smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)sc1C	ZINC000737467335	945072207	/nfs/dbraw/zinc/07/22/07/945072207.db2.gz	AQEWQTUZLYOZJX-QPEQYQDCSA-N	0	0	308.370	3.004	20	50		DGGDRN
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)n1	ZINC000820197560	945372082	/nfs/dbraw/zinc/37/20/82/945372082.db2.gz	LSMQRDLAFOIXRK-WEVVVXLNSA-N	0	0	312.358	3.104	20	50		DGGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)o1)c1nc2ccccc2s1	ZINC000822796461	946184979	/nfs/dbraw/zinc/18/49/79/946184979.db2.gz	RUBAZWZNLWKHSA-CLFYSBASSA-N	0	0	320.337	3.134	20	50		DGGDRN
C[C@H](CBr)C[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC001592213476	977273212	/nfs/dbraw/zinc/27/32/12/977273212.db2.gz	YCFGUWZWVUQXTJ-MDZLAQPJSA-N	0	0	314.223	3.069	20	50		DGGDRN
O=C([O-])c1ccc(C[NH2+]Cc2ccc(OCCCCl)cc2)o1	ZINC000901664685	980433876	/nfs/dbraw/zinc/43/38/76/980433876.db2.gz	XFFDIBYWZRMUSR-UHFFFAOYSA-N	0	0	323.776	3.275	20	50		DGGDRN
C[C@@H](CBr)COC(=O)c1ccc(C=O)c(Cl)c1	ZINC000770410773	617768947	/nfs/dbraw/zinc/76/89/47/617768947.db2.gz	JVZWCZXNZGRSLX-QMMMGPOBSA-N	0	0	319.582	3.340	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)sc1C	ZINC000737467642	945072483	/nfs/dbraw/zinc/07/24/83/945072483.db2.gz	FWSAHHKDUBDJJD-NTUHNPAUSA-N	0	0	308.370	3.004	20	50		DGGDRN
N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ccc2ccccc2n1	ZINC000826379645	948173981	/nfs/dbraw/zinc/17/39/81/948173981.db2.gz	XWVDSSBXDAZFLM-RVDMUPIBSA-N	0	0	324.347	3.479	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[NH2+]C1(CC(=O)[O-])CCCC1	ZINC001590451784	990015644	/nfs/dbraw/zinc/01/56/44/990015644.db2.gz	RDQDAEQEOBUCPA-UHFFFAOYSA-N	0	0	301.503	3.385	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)sc1C	ZINC000826323783	607884714	/nfs/dbraw/zinc/88/47/14/607884714.db2.gz	RAMOCOCEXVGDTB-GHXNOFRVSA-N	0	0	308.370	3.004	20	50		DGGDRN
Cc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826316586	608217054	/nfs/dbraw/zinc/21/70/54/608217054.db2.gz	SFNDISANBDZVEO-JYRVWZFOSA-N	0	0	321.365	3.027	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)sc1C	ZINC000822424611	946087105	/nfs/dbraw/zinc/08/71/05/946087105.db2.gz	XQXFXFATHFULNW-YCRREMRBSA-N	0	0	314.399	3.066	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1CCC(=O)[O-]	ZINC001602921278	971877644	/nfs/dbraw/zinc/87/76/44/971877644.db2.gz	DEQDGTSPIGJQFO-CYBMUJFWSA-N	0	0	301.503	3.337	20	50		DGGDRN
CC[C@H](C)[C@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C	ZINC001594875248	982207367	/nfs/dbraw/zinc/20/73/67/982207367.db2.gz	FSFPGDDAKKCFLG-QWHCGFSZSA-N	0	0	303.519	3.439	20	50		DGGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@@H](C(=O)[O-])c1cccc2ccccc21	ZINC001594190501	998739745	/nfs/dbraw/zinc/73/97/45/998739745.db2.gz	IGIXHLLMHSMMNJ-PHKINGBFSA-N	0	0	303.789	3.428	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)sc1C	ZINC000826323784	607884863	/nfs/dbraw/zinc/88/48/63/607884863.db2.gz	RAMOCOCEXVGDTB-KPKJPENVSA-N	0	0	308.370	3.004	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC001590451861	990016881	/nfs/dbraw/zinc/01/68/81/990016881.db2.gz	UWAHXADJVAFZBH-MELADBBJSA-N	0	0	313.514	3.193	20	50		DGGDRN
CCCCCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825271036	607341729	/nfs/dbraw/zinc/34/17/29/607341729.db2.gz	FVNPJBXVSFVJRM-UHFFFAOYSA-N	0	0	316.409	3.060	20	50		DGGDRN
C[C@@H](C(=O)[O-])[C@@H]([NH2+]C[C@H](C)CBr)c1ccccc1	ZINC001592213477	977273639	/nfs/dbraw/zinc/27/36/39/977273639.db2.gz	YCFGUWZWVUQXTJ-NQBHXWOUSA-N	0	0	314.223	3.069	20	50		DGGDRN
CC[C@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)C(C)(C)C	ZINC000106014844	631191995	/nfs/dbraw/zinc/19/19/95/631191995.db2.gz	GEMXVEDMXKZALS-AWEZNQCLSA-N	0	0	320.433	3.161	20	50		DGGDRN
CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001573767540	960626072	/nfs/dbraw/zinc/62/60/72/960626072.db2.gz	AACKFESMBRIMKF-OLZOCXBDSA-N	0	0	301.503	3.336	20	50		DGGDRN
CSSCC[NH2+][C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001599805068	988241981	/nfs/dbraw/zinc/24/19/81/988241981.db2.gz	XRPPNDCJKAJBDB-JTQLQIEISA-N	0	0	309.815	3.206	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@H]1CC[N@H+](CCCCC(=O)[O-])C1	ZINC001590451143	990010930	/nfs/dbraw/zinc/01/09/30/990010930.db2.gz	BJMBAJHJKZHFQB-ZDUSSCGKSA-N	0	0	301.503	3.337	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+](CC2(C(=O)[O-])CC2)C1	ZINC001590451879	990016824	/nfs/dbraw/zinc/01/68/24/990016824.db2.gz	VRTYNOHGNKXYMJ-ZDUSSCGKSA-N	0	0	313.514	3.337	20	50		DGGDRN
C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(OCCCCl)cc1	ZINC001603297418	972569216	/nfs/dbraw/zinc/56/92/16/972569216.db2.gz	UIRJLPSXDVYTNC-MRXNPFEDSA-N	0	0	311.809	3.133	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC001590451860	990016907	/nfs/dbraw/zinc/01/69/07/990016907.db2.gz	UWAHXADJVAFZBH-IHRRRGAJSA-N	0	0	313.514	3.193	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+](CC2(C(=O)[O-])CC2)C1	ZINC001590451878	990016938	/nfs/dbraw/zinc/01/69/38/990016938.db2.gz	VRTYNOHGNKXYMJ-CYBMUJFWSA-N	0	0	313.514	3.337	20	50		DGGDRN
Cc1ccc(C(=O)C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)s1	ZINC000737306585	945034052	/nfs/dbraw/zinc/03/40/52/945034052.db2.gz	DJWIDULFLSDKIO-JYRVWZFOSA-N	0	0	321.365	3.027	20	50		DGGDRN
Cc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)s1	ZINC000737309455	945034812	/nfs/dbraw/zinc/03/48/12/945034812.db2.gz	TYXHJHHTIWNPMS-JYRVWZFOSA-N	0	0	321.365	3.027	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)sc1C	ZINC000822424494	946086020	/nfs/dbraw/zinc/08/60/20/946086020.db2.gz	WHOVKLVNOFTMGB-UITAMQMPSA-N	0	0	314.399	3.066	20	50		DGGDRN
O=C([O-])[C@H](CC1CC1)[NH2+]Cc1ccc(OCCCCl)cc1	ZINC000901718859	980463063	/nfs/dbraw/zinc/46/30/63/980463063.db2.gz	ZNZBVTKGEIAOEZ-HNNXBMFYSA-N	0	0	311.809	3.037	20	50		DGGDRN
CC[C@@H](C)[C@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C	ZINC001594875246	982207758	/nfs/dbraw/zinc/20/77/58/982207758.db2.gz	FSFPGDDAKKCFLG-CHWSQXEVSA-N	0	0	303.519	3.439	20	50		DGGDRN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1	ZINC001594187904	998728668	/nfs/dbraw/zinc/72/86/68/998728668.db2.gz	NNAQWLWVPZGAAC-PXTQAZKISA-N	0	0	318.804	3.098	20	50		DGGDRN
