.db2.gz	WXWPPQAKMVESCA-KRWDZBQOSA-N	1	0	288.391	2.845	40	30		CFEBRO
CC(=O)/C(=C/c1cccc(Cl)c1)C(=O)CC[NH+](C)C	ZINC000001590151	371684629	/nfs/dbraw/zinc/68/46/29/371684629.db2.gz	DTVNEEZICKNLLI-UVTDQMKNSA-N	1	0	279.767	2.833	40	30		CFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)c(F)c1	ZINC000001611368	371686519	/nfs/dbraw/zinc/68/65/19/371686519.db2.gz	KCCPYEKUXVMZAM-BREXMAIKSA-N	1	0	253.292	2.745	40	30		CFEBRO
N#Cc1ccc([N+](=O)[O-])cc1OCCC[NH+]1CCCCC1	ZINC000001661276	371692471	/nfs/dbraw/zinc/69/24/71/371692471.db2.gz	KFQHHNCYUDBGGT-UHFFFAOYSA-N	1	0	289.335	2.721	40	30		CFEBRO
O=C(Nc1cccc(Cl)c1)OCC#CC[NH+]1CCCC1	ZINC000001698111	371698123	/nfs/dbraw/zinc/69/81/23/371698123.db2.gz	ARFAGUMSEYHDPD-UHFFFAOYSA-N	1	0	292.766	2.988	40	30		CFEBRO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000004011751	371827675	/nfs/dbraw/zinc/82/76/75/371827675.db2.gz	OASDVQSPONGSRY-JKIFEVAISA-N	1	0	271.360	2.576	40	30		CFEBRO
Cc1ccc(C(=O)/C=C/[n+]2ccc(N(C)C)cc2)cc1	ZINC000004276988	371846204	/nfs/dbraw/zinc/84/62/04/371846204.db2.gz	KOTPCARFGHUBKO-JLHYYAGUSA-N	1	0	267.352	2.702	40	30		CFEBRO
COc1ccc2c(c1)CCCN2c1ccc(NC(N)=[NH2+])cc1	ZINC000005550261	371882473	/nfs/dbraw/zinc/88/24/73/371882473.db2.gz	JYQPLOSODKEUEJ-UHFFFAOYSA-N	1	0	296.374	2.684	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005358107	393461245	/nfs/dbraw/zinc/46/12/45/393461245.db2.gz	YLUPTEYKJCDJHX-XWXLAHMZSA-N	1	0	277.324	2.690	40	30		CFEBRO
C=CCO[C@@H]1CC2(CC[NH2+]CC2)c2cc(OC)ccc21	ZINC000096241868	393816990	/nfs/dbraw/zinc/81/69/90/393816990.db2.gz	NWLUXKUOAKUSHO-MRXNPFEDSA-N	1	0	273.376	2.964	40	30		CFEBRO
CCCCCCC[NH2+]Cc1cnc(NCC)nc1	ZINC000103596288	393857327	/nfs/dbraw/zinc/85/73/27/393857327.db2.gz	SZBBWNOMIZIVGU-UHFFFAOYSA-N	1	0	250.390	2.968	40	30		CFEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C[n+]1ccccc1)C2	ZINC000004824900	170024630	/nfs/dbraw/zinc/02/46/30/170024630.db2.gz	VWPNXOAXLXWARP-GRDNDAEWSA-N	1	0	274.384	2.732	40	30		CFEBRO
C=CCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000038832467	174157228	/nfs/dbraw/zinc/15/72/28/174157228.db2.gz	LOXNUQRTBUBIPI-CQSZACIVSA-N	1	0	272.392	2.834	40	30		CFEBRO
O=C(OCC#CC[NH+]1CCCCC1)c1ccccc1Cl	ZINC000001628100	371689322	/nfs/dbraw/zinc/68/93/22/371689322.db2.gz	OQPSBTBVLXUVBD-UHFFFAOYSA-N	1	0	291.778	2.986	40	30		CFEBRO
C[C@H]1CCCC[N@@H+]1CCCOc1cc(N)ccc1C#N	ZINC000001661191	371692293	/nfs/dbraw/zinc/69/22/93/371692293.db2.gz	XNWLLFHGLHRWMQ-ZDUSSCGKSA-N	1	0	273.380	2.784	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCCCC2)=N\O)o1	ZINC000017175772	372128932	/nfs/dbraw/zinc/12/89/32/372128932.db2.gz	MDPQIDUNVIMHMS-QWUFELPHSA-N	1	0	293.323	2.907	40	30		CFEBRO
C#CCn1c(C)[nH+]c(-c2cccc(Br)c2)c1N	ZINC000100761350	375628104	/nfs/dbraw/zinc/62/81/04/375628104.db2.gz	LEFCWTWUNSNXSL-UHFFFAOYSA-N	1	0	290.164	2.836	40	30		CFEBRO
Cc1ccc(C)c(NC(=N)Nc2ccc([N+](=O)[O-])cn2)c1	ZINC000225235930	382813524	/nfs/dbraw/zinc/81/35/24/382813524.db2.gz	IQUXIKTYSCMPHY-UHFFFAOYSA-N	1	0	285.307	2.665	40	30		CFEBRO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1ccccc1	ZINC000004529922	393458942	/nfs/dbraw/zinc/45/89/42/393458942.db2.gz	VAWATGWXNSYOHD-HRCADAONSA-N	1	0	276.400	2.978	40	30		CFEBRO
O=C(C[n+]1ccccc1)Nc1ccccc1C(F)(F)F	ZINC000004129533	169935903	/nfs/dbraw/zinc/93/59/03/169935903.db2.gz	YQKDQULSANYGFU-UHFFFAOYSA-O	1	0	281.257	2.632	40	30		CFEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccccc1)c1ccccc1	ZINC000004758696	170012444	/nfs/dbraw/zinc/01/24/44/170012444.db2.gz	WKPRTJBTWLBDOQ-QHRGAKLKSA-N	1	0	278.359	2.977	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCCCC2)=N/O)o1	ZINC000005766224	170138250	/nfs/dbraw/zinc/13/82/50/170138250.db2.gz	MDPQIDUNVIMHMS-XXUPZHKPSA-N	1	0	293.323	2.907	40	30		CFEBRO
C=CCSc1ccccc1C(=O)NC1CC[NH+](C)CC1	ZINC000219820752	527009108	/nfs/dbraw/zinc/00/91/08/527009108.db2.gz	BIJLTORNIBWQNM-UHFFFAOYSA-N	1	0	290.432	2.789	40	30		CFEBRO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C)o2)O1	ZINC000096056387	185077987	/nfs/dbraw/zinc/07/79/87/185077987.db2.gz	VTRDIZFTYLLGIJ-BRWVUGGUSA-N	1	0	291.391	2.913	40	30		CFEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2	ZINC000096071443	185086490	/nfs/dbraw/zinc/08/64/90/185086490.db2.gz	WGNZNKDUNBFAMG-GOSISDBHSA-N	1	0	299.418	2.647	40	30		CFEBRO
C[N@@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccncc3)c2C1	ZINC000003169844	283171356	/nfs/dbraw/zinc/17/13/56/283171356.db2.gz	VFZLGHXFDOXUIO-UHFFFAOYSA-N	1	0	282.372	2.666	40	30		CFEBRO
CCOc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1	ZINC000000346350	371590798	/nfs/dbraw/zinc/59/07/98/371590798.db2.gz	VWQPCZQYPZWYOH-UHFFFAOYSA-N	1	0	259.373	2.717	40	30		CFEBRO
C/C(=N/[N+](C)(C)C)c1ccc(Br)cc1	ZINC000005831446	170145105	/nfs/dbraw/zinc/14/51/05/170145105.db2.gz	YNGAEOAYJKRLDK-LCYFTJDESA-N	1	0	256.167	2.879	40	30		CFEBRO
C[C@H](CC[N+](C)=O)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C	ZINC000069592648	260261745	/nfs/dbraw/zinc/26/17/45/260261745.db2.gz	DLRRACAJWLHJEU-NFZYLGLNSA-N	1	0	253.386	2.801	40	30		CFEBRO
C[NH+](C)C[C@H]1CCCC/C1=N/OC(=O)c1ccccc1	ZINC000104281801	276802242	/nfs/dbraw/zinc/80/22/42/276802242.db2.gz	GWLJOTFLCRATTR-XEVXXXDWSA-N	1	0	274.364	2.951	40	30		CFEBRO
N#Cc1ccc(Nc2cccc([C@H]3CCC[NH2+]3)n2)cn1	ZINC000585291144	348738637	/nfs/dbraw/zinc/73/86/37/348738637.db2.gz	LAMGEWULAFQIJQ-CYBMUJFWSA-N	1	0	265.320	2.516	40	30		CFEBRO
C#CC[N+](C)(C)CC(=O)c1cccc2ccccc21	ZINC000003155254	371776035	/nfs/dbraw/zinc/77/60/35/371776035.db2.gz	ZBANWHSZDXRXLL-UHFFFAOYSA-N	1	0	252.337	2.732	40	30		CFEBRO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000004011750	371827192	/nfs/dbraw/zinc/82/71/92/371827192.db2.gz	OASDVQSPONGSRY-CKEIUWERSA-N	1	0	271.360	2.576	40	30		CFEBRO
C=CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220826	372358847	/nfs/dbraw/zinc/35/88/47/372358847.db2.gz	OMJDSHVUDUJASX-AWEZNQCLSA-N	1	0	292.810	2.854	40	30		CFEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1	ZINC000035446833	372550483	/nfs/dbraw/zinc/55/04/83/372550483.db2.gz	NVIGSZZBWGTLSB-LBPRGKRZSA-N	1	0	266.348	2.776	40	30	biogenic,in-vitro	CFEBRO
C#CCn1c(C)[nH+]c(-c2ccc(Br)cc2)c1N	ZINC000100761363	375628384	/nfs/dbraw/zinc/62/83/84/375628384.db2.gz	XLUQHOHMOWHFGI-UHFFFAOYSA-N	1	0	290.164	2.836	40	30		CFEBRO
C[NH+](C)CC#CC1(O)c2ccccc2CCc2ccccc21	ZINC000001560498	393452500	/nfs/dbraw/zinc/45/25/00/393452500.db2.gz	CKSWGCQQSVSVMD-UHFFFAOYSA-N	1	0	291.394	2.586	40	30		CFEBRO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1	ZINC000008299986	393468265	/nfs/dbraw/zinc/46/82/65/393468265.db2.gz	YUZZACSOTBIUGP-CWRNSKLLSA-N	1	0	276.424	2.579	40	30	biogenic,in-vitro	CFEBRO
Fc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1	ZINC000019835409	393483769	/nfs/dbraw/zinc/48/37/69/393483769.db2.gz	XQWPPFJWBZMAGP-ZHZULCJRSA-N	1	0	297.377	2.977	40	30		CFEBRO
CC(C)(S)C[NH2+]CCSC(=O)c1ccccc1	ZINC000005008938	170054684	/nfs/dbraw/zinc/05/46/84/170054684.db2.gz	ZFWJTGCTOYYUDF-UHFFFAOYSA-N	1	0	269.435	2.858	40	30		CFEBRO
COc1cccc(/C=C\C(=O)CC[NH+]2CCCC2)c1OC	ZINC000008580974	170341936	/nfs/dbraw/zinc/34/19/36/170341936.db2.gz	KPVKQTGKDLYJPS-HJWRWDBZSA-N	1	0	289.375	2.772	40	30		CFEBRO
N#Cc1c(N)n(-c2cc[nH+]cc2)nc1-c1ccccc1F	ZINC000039955006	174178269	/nfs/dbraw/zinc/17/82/69/174178269.db2.gz	ZGNGADUYJJRLEP-UHFFFAOYSA-N	1	0	279.278	2.527	40	30		CFEBRO
CC(=O)/C(=C\c1cccc(Cl)c1)C(=O)CC[NH+](C)C	ZINC000008655492	526386527	/nfs/dbraw/zinc/38/65/27/526386527.db2.gz	DTVNEEZICKNLLI-GXDHUFHOSA-N	1	0	279.767	2.833	40	30		CFEBRO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)s1	ZINC000096041508	185070518	/nfs/dbraw/zinc/07/05/18/185070518.db2.gz	FFKFSEFOABPQQG-ARFHVFGLSA-N	1	0	293.432	2.991	40	30		CFEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccco1)C2	ZINC000096049993	185075062	/nfs/dbraw/zinc/07/50/62/185075062.db2.gz	DPVQJQPWMSFULR-KRWDZBQOSA-N	1	0	288.391	2.813	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000096083008	185093169	/nfs/dbraw/zinc/09/31/69/185093169.db2.gz	FNODERFOAYOPLH-JKSUJKDBSA-N	1	0	260.356	2.660	40	30		CFEBRO
N#Cc1ccnc(Nc2nc([C@H]3CCC[NH2+]3)cs2)c1	ZINC000585292641	348738930	/nfs/dbraw/zinc/73/89/30/348738930.db2.gz	LVYPZLANQBRYML-SNVBAGLBSA-N	1	0	271.349	2.578	40	30		CFEBRO
O=C(C[n+]1ccccc1)c1ccc2ccccc2c1O	ZINC000001666270	371693861	/nfs/dbraw/zinc/69/38/61/371693861.db2.gz	KRRZETHMGCOBTF-UHFFFAOYSA-O	1	0	264.304	2.716	40	30		CFEBRO
CN(C)c1ccc([N+](=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000004235555	371843930	/nfs/dbraw/zinc/84/39/30/371843930.db2.gz	IKNFHMHDURQCKV-BOPFTXTBSA-N	1	0	285.303	2.922	40	30		CFEBRO
Cc1ccc(-c2nc(C#N)c(N3CCC[N@@H+](C)CC3)o2)cc1	ZINC000094992886	393810141	/nfs/dbraw/zinc/81/01/41/393810141.db2.gz	XUDNCVONUQRGNA-UHFFFAOYSA-N	1	0	296.374	2.664	40	30		CFEBRO
C=CCc1ccccc1OC[C@@H](O)C[N+](C)(C)C(C)C	ZINC000005003995	170053664	/nfs/dbraw/zinc/05/36/64/170053664.db2.gz	LTPNWBALAIEAHJ-INIZCTEOSA-N	1	0	278.416	2.640	40	30		CFEBRO
O=C1c2ccccc2C2=C1N(O)[C@H]1CCCCC[C@H]1[N+]2=O	ZINC000006231053	170184057	/nfs/dbraw/zinc/18/40/57/170184057.db2.gz	QCWXTHIBXDIRIR-OLZOCXBDSA-N	1	0	285.323	2.737	40	30		CFEBRO
COC(=O)c1[nH]c2ccc(Cl)cc2c1/[NH+]=C/N(C)C	ZINC000101967096	273998003	/nfs/dbraw/zinc/99/80/03/273998003.db2.gz	KUAOBOMFELAUKM-VIZOYTHASA-N	1	0	279.727	2.829	40	30		CFEBRO
C[N+]1(C)CCC2=CC(=O)C[C@H](c3ccccc3)[C@@H]2C1	ZINC000001582127	300876562	/nfs/dbraw/zinc/87/65/62/300876562.db2.gz	UYXUMLHNMXEDTP-IAGOWNOFSA-N	1	0	256.369	2.766	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCCCC2)=N\O)o1	ZINC000008652750	230370590	/nfs/dbraw/zinc/37/05/90/230370590.db2.gz	MDPQIDUNVIMHMS-LPTHAUBOSA-N	1	0	293.323	2.907	40	30		CFEBRO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2	ZINC000096039590	185069667	/nfs/dbraw/zinc/06/96/67/185069667.db2.gz	ZAHICDYSYFJATM-SJORKVTESA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2	ZINC000096048191	185073234	/nfs/dbraw/zinc/07/32/34/185073234.db2.gz	AAEYIAGZNDFJHA-HOTGVXAUSA-N	1	0	277.364	2.606	40	30		CFEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccoc1)C2	ZINC000096049998	185073851	/nfs/dbraw/zinc/07/38/51/185073851.db2.gz	GTISTFXHHJIWPK-QGZVFWFLSA-N	1	0	288.391	2.813	40	30		CFEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)o1)C2	ZINC000096071438	185087134	/nfs/dbraw/zinc/08/71/34/185087134.db2.gz	ITDIMSIBTLPWHH-KRWDZBQOSA-N	1	0	288.391	2.845	40	30		CFEBRO
O=C(C[n+]1ccsc1Br)c1ccccc1	ZINC000001579170	371683523	/nfs/dbraw/zinc/68/35/23/371683523.db2.gz	WPQXRUMTHLUXBK-UHFFFAOYSA-N	1	0	283.170	2.681	40	30		CFEBRO
COc1cccc(/C=C/C(=O)CC[NH+]2CCCC2)c1OC	ZINC000001724387	371703651	/nfs/dbraw/zinc/70/36/51/371703651.db2.gz	KPVKQTGKDLYJPS-CMDGGOBGSA-N	1	0	289.375	2.772	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556354	372031585	/nfs/dbraw/zinc/03/15/85/372031585.db2.gz	YLUPTEYKJCDJHX-NFYHWTQCSA-N	1	0	277.324	2.690	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556353	372032542	/nfs/dbraw/zinc/03/25/42/372032542.db2.gz	YLUPTEYKJCDJHX-NYFCXMLFSA-N	1	0	277.324	2.690	40	30		CFEBRO
CN(/N=C\c1ccc2ccccc2c1)C1=[NH+]CCCCN1	ZINC000017258510	372131422	/nfs/dbraw/zinc/13/14/22/372131422.db2.gz	DVRZWFOEJOQPHX-MOSHPQCFSA-N	1	0	280.375	2.845	40	30		CFEBRO
C(=NNC1=[NH+]CCCCN1)c1ccc2ccccc2c1	ZINC000031862399	372421062	/nfs/dbraw/zinc/42/10/62/372421062.db2.gz	CRZIFQBLHXXMCS-UNOMPAQXSA-N	1	0	266.348	2.503	40	30		CFEBRO
CCOC(=O)c1cc[n+]([C@@H](C)C(=O)c2ccc(C)cc2)cc1	ZINC000036627573	372583718	/nfs/dbraw/zinc/58/37/18/372583718.db2.gz	CEIPGARHMPRELF-AWEZNQCLSA-N	1	0	298.362	2.903	40	30		CFEBRO
C=CCN1C(=O)CCCC12CC[NH+](CC(C)C)CC2	ZINC000096158603	375470192	/nfs/dbraw/zinc/47/01/92/375470192.db2.gz	HVBMHJBGNXMIHQ-UHFFFAOYSA-N	1	0	264.413	2.676	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(CC)o1	ZINC000096184324	375475044	/nfs/dbraw/zinc/47/50/44/375475044.db2.gz	MPIDIQYBZKAZOT-JKSUJKDBSA-N	1	0	260.381	2.677	40	30		CFEBRO
C(=[NH+]\C1CCCCC1)\c1ccc(N2CCOCC2)o1	ZINC000409009243	380954027	/nfs/dbraw/zinc/95/40/27/380954027.db2.gz	CIHSJOXFQAESIS-VBKFSLOCSA-N	1	0	262.353	2.868	40	30		CFEBRO
Cc1ccc(NC(=N)Nc2ccc([N+](=O)[O-])cn2)cc1C	ZINC000225235991	382813378	/nfs/dbraw/zinc/81/33/78/382813378.db2.gz	GQKOJQJYVURGHN-UHFFFAOYSA-N	1	0	285.307	2.665	40	30		CFEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1cccc(C)n1)C2	ZINC000096214696	393817376	/nfs/dbraw/zinc/81/73/76/393817376.db2.gz	YUTWPBGKEPZTTB-GOSISDBHSA-N	1	0	299.418	2.647	40	30		CFEBRO
CN(N=Cc1ccccc1)C(=[NH2+])Nc1ccccc1	ZINC000005707187	170131610	/nfs/dbraw/zinc/13/16/10/170131610.db2.gz	GXGRPHHDCSXVTP-ATVHPVEESA-N	1	0	252.321	2.599	40	30		CFEBRO
Cc1ccc(C#N)c(SCC[C@H]2CCC[N@H+]2C)n1	ZINC000006388007	170197276	/nfs/dbraw/zinc/19/72/76/170197276.db2.gz	RZTGLWWWMAGQMH-CYBMUJFWSA-N	1	0	261.394	2.838	40	30		CFEBRO
C[NH+]1CCC(N=Nc2ccc(Br)cc2)CC1	ZINC000006792190	170244297	/nfs/dbraw/zinc/24/42/97/170244297.db2.gz	QZXKLBIBRKTPLA-UHFFFAOYSA-N	1	0	282.185	2.943	40	30		CFEBRO
C[N+]1(C)CCC2=CC(=O)C[C@H](c3ccccc3)[C@H]2C1	ZINC000001582126	280177546	/nfs/dbraw/zinc/17/75/46/280177546.db2.gz	UYXUMLHNMXEDTP-SJORKVTESA-N	1	0	256.369	2.766	40	30		CFEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccco1)C2	ZINC000096049994	185074285	/nfs/dbraw/zinc/07/42/85/185074285.db2.gz	DPVQJQPWMSFULR-QGZVFWFLSA-N	1	0	288.391	2.813	40	30		CFEBRO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1sccc1C	ZINC000096065700	185084104	/nfs/dbraw/zinc/08/41/04/185084104.db2.gz	RNZKOLYFJARJLO-DZKIICNBSA-N	1	0	293.432	2.991	40	30		CFEBRO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)cn1	ZINC000585291145	348738736	/nfs/dbraw/zinc/73/87/36/348738736.db2.gz	LAMGEWULAFQIJQ-ZDUSSCGKSA-N	1	0	265.320	2.516	40	30		CFEBRO
CCCCCCCCCC[N+](C)(C)C[C@@H](O)CO	ZINC000001566469	371681367	/nfs/dbraw/zinc/68/13/67/371681367.db2.gz	QETRTSPCNIAWCR-OAHLLOKOSA-N	1	0	260.442	2.557	40	30		CFEBRO
C=C[C@H]1CCC[N+]1(CC(=O)OCC)Cc1ccccc1	ZINC000001635366	371690541	/nfs/dbraw/zinc/69/05/41/371690541.db2.gz	JDANAFGMKSPXRI-ATNAJCNCSA-N	1	0	274.384	2.915	40	30		CFEBRO
Cc1cccc(C(=O)O/N=C2/C[C@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000003900672	371824117	/nfs/dbraw/zinc/82/41/17/371824117.db2.gz	WSBKLQGARDLANT-TWWIOWFMSA-N	1	0	274.364	2.868	40	30		CFEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccccc1)c1ccccc1	ZINC000017002857	372125003	/nfs/dbraw/zinc/12/50/03/372125003.db2.gz	WKPRTJBTWLBDOQ-OLVUBZDSSA-N	1	0	278.359	2.977	40	30		CFEBRO
CN1CCC/C1=[NH+]\C(=N/c1ccccc1)N1CCCC1	ZINC000104228864	375775250	/nfs/dbraw/zinc/77/52/50/375775250.db2.gz	UFJFKQGRZLHOBO-UNXSSPOQSA-N	1	0	270.380	2.894	40	30		CFEBRO
COc1ccc(/C=N/[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785712	170017297	/nfs/dbraw/zinc/01/72/97/170017297.db2.gz	CZTMDZPKDBTDSQ-VNYCVXIASA-N	1	0	260.381	2.843	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027504	170057889	/nfs/dbraw/zinc/05/78/89/170057889.db2.gz	BBOGVVJGROGHRN-YPLHQEGJSA-N	1	0	278.327	2.699	40	30		CFEBRO
CN(N=Cc1ccccc1)C(=[NH2+])Nc1ccccc1	ZINC000006371779	170195475	/nfs/dbraw/zinc/19/54/75/170195475.db2.gz	GXGRPHHDCSXVTP-SFQUDFHCSA-N	1	0	252.321	2.599	40	30		CFEBRO
N#Cc1c(N)n(-c2cc[nH+]cc2)nc1-c1cccc(F)c1	ZINC000039955065	174178534	/nfs/dbraw/zinc/17/85/34/174178534.db2.gz	QFQCXMNPFSSDAF-UHFFFAOYSA-N	1	0	279.278	2.527	40	30		CFEBRO
C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2	ZINC000096039591	185069488	/nfs/dbraw/zinc/06/94/88/185069488.db2.gz	ZAHICDYSYFJATM-IAGOWNOFSA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2	ZINC000096048183	185072353	/nfs/dbraw/zinc/07/23/53/185072353.db2.gz	UQMAUUUBYRDXCQ-HOTGVXAUSA-N	1	0	277.364	2.606	40	30		CFEBRO
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCC[NH2+]2)n1	ZINC000585290918	348738780	/nfs/dbraw/zinc/73/87/80/348738780.db2.gz	XUWCSVINGVZLEM-CQSZACIVSA-N	1	0	294.362	2.610	40	30		CFEBRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2	ZINC000004365277	371852753	/nfs/dbraw/zinc/85/27/53/371852753.db2.gz	SUHTUPXNWQUHMA-FMKPAKJESA-N	1	0	265.421	2.818	40	30		CFEBRO
CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)CC[NH+](C)C	ZINC000016939774	372121240	/nfs/dbraw/zinc/12/12/40/372121240.db2.gz	DGPDWMMWIGHZLO-GXDHUFHOSA-N	1	0	279.767	2.833	40	30		CFEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccccc1)c1ccccc1	ZINC000017324898	372132632	/nfs/dbraw/zinc/13/26/32/372132632.db2.gz	WKPRTJBTWLBDOQ-QKCLPKCGSA-N	1	0	278.359	2.768	40	30		CFEBRO
CN(C)CC[N@H+](C)CC(C)(C)C(=O)/C=C/c1ccccc1	ZINC000019364908	372156379	/nfs/dbraw/zinc/15/63/79/372156379.db2.gz	PJQUFKJSEWGUPU-VAWYXSNFSA-N	1	0	288.435	2.789	40	30		CFEBRO
CC[NH+]1CCN(c2nc3c(C)ccc(C)c3cc2C#N)CC1	ZINC000035290526	372548348	/nfs/dbraw/zinc/54/83/48/372548348.db2.gz	GYUQFSAWUFZKBU-UHFFFAOYSA-N	1	0	294.402	2.865	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1	ZINC000096184337	375476085	/nfs/dbraw/zinc/47/60/85/375476085.db2.gz	OCADXWBVOIXMDU-LSDHHAIUSA-N	1	0	290.794	2.815	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C(=[NH+]/c2ccccc2)N2CC2)cc1	ZINC000102798491	375693401	/nfs/dbraw/zinc/69/34/01/375693401.db2.gz	SNPULEFLJPSWHU-NXVVXOECSA-N	1	0	267.288	2.989	40	30		CFEBRO
[NH2+]=c1ccn(/C=C/C(=O)c2ccc(Cl)cc2)cc1	ZINC000409415805	380957582	/nfs/dbraw/zinc/95/75/82/380957582.db2.gz	BQCMFHGKYYVJHK-JXMROGBWSA-N	1	0	258.708	2.975	40	30		CFEBRO
Cc1ccc(NC(=N)Nc2ccc([N+](=O)[O-])cn2)c(C)c1	ZINC000225235882	382813601	/nfs/dbraw/zinc/81/36/01/382813601.db2.gz	NMEXZCHARXAQIZ-UHFFFAOYSA-N	1	0	285.307	2.665	40	30		CFEBRO
CCOC(=O)C[n+]1ccc(/C=C\c2ccccc2)cc1	ZINC000004895950	170037437	/nfs/dbraw/zinc/03/74/37/170037437.db2.gz	OCNUTEPEXQDXAN-HJWRWDBZSA-N	1	0	268.336	2.708	40	30		CFEBRO
C[NH+](C)CCCCN=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000005179605	170074166	/nfs/dbraw/zinc/07/41/66/170074166.db2.gz	XVWLEKVJMMJVCX-AUWJEWJLSA-N	1	0	284.747	2.988	40	30		CFEBRO
C=C(C)CN(CC(=C)C)C(=[NH2+])OC[C@H]1CCCO1	ZINC000005426833	170098289	/nfs/dbraw/zinc/09/82/89/170098289.db2.gz	IHQKLPHKVUQNON-CYBMUJFWSA-N	1	0	252.358	2.571	40	30		CFEBRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2	ZINC000005705986	170131258	/nfs/dbraw/zinc/13/12/58/170131258.db2.gz	VWPNXOAXLXWARP-CPUCHLNUSA-N	1	0	274.384	2.732	40	30		CFEBRO
CCN(CC)C(=[NH2+])Nc1nc(C)c2cc(Cl)ccc2n1	ZINC000006593945	170217482	/nfs/dbraw/zinc/21/74/82/170217482.db2.gz	BHYDPGREZKSONA-UHFFFAOYSA-N	1	0	291.786	2.880	40	30		CFEBRO
COc1ccc(CC[NH2+]CC#Cc2ccccc2)cc1OC	ZINC000008493563	170338184	/nfs/dbraw/zinc/33/81/84/170338184.db2.gz	UYMATTBUARITGK-UHFFFAOYSA-N	1	0	295.382	2.888	40	30		CFEBRO
O=[N+](C(F)(F)F)C(F)(F)C(F)(F)N(O)C(F)(F)F	ZINC000334160151	534974013	/nfs/dbraw/zinc/97/40/13/534974013.db2.gz	FYPULWDBOIHCFV-UHFFFAOYSA-N	1	0	299.044	2.682	40	30		CFEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccccn1)C2	ZINC000096050012	185074749	/nfs/dbraw/zinc/07/47/49/185074749.db2.gz	UEDBFHBZGRFCGY-GOSISDBHSA-N	1	0	299.418	2.615	40	30		CFEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(Cc1c(C)noc1C)C2	ZINC000096071461	185087009	/nfs/dbraw/zinc/08/70/09/185087009.db2.gz	IBURBGPTAPUWCJ-QGZVFWFLSA-N	1	0	289.423	2.908	40	30		CFEBRO
C=CCOCc1nn(C(C)C)c2c1CC[N@@H+](CC1CC1)C2	ZINC000096085020	185091974	/nfs/dbraw/zinc/09/19/74/185091974.db2.gz	VLGVOTVCNNLZCT-UHFFFAOYSA-N	1	0	289.423	2.935	40	30		CFEBRO
N#Cc1ccnc(Nc2nc([C@@H]3CCCC[NH2+]3)cs2)c1	ZINC000585292488	348738824	/nfs/dbraw/zinc/73/88/24/348738824.db2.gz	NLSYWUDRQAJDJT-NSHDSACASA-N	1	0	285.376	2.968	40	30		CFEBRO
C[N@@H+]1CCC[C@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1	ZINC000585100779	348734134	/nfs/dbraw/zinc/73/41/34/348734134.db2.gz	WEZXYHXTTZIUOY-SFHVURJKSA-N	1	0	297.402	2.649	40	30		CFEBRO
C=CC[n+]1c(C)n(CC)c2ccc(C(=O)OCC)cc21	ZINC000000243453	371566295	/nfs/dbraw/zinc/56/62/95/371566295.db2.gz	BVPIGWWCEKKGLO-UHFFFAOYSA-N	1	0	273.356	2.620	40	30		CFEBRO
CC(=O)/C(=C/c1ccccc1Cl)C(=O)CC[NH+](C)C	ZINC000001589326	371685393	/nfs/dbraw/zinc/68/53/93/371685393.db2.gz	ZAGPJIGQCPZZBH-RAXLEYEMSA-N	1	0	279.767	2.833	40	30		CFEBRO
CCOC(=O)C[n+]1c(C)cc(-c2ccccc2)cc1C	ZINC000001598315	371686683	/nfs/dbraw/zinc/68/66/83/371686683.db2.gz	QOKYIZVNKIKCJY-UHFFFAOYSA-N	1	0	270.352	2.821	40	30		CFEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccnc1)C2	ZINC000096050013	375469159	/nfs/dbraw/zinc/46/91/59/375469159.db2.gz	AGBNDJRYSVNUAR-SFHVURJKSA-N	1	0	299.418	2.615	40	30		CFEBRO
Oc1ccc(/C=N\CC/N=C\c2ccc(O)cc2)cc1	ZINC000104033299	375765340	/nfs/dbraw/zinc/76/53/40/375765340.db2.gz	NCCUCIVXVPMMDU-WHYMJUELSA-N	1	0	268.316	2.636	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)c(F)c1	ZINC000096184372	256805985	/nfs/dbraw/zinc/80/59/85/256805985.db2.gz	QNZMJNDYICFKCP-JKSUJKDBSA-N	1	0	288.366	2.609	40	30		CFEBRO
C[C@@H]1CCCC[N@@H+]1CCOc1cc([N+](=O)[O-])ccc1C#N	ZINC000004768938	170014217	/nfs/dbraw/zinc/01/42/17/170014217.db2.gz	SCKAQSZHUWKIHF-GFCCVEGCSA-N	1	0	289.335	2.720	40	30		CFEBRO
C[NH+](C)C[C@@H]1CCC/C1=N/OC(=O)c1ccccc1	ZINC000005808148	170142064	/nfs/dbraw/zinc/14/20/64/170142064.db2.gz	BPNOHIZSXDLBDZ-YXNALHSASA-N	1	0	260.337	2.561	40	30		CFEBRO
Cc1ccc(C#N)c(SCC[C@@H]2CCC[N@H+]2C)n1	ZINC000006388004	170197339	/nfs/dbraw/zinc/19/73/39/170197339.db2.gz	RZTGLWWWMAGQMH-ZDUSSCGKSA-N	1	0	261.394	2.838	40	30		CFEBRO
COc1ccc(CC[NH2+]CC#Cc2ccccc2)cc1	ZINC000008474264	170337487	/nfs/dbraw/zinc/33/74/87/170337487.db2.gz	LBGUCOHHZVXJTJ-UHFFFAOYSA-N	1	0	265.356	2.879	40	30		CFEBRO
C=CCOc1ccc(C[NH2+]CCN(CC)CC)cc1OC	ZINC000022075892	171352124	/nfs/dbraw/zinc/35/21/24/171352124.db2.gz	CEVWLWPPZVUCRM-UHFFFAOYSA-N	1	0	292.423	2.691	40	30		CFEBRO
C[N+]1(C)CCC2=CC(=O)C[C@@H](c3ccccc3)[C@@H]2C1	ZINC000104228658	280177842	/nfs/dbraw/zinc/17/78/42/280177842.db2.gz	UYXUMLHNMXEDTP-DLBZAZTESA-N	1	0	256.369	2.766	40	30		CFEBRO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1sccc1C	ZINC000097953736	526821697	/nfs/dbraw/zinc/82/16/97/526821697.db2.gz	RNZKOLYFJARJLO-OFQRWUPVSA-N	1	0	293.432	2.991	40	30		CFEBRO
CC(C)NC(=O)c1ccc(C[N+](=O)Cc2ccccc2)cc1	ZINC000001561337	527721819	/nfs/dbraw/zinc/72/18/19/527721819.db2.gz	IUQXGSBEEYVTMT-NDENLUEZSA-N	1	0	296.370	2.954	40	30		CFEBRO
CC[N@H+](Cc1ccncc1)[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965961	528861957	/nfs/dbraw/zinc/86/19/57/528861957.db2.gz	YDIREJZUNLYUOQ-RHVPDAKCSA-N	1	0	259.353	2.532	40	30		CFEBRO
C=CCOCc1cncc2c1CC[N@H+](Cc1ccncc1)C2	ZINC000096059286	185078738	/nfs/dbraw/zinc/07/87/38/185078738.db2.gz	DCMADSTWFAPWEY-UHFFFAOYSA-N	1	0	295.386	2.738	40	30		CFEBRO
CCCCCCCCCCC[NH+](CCO)CCO	ZINC000100077083	185704079	/nfs/dbraw/zinc/70/40/79/185704079.db2.gz	IJPXXOVHDMEUSR-UHFFFAOYSA-N	1	0	259.434	2.804	40	30		CFEBRO
Cc1ccccc1C(=O)ONC(=[NH2+])Cc1ccccc1	ZINC000226102579	348181535	/nfs/dbraw/zinc/18/15/35/348181535.db2.gz	OTBKLYRPPKLDNS-UHFFFAOYSA-N	1	0	268.316	2.667	40	30		CFEBRO
N#Cc1c2ccccc2cc[n+]1Cc1ccc2c(c1)OCO2	ZINC000001578098	371682563	/nfs/dbraw/zinc/68/25/63/371682563.db2.gz	HMIUTQCTTPAWCD-UHFFFAOYSA-N	1	0	289.314	2.776	40	30		CFEBRO
CCOc1ccc(/C=N/[N+](C)(C)C)cc1OCC	ZINC000001637931	371690215	/nfs/dbraw/zinc/69/02/15/371690215.db2.gz	NANDXZYTCQTHRT-RVDMUPIBSA-N	1	0	251.350	2.524	40	30		CFEBRO
C[C@H]1C[N@H+](C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]	ZINC000004866606	371875617	/nfs/dbraw/zinc/87/56/17/371875617.db2.gz	UQBBTDSGUQJIBT-GTNCLJFYSA-N	1	0	277.324	2.690	40	30		CFEBRO
C=CCn1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C	ZINC000019554440	372173138	/nfs/dbraw/zinc/17/31/38/372173138.db2.gz	UGDBCOZNPYYOPH-SJORKVTESA-N	1	0	289.423	2.505	40	30		CFEBRO
C=CCn1ncc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C	ZINC000019554443	372173453	/nfs/dbraw/zinc/17/34/53/372173453.db2.gz	UGDBCOZNPYYOPH-IAGOWNOFSA-N	1	0	289.423	2.505	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCCCC2)=N/O)o1	ZINC000016952562	372122842	/nfs/dbraw/zinc/12/28/42/372122842.db2.gz	MDPQIDUNVIMHMS-FKHNQRRLSA-N	1	0	293.323	2.907	40	30		CFEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N/OC(=O)c1ccccc1	ZINC000017194582	372129083	/nfs/dbraw/zinc/12/90/83/372129083.db2.gz	GWLJOTFLCRATTR-MBUFOBGISA-N	1	0	274.364	2.951	40	30		CFEBRO
O=CC1C[NH+](C(c2ccccc2)c2ccccc2)C1	ZINC000100079959	375613098	/nfs/dbraw/zinc/61/30/98/375613098.db2.gz	HMXVLPIZABNUPW-UHFFFAOYSA-N	1	0	251.329	2.907	40	30		CFEBRO
CCCCCC/N=C\c1c(O)c(C)ncc1CO	ZINC000104390849	375781702	/nfs/dbraw/zinc/78/17/02/375781702.db2.gz	OGIVABLAEYJRAV-DHDCSXOGSA-N	1	0	250.342	2.587	40	30		CFEBRO
CC(C)(C)/[NH+]=C(/Cc1ccccc1)N1CCOCC1	ZINC000104210615	375773340	/nfs/dbraw/zinc/77/33/40/375773340.db2.gz	NSLOWRCOXSCBHE-ICFOKQHNSA-N	1	0	260.381	2.758	40	30		CFEBRO
CC1(C)CC(Nc2ccc(N)cc2C#N)CC(C)(C)[NH2+]1	ZINC000408712760	380943975	/nfs/dbraw/zinc/94/39/75/380943975.db2.gz	OECSKEYLGRHXLA-UHFFFAOYSA-N	1	0	272.396	2.862	40	30		CFEBRO
C=CCO[C@H]1CC2(CC[NH2+]CC2)c2cc(OC)ccc21	ZINC000096241867	393817170	/nfs/dbraw/zinc/81/71/70/393817170.db2.gz	NWLUXKUOAKUSHO-INIZCTEOSA-N	1	0	273.376	2.964	40	30		CFEBRO
COc1ccc(Cl)cc1NC(=O)C[n+]1cccc(C)c1	ZINC000004129534	169935842	/nfs/dbraw/zinc/93/58/42/169935842.db2.gz	KJSSEXRHJWEJGV-UHFFFAOYSA-O	1	0	291.758	2.583	40	30		CFEBRO
COc1ccccc1CN/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000020761973	171272306	/nfs/dbraw/zinc/27/23/06/171272306.db2.gz	BJJOQRSWAGXOCA-LDADJPATSA-N	1	0	283.375	2.885	40	30		CFEBRO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccco1)C2	ZINC000096048180	185073675	/nfs/dbraw/zinc/07/36/75/185073675.db2.gz	UQMAUUUBYRDXCQ-HZPDHXFCSA-N	1	0	277.364	2.606	40	30		CFEBRO
CN(C)c1ccc([N+](=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000100252445	529775131	/nfs/dbraw/zinc/77/51/31/529775131.db2.gz	IKNFHMHDURQCKV-GZTJUZNOSA-N	1	0	285.303	2.922	40	30		CFEBRO
N#Cc1ccnc(Nc2nc(C3CC[NH2+]CC3)cs2)c1	ZINC000585292681	348738883	/nfs/dbraw/zinc/73/88/83/348738883.db2.gz	NEZICMMNCNQIOM-UHFFFAOYSA-N	1	0	285.376	2.620	40	30		CFEBRO
CNC(=[NH2+])NN=C(c1ccccc1)c1ccc(Cl)cc1	ZINC000001871537	371710512	/nfs/dbraw/zinc/71/05/12/371710512.db2.gz	MCMIBTBCABVWET-RGEXLXHISA-N	1	0	286.766	2.836	40	30		CFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)c(F)c1	ZINC000001611366	371686843	/nfs/dbraw/zinc/68/68/43/371686843.db2.gz	KCCPYEKUXVMZAM-STUBTGCMSA-N	1	0	253.292	2.745	40	30		CFEBRO
COc1ccc(C(=O)/C=C/[n+]2cccc(Cl)c2)cc1	ZINC000004087784	371833236	/nfs/dbraw/zinc/83/32/36/371833236.db2.gz	UVJSBQSCKKCJEL-CSKARUKUSA-N	1	0	274.727	2.990	40	30		CFEBRO
Cc1ccc[n+](CC(=O)Nc2cccc(Cl)c2)c1	ZINC000004129532	371836341	/nfs/dbraw/zinc/83/63/41/371836341.db2.gz	QHNANMUTAKMICX-UHFFFAOYSA-O	1	0	261.732	2.575	40	30		CFEBRO
C=CCO[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)CC[N@@H+]2C1	ZINC000248131911	131110682	/nfs/dbraw/zinc/11/06/82/131110682.db2.gz	YYIHLJGEJILJHH-CABCVRRESA-N	1	0	292.448	2.518	40	30		CFEBRO
C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100536	395100429	/nfs/dbraw/zinc/10/04/29/395100429.db2.gz	MWSHMUZMGMGNMB-GOSISDBHSA-N	1	0	297.402	2.649	40	30		CFEBRO
COc1ccc(/C=N/[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785713	170016950	/nfs/dbraw/zinc/01/69/50/170016950.db2.gz	CZTMDZPKDBTDSQ-LMTSGECZSA-N	1	0	260.381	2.843	40	30		CFEBRO
COc1ccc(CC(=[NH2+])NOC(=O)c2ccc(C)cc2)cc1	ZINC000004905749	170038967	/nfs/dbraw/zinc/03/89/67/170038967.db2.gz	PPZAUQAZQQAYCO-UHFFFAOYSA-N	1	0	298.342	2.675	40	30		CFEBRO
C/C(=N\[N+](C)(C)C)c1ccc(Br)cc1	ZINC000005124559	170068218	/nfs/dbraw/zinc/06/82/18/170068218.db2.gz	YNGAEOAYJKRLDK-UKTHLTGXSA-N	1	0	256.167	2.879	40	30		CFEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC#N)C2	ZINC000004480742	371857606	/nfs/dbraw/zinc/85/76/06/371857606.db2.gz	SUHTUPXNWQUHMA-OFQRWUPVSA-N	1	0	265.421	2.818	40	30		CFEBRO
C[C@@H]1C/C(=N/Oc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C	ZINC000004866605	371875908	/nfs/dbraw/zinc/87/59/08/371875908.db2.gz	UQBBTDSGUQJIBT-LUNDZONKSA-N	1	0	277.324	2.690	40	30		CFEBRO
C=CCN1C(=O)/C(=C/C=C2/CCC[N@H+]2C)SC1=S	ZINC000005879399	371886757	/nfs/dbraw/zinc/88/67/57/371886757.db2.gz	CJZFVUQJYFGPCL-SQXCDDPUSA-N	1	0	280.418	2.526	40	30		CFEBRO
C=CCNC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1	ZINC000015244291	372082504	/nfs/dbraw/zinc/08/25/04/372082504.db2.gz	AOLKUDJQSSJTLE-UHFFFAOYSA-O	1	0	297.403	2.689	40	30		CFEBRO
C=CCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000035818596	372551768	/nfs/dbraw/zinc/55/17/68/372551768.db2.gz	LLVLUNFHIUYVBD-UHFFFAOYSA-N	1	0	272.392	2.834	40	30		CFEBRO
C=CCO[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21	ZINC000096187032	375475467	/nfs/dbraw/zinc/47/54/67/375475467.db2.gz	VJPWHIJKVGRGQP-ILXRZTDVSA-N	1	0	279.405	2.683	40	30		CFEBRO
CC(C)(C)/[NH+]=C(\Cc1ccccc1)N1CCOCC1	ZINC000104210610	375774010	/nfs/dbraw/zinc/77/40/10/375774010.db2.gz	NSLOWRCOXSCBHE-BMRADRMJSA-N	1	0	260.381	2.758	40	30		CFEBRO
C=CCOc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1	ZINC000216920926	382785183	/nfs/dbraw/zinc/78/51/83/382785183.db2.gz	ZCSSMLAHIOROPG-UHFFFAOYSA-N	1	0	274.364	2.532	40	30		CFEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2	ZINC000004365274	393457737	/nfs/dbraw/zinc/45/77/37/393457737.db2.gz	SUHTUPXNWQUHMA-SQWLQELKSA-N	1	0	265.421	2.818	40	30		CFEBRO
CCCCCCCC[NH2+]Cc1cnc(NC)nc1	ZINC000103596217	393857392	/nfs/dbraw/zinc/85/73/92/393857392.db2.gz	AZSNEESDHNSBBW-UHFFFAOYSA-N	1	0	250.390	2.968	40	30		CFEBRO
C=C(C)CN(CC(=C)C)C(=[NH2+])OC[C@@H]1CCCO1	ZINC000004783438	170016163	/nfs/dbraw/zinc/01/61/63/170016163.db2.gz	IHQKLPHKVUQNON-ZDUSSCGKSA-N	1	0	252.358	2.571	40	30		CFEBRO
CC(=O)C[n+]1c2ccccc2n(C)c1-c1ccccc1	ZINC000005495288	275443952	/nfs/dbraw/zinc/44/39/52/275443952.db2.gz	XRCLKEGAJDOFQU-UHFFFAOYSA-N	1	0	265.336	2.722	40	30		CFEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)nc1)C2	ZINC000096071442	185086567	/nfs/dbraw/zinc/08/65/67/185086567.db2.gz	WGNZNKDUNBFAMG-SFHVURJKSA-N	1	0	299.418	2.647	40	30		CFEBRO
C=CCO[C@H]1C[C@H]2CN(Cc3ccc(C)s3)CC[N@@H+]2C1	ZINC000107746604	186188688	/nfs/dbraw/zinc/18/86/88/186188688.db2.gz	YYIHLJGEJILJHH-GJZGRUSLSA-N	1	0	292.448	2.518	40	30		CFEBRO
C[N@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccc(F)cc1)C2	ZINC000000191120	371554927	/nfs/dbraw/zinc/55/49/27/371554927.db2.gz	HKNFHJJJEKBKHW-OKILXGFUSA-N	1	0	276.311	2.595	40	30		CFEBRO
CC(=O)/C(=C/c1ccc(Cl)cc1)C(=O)CC[NH+](C)C	ZINC000001579758	371683232	/nfs/dbraw/zinc/68/32/32/371683232.db2.gz	DGPDWMMWIGHZLO-UVTDQMKNSA-N	1	0	279.767	2.833	40	30		CFEBRO
CC[NH+](CC)CCCOc1cc([N+](=O)[O-])ccc1C#N	ZINC000001661269	371692482	/nfs/dbraw/zinc/69/24/82/371692482.db2.gz	FSINPESCABBMEE-UHFFFAOYSA-N	1	0	277.324	2.577	40	30		CFEBRO
C[C@H]1C[N@H+](C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556350	372032008	/nfs/dbraw/zinc/03/20/08/372032008.db2.gz	YLUPTEYKJCDJHX-VGOAHNGKSA-N	1	0	277.324	2.690	40	30		CFEBRO
Cc1cccc(C(=O)O/N=C2/C[C@@H](C)[N@@H+](C)C[C@H]2C)c1	ZINC000013634894	372037430	/nfs/dbraw/zinc/03/74/30/372037430.db2.gz	WSBKLQGARDLANT-OVJMFRMASA-N	1	0	274.364	2.868	40	30		CFEBRO
C[NH+](C)C[C@@H]1CCC/C1=N\OC(=O)c1ccccc1	ZINC000017198624	372129476	/nfs/dbraw/zinc/12/94/76/372129476.db2.gz	BPNOHIZSXDLBDZ-YZGLPLCXSA-N	1	0	260.337	2.561	40	30		CFEBRO
COc1cccc(/C=C2\CC[C@H](C[NH+](C)C)C2=O)c1	ZINC000017198777	372129546	/nfs/dbraw/zinc/12/95/46/372129546.db2.gz	QXCONXOZKDRDML-KADHNRKRSA-N	1	0	259.349	2.619	40	30		CFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)c(F)c1	ZINC000017175548	372129566	/nfs/dbraw/zinc/12/95/66/372129566.db2.gz	KCCPYEKUXVMZAM-ONRRBMGISA-N	1	0	253.292	2.745	40	30		CFEBRO
C=CC[NH+]1CCC2(C[C@H](N(C)c3ccccc3)CO2)CC1	ZINC000257292188	190027833	/nfs/dbraw/zinc/02/78/33/190027833.db2.gz	QKKMPFMINUJYOA-KRWDZBQOSA-N	1	0	286.419	2.932	40	30		CFEBRO
[NH2+]=C(NN/C=C/C(=O)c1ccccc1)c1ccccc1	ZINC000409062237	380953603	/nfs/dbraw/zinc/95/36/03/380953603.db2.gz	QLISWWXPECBIFX-VAWYXSNFSA-N	1	0	265.316	2.503	40	30		CFEBRO
C=CC[NH+]1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1	ZINC000257292189	383494313	/nfs/dbraw/zinc/49/43/13/383494313.db2.gz	QKKMPFMINUJYOA-QGZVFWFLSA-N	1	0	286.419	2.932	40	30		CFEBRO
C=C(C)CN1c2ccc(SCCC[NH3+])cc2CCC1=O	ZINC000218804818	130770789	/nfs/dbraw/zinc/77/07/89/130770789.db2.gz	SDKBCHAJNYSPDO-UHFFFAOYSA-N	1	0	290.432	2.983	40	30		CFEBRO
CC(C)C[N@@H+]1CC[C@H](c2nc3cc(C#N)ccc3[nH]2)C1	ZINC000035446854	393520020	/nfs/dbraw/zinc/52/00/20/393520020.db2.gz	MOEBFEOOSBDZJF-ZDUSSCGKSA-N	1	0	268.364	2.880	40	30	biogenic,in-vitro	CFEBRO
Cc1nc(NC(=[NH2+])NCc2ccccc2)nc2ccccc12	ZINC000058885978	397590112	/nfs/dbraw/zinc/59/01/12/397590112.db2.gz	ZUSRIYLXXOLPTH-UHFFFAOYSA-N	1	0	291.358	2.674	40	30		CFEBRO
N#Cc1ccccc1NC(=O)C[NH2+]CC1CCCCC1	ZINC000004969196	170047036	/nfs/dbraw/zinc/04/70/36/170047036.db2.gz	PRRXXKSYRXVUDX-UHFFFAOYSA-N	1	0	271.364	2.667	40	30		CFEBRO
CC(C)(C#CC[N+](C)(C)C)OC(=O)Nc1ccccc1	ZINC000005292494	170083806	/nfs/dbraw/zinc/08/38/06/170083806.db2.gz	QASDWRQABCZWPZ-UHFFFAOYSA-O	1	0	275.372	2.723	40	30		CFEBRO
Cc1ccc(C(=O)/C=C/[n+]2ccc(N)cc2)c(C)c1	ZINC000005744611	170136253	/nfs/dbraw/zinc/13/62/53/170136253.db2.gz	XOVOLRYEDXUIQP-JXMROGBWSA-O	1	0	253.325	2.527	40	30		CFEBRO
C=CCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1	ZINC000039745187	174172487	/nfs/dbraw/zinc/17/24/87/174172487.db2.gz	UVWBIUKELIWYEN-UHFFFAOYSA-N	1	0	272.392	2.509	40	30		CFEBRO
Cc1ccc(C=CC(=O)C(CN(C)C)C[NH+](C)C)cc1C	ZINC000017140406	372129419	/nfs/dbraw/zinc/12/94/19/372129419.db2.gz	XSDGPKZRENOEDZ-KTKRTIGZSA-N	1	0	288.435	2.625	40	30		CFEBRO
N=C(Nc1ccc([N+](=O)[O-])cn1)Nc1ccccc1Cl	ZINC000225236096	382813603	/nfs/dbraw/zinc/81/36/03/382813603.db2.gz	LYUSSYSGRPBTBH-UHFFFAOYSA-N	1	0	291.698	2.702	40	30		CFEBRO
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1ccccc1	ZINC000004529920	393459311	/nfs/dbraw/zinc/45/93/11/393459311.db2.gz	VAWATGWXNSYOHD-ARFHVFGLSA-N	1	0	276.400	2.978	40	30		CFEBRO
C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1=O	ZINC000096224092	393816956	/nfs/dbraw/zinc/81/69/56/393816956.db2.gz	UVXYMTZPVOUDRJ-MRXNPFEDSA-N	1	0	290.432	2.749	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027503	170057530	/nfs/dbraw/zinc/05/75/30/170057530.db2.gz	BBOGVVJGROGHRN-OYPIUGFMSA-N	1	0	278.327	2.699	40	30		CFEBRO
C[NH+](C)CCCCN=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000006426229	170200461	/nfs/dbraw/zinc/20/04/61/170200461.db2.gz	XVWLEKVJMMJVCX-VGOFMYFVSA-N	1	0	284.747	2.988	40	30		CFEBRO
CCC(=O)/C(=C\c1ccccc1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000008655432	170344354	/nfs/dbraw/zinc/34/43/54/170344354.db2.gz	VTXHZGOQYNVMSB-JMRXEAOASA-N	1	0	273.376	2.816	40	30		CFEBRO
CC[NH+](CC)CCS[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965134	276101707	/nfs/dbraw/zinc/10/17/07/276101707.db2.gz	GVFGLOFMASWGON-DDAWZUMGSA-N	1	0	256.415	2.690	40	30		CFEBRO
C#C[C@]1(O)CCCC[C@@H]1[N@H+](CC=C)Cc1ccccc1	ZINC000536553475	330365863	/nfs/dbraw/zinc/36/58/63/330365863.db2.gz	DOLKZKLTOIKEFL-ROUUACIJSA-N	1	0	269.388	2.982	40	30		CFEBRO
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCC[NH2+]2)n1	ZINC000585290914	348738868	/nfs/dbraw/zinc/73/88/68/348738868.db2.gz	XUWCSVINGVZLEM-AWEZNQCLSA-N	1	0	294.362	2.610	40	30		CFEBRO
COc1ccc(/C=N/[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013756401	372047805	/nfs/dbraw/zinc/04/78/05/372047805.db2.gz	CZTMDZPKDBTDSQ-PJPXJIKFSA-N	1	0	260.381	2.843	40	30		CFEBRO
C=CCN(C1=[NH+]CCN1)c1c(Cl)cccc1Cl	ZINC000000003723	169504593	/nfs/dbraw/zinc/50/45/93/169504593.db2.gz	OXTYVEUAQHPPMV-UHFFFAOYSA-N	1	0	270.163	2.945	40	30	investigational	CFEBRO
C[C@H](C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[N+](C)(C)C	ZINC000004064218	298227028	/nfs/dbraw/zinc/22/70/28/298227028.db2.gz	MTKDXEQLJAGGHQ-JXFSHQFZSA-N	1	0	268.421	2.839	40	30		CFEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccccc1)c1ccccc1	ZINC000005178990	170074149	/nfs/dbraw/zinc/07/41/49/170074149.db2.gz	WKPRTJBTWLBDOQ-VOQSRDMCSA-N	1	0	278.359	2.768	40	30		CFEBRO
C[NH+](C)C[C@H]1CCC/C1=N/OC(=O)c1ccccc1	ZINC000005808150	170142075	/nfs/dbraw/zinc/14/20/75/170142075.db2.gz	BPNOHIZSXDLBDZ-XUVDNFPMSA-N	1	0	260.337	2.561	40	30		CFEBRO
C=CCO[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12	ZINC000097953779	526820352	/nfs/dbraw/zinc/82/03/52/526820352.db2.gz	KURTZKXJMCYIFZ-KFWWJZLASA-N	1	0	279.405	2.683	40	30		CFEBRO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2	ZINC000096048182	185072296	/nfs/dbraw/zinc/07/22/96/185072296.db2.gz	UQMAUUUBYRDXCQ-CVEARBPZSA-N	1	0	277.364	2.606	40	30		CFEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)o1)C2	ZINC000096071439	185086905	/nfs/dbraw/zinc/08/69/05/185086905.db2.gz	ITDIMSIBTLPWHH-QGZVFWFLSA-N	1	0	288.391	2.845	40	30		CFEBRO
C[NH+]1CCCCCC(=N\O)/C(=N/O)CCCCC1	ZINC000017886725	282753764	/nfs/dbraw/zinc/75/37/64/282753764.db2.gz	FRTSXIXTWLTUNW-QUMQEAAQSA-N	1	0	255.362	2.713	40	30		CFEBRO
N#Cc1ccc(C[n+]2cccc3c([N+](=O)[O-])cccc32)cc1	ZINC000001566246	371681453	/nfs/dbraw/zinc/68/14/53/371681453.db2.gz	NGHCKAORNITQSN-UHFFFAOYSA-N	1	0	290.302	2.955	40	30		CFEBRO
C[C@@H]1C/C(=N\Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C	ZINC000013556348	372032171	/nfs/dbraw/zinc/03/21/71/372032171.db2.gz	YLUPTEYKJCDJHX-KPYKTUGDSA-N	1	0	277.324	2.690	40	30		CFEBRO
CN(C)/C=C(\C=[N+](C)C)c1ccc(Br)cc1	ZINC000096298940	375483313	/nfs/dbraw/zinc/48/33/13/375483313.db2.gz	MYRRYWMBDBCFTM-UHFFFAOYSA-N	1	0	282.205	2.695	40	30		CFEBRO
C#CCn1c(C)[nH+]c(-c2ccccc2Br)c1N	ZINC000100761339	375628357	/nfs/dbraw/zinc/62/83/57/375628357.db2.gz	PAZFRVXDOGLWGD-UHFFFAOYSA-N	1	0	290.164	2.836	40	30		CFEBRO
C=CCN1c2ccc(SCCC[NH3+])cc2CCC1=O	ZINC000218804723	382790885	/nfs/dbraw/zinc/79/08/85/382790885.db2.gz	UGJPDURXIQZWKN-UHFFFAOYSA-N	1	0	276.405	2.593	40	30		CFEBRO
C#CC1(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CCCCC1	ZINC000035075000	393519160	/nfs/dbraw/zinc/51/91/60/393519160.db2.gz	OCYWTORKQAWKIA-ULQDDVLXSA-N	1	0	293.451	2.678	40	30		CFEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1cccc(C)n1)C2	ZINC000096214695	393816997	/nfs/dbraw/zinc/81/69/97/393816997.db2.gz	YUTWPBGKEPZTTB-SFHVURJKSA-N	1	0	299.418	2.647	40	30		CFEBRO
CC(=O)/C(=C\c1ccccc1Cl)C(=O)CC[NH+](C)C	ZINC000008655431	526387613	/nfs/dbraw/zinc/38/76/13/526387613.db2.gz	ZAGPJIGQCPZZBH-JLHYYAGUSA-N	1	0	279.767	2.833	40	30		CFEBRO
C=CCO[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12	ZINC000096042352	185070445	/nfs/dbraw/zinc/07/04/45/185070445.db2.gz	VJPWHIJKVGRGQP-KFWWJZLASA-N	1	0	279.405	2.683	40	30		CFEBRO
C=CCN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O	ZINC000096046813	185071740	/nfs/dbraw/zinc/07/17/40/185071740.db2.gz	OHDJCDNLMYIBDX-UHFFFAOYSA-N	1	0	290.432	2.749	40	30		CFEBRO
C[C@H]1CCCC[N@@H+]1CCOc1cc([N+](=O)[O-])ccc1C#N	ZINC000001661192	371691814	/nfs/dbraw/zinc/69/18/14/371691814.db2.gz	SCKAQSZHUWKIHF-LBPRGKRZSA-N	1	0	289.335	2.720	40	30		CFEBRO
CSc1ccc(C(=O)C[n+]2cccc(C)c2)cc1	ZINC000001667168	371693725	/nfs/dbraw/zinc/69/37/25/371693725.db2.gz	XOPBZACCDNWKEZ-UHFFFAOYSA-N	1	0	258.366	2.887	40	30		CFEBRO
NC(=[NH2+])NN=C(c1ccccc1)c1ccc(Cl)cc1	ZINC000001693804	371699011	/nfs/dbraw/zinc/69/90/11/371699011.db2.gz	DGYCGNBYYCUOGA-AQTBWJFISA-N	1	0	272.739	2.575	40	30		CFEBRO
C=CCOc1ccccc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C	ZINC000019575164	372176933	/nfs/dbraw/zinc/17/69/33/372176933.db2.gz	YWQQDDFQJRVCQO-NVXWUHKLSA-N	1	0	286.419	2.920	40	30		CFEBRO
C=CC[N@@H+]1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1	ZINC000257240510	190018700	/nfs/dbraw/zinc/01/87/00/190018700.db2.gz	HTUVQNYRPRPVDS-HNNXBMFYSA-N	1	0	270.376	2.845	40	30		CFEBRO
CCc1ccc(C(=O)/C=C/n2ccc(=[NH2+])cc2)cc1	ZINC000409415747	380957151	/nfs/dbraw/zinc/95/71/51/380957151.db2.gz	ZDCNNSYMWHRZMR-FMIVXFBMSA-N	1	0	252.317	2.884	40	30		CFEBRO
C=CCn1ncc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1C	ZINC000247848401	383197869	/nfs/dbraw/zinc/19/78/69/383197869.db2.gz	UGDBCOZNPYYOPH-DLBZAZTESA-N	1	0	289.423	2.505	40	30		CFEBRO
C=CCn1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C	ZINC000247848406	383197933	/nfs/dbraw/zinc/19/79/33/383197933.db2.gz	UGDBCOZNPYYOPH-IRXDYDNUSA-N	1	0	289.423	2.505	40	30		CFEBRO
C=CCN1CC[C@]2(C[N@@H+](Cc3cccs3)C[C@H]2C)C1=O	ZINC000096201671	393817024	/nfs/dbraw/zinc/81/70/24/393817024.db2.gz	ASGPJYNAMBIRIX-CZUORRHYSA-N	1	0	290.432	2.605	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005355184	170089053	/nfs/dbraw/zinc/08/90/53/170089053.db2.gz	YLUPTEYKJCDJHX-ZMHKRQFYSA-N	1	0	277.324	2.690	40	30		CFEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N\OC(=O)c1ccccc1	ZINC000005888019	170150153	/nfs/dbraw/zinc/15/01/53/170150153.db2.gz	GWLJOTFLCRATTR-AQTLKONXSA-N	1	0	274.364	2.951	40	30		CFEBRO
C=CCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000038832468	174157568	/nfs/dbraw/zinc/15/75/68/174157568.db2.gz	LOXNUQRTBUBIPI-AWEZNQCLSA-N	1	0	272.392	2.834	40	30		CFEBRO
C=C[C@@H]1CCC[N+]1(CC(=O)OCC)Cc1ccccc1	ZINC000001635364	276917269	/nfs/dbraw/zinc/91/72/69/276917269.db2.gz	JDANAFGMKSPXRI-PYUWXLGESA-N	1	0	274.384	2.915	40	30		CFEBRO
C=CC/[NH+]=C(/c1ccc(Cl)cc1)N1CCN(C)CC1	ZINC000255189695	328119245	/nfs/dbraw/zinc/11/92/45/328119245.db2.gz	RLMMYZNNENUMFV-ICFOKQHNSA-N	1	0	277.799	2.520	40	30		CFEBRO
C=CCO[C@@H]1C[C@@H]2CN(Cc3ccc(C)s3)CC[N@@H+]2C1	ZINC000096054976	185076036	/nfs/dbraw/zinc/07/60/36/185076036.db2.gz	YYIHLJGEJILJHH-HUUCEWRRSA-N	1	0	292.448	2.518	40	30		CFEBRO
C=CC[N@H+]1CCCC12CCN(C(=O)c1ccc(C)nc1)CC2	ZINC000096063185	185084143	/nfs/dbraw/zinc/08/41/43/185084143.db2.gz	GOHJVQVOBUAFGM-UHFFFAOYSA-N	1	0	299.418	2.647	40	30		CFEBRO
Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccccc2)cc1	ZINC000226102586	348181754	/nfs/dbraw/zinc/18/17/54/348181754.db2.gz	XISJTWIROICXLD-UHFFFAOYSA-N	1	0	268.316	2.667	40	30		CFEBRO
O=C(C[n+]1ccccc1Br)c1ccccc1	ZINC000001577330	371682672	/nfs/dbraw/zinc/68/26/72/371682672.db2.gz	VYYICZHHGSBEQX-UHFFFAOYSA-N	1	0	277.141	2.620	40	30		CFEBRO
C[C@H]1CCC[C@H](C)[NH+]1CCOc1cc(N)ccc1C#N	ZINC000001661466	371692438	/nfs/dbraw/zinc/69/24/38/371692438.db2.gz	FBASXSODSJYVLL-STQMWFEESA-N	1	0	273.380	2.782	40	30		CFEBRO
CSc1ccc(C(=O)C[n+]2ccccc2C)cc1	ZINC000001667167	371694222	/nfs/dbraw/zinc/69/42/22/371694222.db2.gz	IWHJSXQFLKPMBO-UHFFFAOYSA-N	1	0	258.366	2.887	40	30		CFEBRO
C#CC[N+]1(CC#Cc2cccc(C)c2)CCCCC1	ZINC000004610682	371867591	/nfs/dbraw/zinc/86/75/91/371867591.db2.gz	DLQQWFKDWLMZSI-UHFFFAOYSA-N	1	0	252.381	2.980	40	30		CFEBRO
O=[N+]([O-])c1ccc(/C(=[NH+]\c2ccccc2)N2CC2)cc1	ZINC000017312002	372133119	/nfs/dbraw/zinc/13/31/19/372133119.db2.gz	SNPULEFLJPSWHU-FOCLMDBBSA-N	1	0	267.288	2.989	40	30		CFEBRO
CCCCCCCOc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000408768805	380948587	/nfs/dbraw/zinc/94/85/87/380948587.db2.gz	KLLXUMGRFWMCMC-LDADJPATSA-N	1	0	276.384	2.853	40	30		CFEBRO
C=CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216909767	382785109	/nfs/dbraw/zinc/78/51/09/382785109.db2.gz	BIAFPHJUHUOGMU-ZDUSSCGKSA-N	1	0	274.364	2.532	40	30		CFEBRO
CNc1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@@H]1N2	ZINC000504663970	394367026	/nfs/dbraw/zinc/36/70/26/394367026.db2.gz	MRKJUQFZPAERTO-ZFWWWQNUSA-N	1	0	276.429	2.880	40	30		CFEBRO
CCOC(=O)C[n+]1ccc(/C=C/c2ccccc2)cc1	ZINC000001713873	169748702	/nfs/dbraw/zinc/74/87/02/169748702.db2.gz	OCNUTEPEXQDXAN-CMDGGOBGSA-N	1	0	268.336	2.708	40	30		CFEBRO
CCC(=O)/C(=C\c1ccccc1)C(=O)[C@H](C)C[NH+](C)C	ZINC000008655434	170344189	/nfs/dbraw/zinc/34/41/89/170344189.db2.gz	VTXHZGOQYNVMSB-WDGDVPDHSA-N	1	0	273.376	2.816	40	30		CFEBRO
N#Cc1c(N)n(-c2cc[nH+]cc2)nc1-c1ccc(F)cc1F	ZINC000039955402	174178606	/nfs/dbraw/zinc/17/86/06/174178606.db2.gz	HCFSRHPGLPNQPU-UHFFFAOYSA-N	1	0	297.268	2.666	40	30		CFEBRO
NC(=[NH2+])NN=Cc1c2ccccc2cc2ccccc21	ZINC000001694231	274932024	/nfs/dbraw/zinc/93/20/24/274932024.db2.gz	DQGPLSQWZKWKPW-VXLYETTFSA-N	1	0	262.316	2.810	40	30		CFEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC1)[C@H]2CC	ZINC000096052467	185074860	/nfs/dbraw/zinc/07/48/60/185074860.db2.gz	AHQDFPGMVHFDOM-RDJZCZTQSA-N	1	0	276.424	2.818	40	30		CFEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccncc1)C2	ZINC000096050016	185074992	/nfs/dbraw/zinc/07/49/92/185074992.db2.gz	JGOBOVWGQTXYDI-GOSISDBHSA-N	1	0	299.418	2.615	40	30		CFEBRO
CN(C)c1ccc(N=C2C=CC(=[N+](C)C)C=C2)cc1	ZINC000095858579	282291523	/nfs/dbraw/zinc/29/15/23/282291523.db2.gz	XLERXVGZMODBTM-UHFFFAOYSA-N	1	0	254.357	2.664	40	30		CFEBRO
N#Cc1ccc(Nc2cccc(C3CC[NH2+]CC3)n2)cn1	ZINC000585289627	348738812	/nfs/dbraw/zinc/73/88/12/348738812.db2.gz	KYHFWUPTBPNNLB-UHFFFAOYSA-N	1	0	279.347	2.559	40	30		CFEBRO
C=CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)s3)CC[N@@H+]2C1	ZINC000107746606	186189130	/nfs/dbraw/zinc/18/91/30/186189130.db2.gz	YYIHLJGEJILJHH-LSDHHAIUSA-N	1	0	292.448	2.518	40	30		CFEBRO
CCCCCCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000002160156	371717449	/nfs/dbraw/zinc/71/74/49/371717449.db2.gz	KMWUYCUVLQVKQV-UHFFFAOYSA-N	1	0	254.418	2.934	40	30		CFEBRO
COc1cccc(/C=C2/CC[C@@H](C[NH+](C)C)C2=O)c1	ZINC000001625852	371690032	/nfs/dbraw/zinc/69/00/32/371690032.db2.gz	QXCONXOZKDRDML-XXYUJHKVSA-N	1	0	259.349	2.619	40	30		CFEBRO
C#CCOCOCC#CC[NH+](CCCC)CCCC	ZINC000003156497	371776113	/nfs/dbraw/zinc/77/61/13/371776113.db2.gz	KLLJUTRQSGUSDV-UHFFFAOYSA-N	1	0	265.397	2.516	40	30		CFEBRO
C=CCOc1ccccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000019575796	372175719	/nfs/dbraw/zinc/17/57/19/372175719.db2.gz	YWQQDDFQJRVCQO-RDJZCZTQSA-N	1	0	286.419	2.920	40	30		CFEBRO
CCc1ccc(NC(=N)Nc2ccc([N+](=O)[O-])cn2)cc1	ZINC000225236213	382813473	/nfs/dbraw/zinc/81/34/73/382813473.db2.gz	UWEGUNWXQSODKG-UHFFFAOYSA-N	1	0	285.307	2.611	40	30		CFEBRO
C#CC1(OC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCCCC1	ZINC000035075001	393518175	/nfs/dbraw/zinc/51/81/75/393518175.db2.gz	OCYWTORKQAWKIA-ZACQAIPSSA-N	1	0	293.451	2.678	40	30		CFEBRO
C[C@@H]1C[N@H+](C)[C@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]	ZINC000004866603	170033350	/nfs/dbraw/zinc/03/33/50/170033350.db2.gz	UQBBTDSGUQJIBT-BJHMQSSRSA-N	1	0	277.324	2.690	40	30		CFEBRO
C=CCCCCCCCCC(=O)NCC[NH+](C)C	ZINC000004983962	170048861	/nfs/dbraw/zinc/04/88/61/170048861.db2.gz	RYYMATVCGPEENH-UHFFFAOYSA-N	1	0	254.418	2.971	40	30		CFEBRO
N#Cc1c(N)n(-c2cc[nH+]cc2)nc1-c1ccc(F)cc1	ZINC000039955114	174178614	/nfs/dbraw/zinc/17/86/14/174178614.db2.gz	YHFLNRQJPMJZDI-UHFFFAOYSA-N	1	0	279.278	2.527	40	30		CFEBRO
C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2	ZINC000096039593	185068962	/nfs/dbraw/zinc/06/89/62/185068962.db2.gz	ZAHICDYSYFJATM-DLBZAZTESA-N	1	0	291.391	2.853	40	30		CFEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccccn1)C2	ZINC000096050011	185074218	/nfs/dbraw/zinc/07/42/18/185074218.db2.gz	UEDBFHBZGRFCGY-SFHVURJKSA-N	1	0	299.418	2.615	40	30		CFEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1occc1C)C2	ZINC000096071433	185086319	/nfs/dbraw/zinc/08/63/19/185086319.db2.gz	WXWPPQAKMVESCA-QGZVFWFLSA-N	1	0	288.391	2.845	40	30		CFEBRO
C=CC[N@H+]1CCC[C@]12CCCN(Cc1c(C)noc1C)C2	ZINC000096071460	185087279	/nfs/dbraw/zinc/08/72/79/185087279.db2.gz	IBURBGPTAPUWCJ-KRWDZBQOSA-N	1	0	289.423	2.908	40	30		CFEBRO
Cc1c(/[NH+]=C2/CCCCCN2)c(=O)n(-c2ccccc2)n1C	ZINC000016776866	372119914	/nfs/dbraw/zinc/11/99/14/372119914.db2.gz	VUUWAXYMDDMJEE-UHFFFAOYSA-N	1	0	298.390	2.678	40	30		CFEBRO
C[NH+](C)C[C@H]1CCC/C1=N\OC(=O)c1ccccc1	ZINC000016957513	372122947	/nfs/dbraw/zinc/12/29/47/372122947.db2.gz	BPNOHIZSXDLBDZ-ZPTIMJQQSA-N	1	0	260.337	2.561	40	30		CFEBRO
C#C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1cccc(Cl)c1	ZINC000020503760	372240020	/nfs/dbraw/zinc/24/00/20/372240020.db2.gz	SQCRRLLBSBZFMH-YQQAZPJKSA-N	1	0	288.822	2.773	40	30	biogenic,in-vitro	CFEBRO
C=CC[N@H+]1CCCC12CCN(Cc1cccn1C)CC2	ZINC000096159376	375472126	/nfs/dbraw/zinc/47/21/26/375472126.db2.gz	GVJGCKCYRNCBSR-UHFFFAOYSA-N	1	0	273.424	2.642	40	30		CFEBRO
CC(C)C[N@@H+]1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1	ZINC000096215293	375479133	/nfs/dbraw/zinc/47/91/33/375479133.db2.gz	OOYRBJKOZATLHI-SFHVURJKSA-N	1	0	298.434	2.902	40	30		CFEBRO
O=C1c2ccccc2C2=C1N(O)[C@@H]1CCCCC[C@H]1[N+]2=O	ZINC000006231050	170184100	/nfs/dbraw/zinc/18/41/00/170184100.db2.gz	QCWXTHIBXDIRIR-CHWSQXEVSA-N	1	0	285.323	2.737	40	30		CFEBRO
C=CCN1C(=O)CC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1ccccc1	ZINC000095951343	185040315	/nfs/dbraw/zinc/04/03/15/185040315.db2.gz	ZFHJNQIKUPEZRX-SJORKVTESA-N	1	0	284.403	2.828	40	30		CFEBRO
C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2	ZINC000096039597	185069520	/nfs/dbraw/zinc/06/95/20/185069520.db2.gz	LJDVDWAGLWQZMJ-DLBZAZTESA-N	1	0	291.391	2.853	40	30		CFEBRO
CCCCCCCCCC[N+](C)(C)C[C@H](O)CO	ZINC000104199949	185928015	/nfs/dbraw/zinc/92/80/15/185928015.db2.gz	QETRTSPCNIAWCR-HNNXBMFYSA-N	1	0	260.442	2.557	40	30		CFEBRO
CCc1scc(C)[n+]1CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000001593408	371684594	/nfs/dbraw/zinc/68/45/94/371684594.db2.gz	NCAHSGCQWFHPCF-UHFFFAOYSA-N	1	0	291.352	2.698	40	30		CFEBRO
CN(/N=C/c1ccc2ccccc2c1)C1=[NH+]CCCCN1	ZINC000001645638	371692124	/nfs/dbraw/zinc/69/21/24/371692124.db2.gz	DVRZWFOEJOQPHX-DEDYPNTBSA-N	1	0	280.375	2.845	40	30		CFEBRO
C[C@@H]1CCCC[N@@H+]1CCCOc1cc(N)ccc1C#N	ZINC000004522450	371862227	/nfs/dbraw/zinc/86/22/27/371862227.db2.gz	XNWLLFHGLHRWMQ-CYBMUJFWSA-N	1	0	273.380	2.784	40	30		CFEBRO
NC(=[NH2+])NN=Cc1c2ccccc2cc2ccccc21	ZINC000005409856	371881881	/nfs/dbraw/zinc/88/18/81/371881881.db2.gz	DQGPLSQWZKWKPW-GRSHGNNSSA-N	1	0	262.316	2.810	40	30		CFEBRO
COc1ccc(C[N+](=O)Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000104045339	375765431	/nfs/dbraw/zinc/76/54/31/375765431.db2.gz	KZSRDEYLRPYUQL-UHFFFAOYSA-N	1	0	286.287	2.733	40	30		CFEBRO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2	ZINC000107730516	375809171	/nfs/dbraw/zinc/80/91/71/375809171.db2.gz	SZLCPPFJDJPDNL-SJORKVTESA-N	1	0	291.391	2.914	40	30		CFEBRO
C=CCN1CC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1=O	ZINC000096224090	393817438	/nfs/dbraw/zinc/81/74/38/393817438.db2.gz	UVXYMTZPVOUDRJ-INIZCTEOSA-N	1	0	290.432	2.749	40	30		CFEBRO
C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100537	395099872	/nfs/dbraw/zinc/09/98/72/395099872.db2.gz	MWSHMUZMGMGNMB-SFHVURJKSA-N	1	0	297.402	2.649	40	30		CFEBRO
O=C(/C=C/[n+]1ccc(N2CCCC2)cc1)c1ccccc1	ZINC000005278593	170081902	/nfs/dbraw/zinc/08/19/02/170081902.db2.gz	QDNRCHGHISHYFH-XNTDXEJSSA-N	1	0	279.363	2.928	40	30		CFEBRO
C=CC[N@H+]1[C@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@@H]21	ZINC000095951341	185039684	/nfs/dbraw/zinc/03/96/84/185039684.db2.gz	PJOOVLOVRCHYDU-JYJNAYRXSA-N	1	0	270.376	2.657	40	30		CFEBRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2	ZINC000096048203	185072347	/nfs/dbraw/zinc/07/23/47/185072347.db2.gz	SZLCPPFJDJPDNL-DLBZAZTESA-N	1	0	291.391	2.914	40	30		CFEBRO
Cc1[o+]c2ccccc2n1CC(=O)c1ccccc1	ZINC000001668283	371694054	/nfs/dbraw/zinc/69/40/54/371694054.db2.gz	JXMFCIJLRNXVDF-UHFFFAOYSA-N	1	0	252.293	2.912	40	30		CFEBRO
Cc1cccc(C(=O)O/N=C2/C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000003900673	371823871	/nfs/dbraw/zinc/82/38/71/371823871.db2.gz	WSBKLQGARDLANT-RGHHBTPQSA-N	1	0	274.364	2.868	40	30		CFEBRO
CC[C@H](C#N)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000031343086	372408801	/nfs/dbraw/zinc/40/88/01/372408801.db2.gz	XARCFSHZUKBOAM-OAHLLOKOSA-N	1	0	257.381	2.543	40	30		CFEBRO
C=CCN1C(=O)CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1	ZINC000096186267	375474866	/nfs/dbraw/zinc/47/48/66/375474866.db2.gz	YTOGVYGDCPVTHC-HOTGVXAUSA-N	1	0	288.366	2.577	40	30		CFEBRO
C=CC[N@@H+]1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1	ZINC000257240511	190018668	/nfs/dbraw/zinc/01/86/68/190018668.db2.gz	HTUVQNYRPRPVDS-OAHLLOKOSA-N	1	0	270.376	2.845	40	30		CFEBRO
CNc1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@H]1N2	ZINC000504663969	394366990	/nfs/dbraw/zinc/36/69/90/394366990.db2.gz	MRKJUQFZPAERTO-UKRRQHHQSA-N	1	0	276.429	2.880	40	30		CFEBRO
CNc1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@@H]1N2	ZINC000504663967	394367098	/nfs/dbraw/zinc/36/70/98/394367098.db2.gz	MRKJUQFZPAERTO-DZGCQCFKSA-N	1	0	276.429	2.880	40	30		CFEBRO
O=[N+]([O-])c1ccc(NCC[NH2+]CC#Cc2ccccc2)cc1	ZINC000008435923	170336437	/nfs/dbraw/zinc/33/64/37/170336437.db2.gz	KBURWCCBKAGJRU-UHFFFAOYSA-N	1	0	295.342	2.648	40	30		CFEBRO
C=CCN1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)C1=O	ZINC000096046815	185073168	/nfs/dbraw/zinc/07/31/68/185073168.db2.gz	RWPVSLCXJTZLHB-UHFFFAOYSA-N	1	0	288.391	2.589	40	30		CFEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccnc1)C2	ZINC000096050014	185074825	/nfs/dbraw/zinc/07/48/25/185074825.db2.gz	AGBNDJRYSVNUAR-GOSISDBHSA-N	1	0	299.418	2.615	40	30		CFEBRO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1	ZINC000096110741	185100565	/nfs/dbraw/zinc/10/05/65/185100565.db2.gz	ACEMWUUAXTVZNP-HZPDHXFCSA-N	1	0	288.366	2.577	40	30		CFEBRO
CN1CCC/C1=[NH+]/C(=N/c1ccccc1)N1CCCC1	ZINC000103285602	282722660	/nfs/dbraw/zinc/72/26/60/282722660.db2.gz	UFJFKQGRZLHOBO-IZEYCACRSA-N	1	0	270.380	2.894	40	30		CFEBRO
COc1cccc(/C=C2/CC[C@H](C[NH+](C)C)C2=O)c1	ZINC000001625850	371689530	/nfs/dbraw/zinc/68/95/30/371689530.db2.gz	QXCONXOZKDRDML-RNQWEJQRSA-N	1	0	259.349	2.619	40	30		CFEBRO
CN(/N=C/c1ccc(Cl)c(Cl)c1)C1=[NH+]CCCCN1	ZINC000001643159	371689970	/nfs/dbraw/zinc/68/99/70/371689970.db2.gz	GODFYVBRLBQEBU-GIJQJNRQSA-N	1	0	299.205	2.999	40	30		CFEBRO
CCCCCCCCCC(=O)NCC[N+](C)(C)C	ZINC000001714951	371702449	/nfs/dbraw/zinc/70/24/49/371702449.db2.gz	LGRNADHIDSOKFJ-UHFFFAOYSA-O	1	0	257.442	2.950	40	30		CFEBRO
Cc1ccc[n+](CC(=O)Nc2ccc(C)c(C)c2)c1	ZINC000004129541	371835864	/nfs/dbraw/zinc/83/58/64/371835864.db2.gz	RRYAFXOOUBPMDB-UHFFFAOYSA-O	1	0	255.341	2.538	40	30		CFEBRO
CN1CCC/C1=[NH+]\C(=N\c1ccccc1)N1CCCC1	ZINC000016155816	372099700	/nfs/dbraw/zinc/09/97/00/372099700.db2.gz	UFJFKQGRZLHOBO-YQFKSOGVSA-N	1	0	270.380	2.894	40	30	in-man	CFEBRO
CC(C)NC(=O)c1ccc(C[N+](=O)Cc2ccccc2)cc1	ZINC000104192712	375773232	/nfs/dbraw/zinc/77/32/32/375773232.db2.gz	IUQXGSBEEYVTMT-UDWIEESQSA-N	1	0	296.370	2.954	40	30		CFEBRO
CCCCCCCOc1ccccc1C=NNC(N)=[NH2+]	ZINC000408769554	380947367	/nfs/dbraw/zinc/94/73/67/380947367.db2.gz	NVMROLJDXSHYBT-LDADJPATSA-N	1	0	276.384	2.853	40	30		CFEBRO
C=CCC1([N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)COC1	ZINC000306145268	382453507	/nfs/dbraw/zinc/45/35/07/382453507.db2.gz	AEFOIIAKFHGCGH-QGZVFWFLSA-N	1	0	289.419	2.851	40	30		CFEBRO
C[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1	ZINC000585100778	348734190	/nfs/dbraw/zinc/73/41/90/348734190.db2.gz	WEZXYHXTTZIUOY-GOSISDBHSA-N	1	0	297.402	2.649	40	30		CFEBRO
C=CCOc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1	ZINC000216896210	189706915	/nfs/dbraw/zinc/70/69/15/189706915.db2.gz	XVNBTBGUJOXERW-UHFFFAOYSA-N	1	0	288.391	2.922	40	30		CFEBRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1cc(N)ccc1C#N	ZINC000001661464	371692511	/nfs/dbraw/zinc/69/25/11/371692511.db2.gz	FBASXSODSJYVLL-BETUJISGSA-N	1	0	273.380	2.782	40	30		CFEBRO
C[C@@H]1C/C(=N/Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C	ZINC000005355190	371879853	/nfs/dbraw/zinc/87/98/53/371879853.db2.gz	YLUPTEYKJCDJHX-PPRBZMNOSA-N	1	0	277.324	2.690	40	30		CFEBRO
C=CCOc1ccccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000019575794	372176751	/nfs/dbraw/zinc/17/67/51/372176751.db2.gz	YWQQDDFQJRVCQO-DOTOQJQBSA-N	1	0	286.419	2.920	40	30		CFEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccncc1)C2	ZINC000096050015	375469018	/nfs/dbraw/zinc/46/90/18/375469018.db2.gz	JGOBOVWGQTXYDI-SFHVURJKSA-N	1	0	299.418	2.615	40	30		CFEBRO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1sccc1C	ZINC000096184362	375475413	/nfs/dbraw/zinc/47/54/13/375475413.db2.gz	DTEXHBMEJOWHCF-QWHCGFSZSA-N	1	0	276.405	2.531	40	30		CFEBRO
CCCCCCCCOC(=O)NCCSC(N)=[NH2+]	ZINC000104364901	375781759	/nfs/dbraw/zinc/78/17/59/375781759.db2.gz	WFAZSMGLZYRUGH-UHFFFAOYSA-N	1	0	275.418	2.700	40	30		CFEBRO
C=CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216896157	382784560	/nfs/dbraw/zinc/78/45/60/382784560.db2.gz	HGHIXLRKRFOWSN-UHFFFAOYSA-N	1	0	288.391	2.922	40	30		CFEBRO
CNc1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@H]1N2	ZINC000504663968	394367036	/nfs/dbraw/zinc/36/70/36/394367036.db2.gz	MRKJUQFZPAERTO-HIFRSBDPSA-N	1	0	276.429	2.880	40	30		CFEBRO
NC(=[NH2+])NN=C(c1ccccc1)c1ccc(Cl)cc1	ZINC000004758448	170012589	/nfs/dbraw/zinc/01/25/89/170012589.db2.gz	DGYCGNBYYCUOGA-QGOAFFKASA-N	1	0	272.739	2.575	40	30		CFEBRO
O=C(C[n+]1cccc(Br)c1)c1cccs1	ZINC000004832863	170025967	/nfs/dbraw/zinc/02/59/67/170025967.db2.gz	FWYAUDYUXDRQSA-UHFFFAOYSA-N	1	0	283.170	2.681	40	30		CFEBRO
C[C@@H]1C/C(=N\OC(=O)c2ccc(F)cc2)[C@@H](C)C[N@@H+]1C	ZINC000005027505	170057846	/nfs/dbraw/zinc/05/78/46/170057846.db2.gz	BBOGVVJGROGHRN-UBNBHNNWSA-N	1	0	278.327	2.699	40	30		CFEBRO
CC[NH+](CC)CCS[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965136	276101582	/nfs/dbraw/zinc/10/15/82/276101582.db2.gz	GVFGLOFMASWGON-IMQZKJBWSA-N	1	0	256.415	2.690	40	30		CFEBRO