C[C@@H]1C[N@H+](CCO[Si](C)(C)C(C)(C)C)C[C@H]1CC(=O)[O-]	ZINC001599866018	989259718	/nfs/dbraw/zinc/25/97/18/989259718.db2.gz	YQICVQWWONWIEN-CHWSQXEVSA-N	0	0	301.503	3.051	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)sc1C	ZINC000822424609	946086845	/nfs/dbraw/zinc/08/68/45/946086845.db2.gz	XQXFXFATHFULNW-OQFOIZHKSA-N	0	0	314.399	3.066	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001590451901	990016848	/nfs/dbraw/zinc/01/68/48/990016848.db2.gz	WECLKAGTSYAQPI-CYBMUJFWSA-N	0	0	313.514	3.195	20	50		DGGDRN
CC[C@@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)C(C)(C)C	ZINC000106014848	631192045	/nfs/dbraw/zinc/19/20/45/631192045.db2.gz	GEMXVEDMXKZALS-CQSZACIVSA-N	0	0	320.433	3.161	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)sc1C	ZINC000737467334	945071823	/nfs/dbraw/zinc/07/18/23/945071823.db2.gz	AQEWQTUZLYOZJX-NTUHNPAUSA-N	0	0	308.370	3.004	20	50		DGGDRN
CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001573767541	960626760	/nfs/dbraw/zinc/62/67/60/960626760.db2.gz	AACKFESMBRIMKF-QWHCGFSZSA-N	0	0	301.503	3.336	20	50		DGGDRN
C=C(C)C[C@H]([NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC000901680026	980443536	/nfs/dbraw/zinc/44/35/36/980443536.db2.gz	SVHJVXGWTJGYSA-HNNXBMFYSA-N	0	0	311.809	3.203	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[NH+]1CCC(CC(=O)[O-])CC1	ZINC001590451466	990013352	/nfs/dbraw/zinc/01/33/52/990013352.db2.gz	LCUMSFHQUHEVLA-UHFFFAOYSA-N	0	0	301.503	3.195	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC001590451859	990016281	/nfs/dbraw/zinc/01/62/81/990016281.db2.gz	UWAHXADJVAFZBH-BFHYXJOUSA-N	0	0	313.514	3.193	20	50		DGGDRN
C[C@H](C(=O)[O-])[NH+]1CCC(CO[Si](C)(C)C(C)(C)C)CC1	ZINC001602822052	971632223	/nfs/dbraw/zinc/63/22/23/971632223.db2.gz	YISDMAKXMHEZIG-GFCCVEGCSA-N	0	0	301.503	3.193	20	50		DGGDRN
CC(C)C[C@H]([NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC000901642312	956400347	/nfs/dbraw/zinc/40/03/47/956400347.db2.gz	TXMUJSSBUNLTEM-HNNXBMFYSA-N	0	0	313.825	3.283	20	50		DGGDRN
O=C([O-])C[N@H+](Cc1ccc(OCCCCl)cc1)C1CCC1	ZINC000902044487	956628624	/nfs/dbraw/zinc/62/86/24/956628624.db2.gz	BAVGWILPNHOKNP-UHFFFAOYSA-N	0	0	311.809	3.133	20	50		DGGDRN
C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(OCCCCl)cc1	ZINC001603297416	972570134	/nfs/dbraw/zinc/57/01/34/972570134.db2.gz	UIRJLPSXDVYTNC-INIZCTEOSA-N	0	0	311.809	3.133	20	50		DGGDRN
CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C	ZINC001594875247	982207441	/nfs/dbraw/zinc/20/74/41/982207441.db2.gz	FSFPGDDAKKCFLG-OLZOCXBDSA-N	0	0	303.519	3.439	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)sc1C	ZINC000737467643	945072904	/nfs/dbraw/zinc/07/29/04/945072904.db2.gz	FWSAHHKDUBDJJD-QPEQYQDCSA-N	0	0	308.370	3.004	20	50		DGGDRN
O=C([O-])CC1([NH2+]C[C@H](CBr)C2CC2)CCCCC1	ZINC001594983439	950995332	/nfs/dbraw/zinc/99/53/32/950995332.db2.gz	XXBZQKXWDFJUEU-LBPRGKRZSA-N	0	0	318.255	3.175	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1	ZINC001588739239	961146630	/nfs/dbraw/zinc/14/66/30/961146630.db2.gz	HNTJZIMBTPHPLS-UONOGXRCSA-N	0	0	313.514	3.336	20	50		DGGDRN
C[C@H](CBr)C[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC001592213478	977273718	/nfs/dbraw/zinc/27/37/18/977273718.db2.gz	YCFGUWZWVUQXTJ-NTZNESFSSA-N	0	0	314.223	3.069	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC001590451862	990016417	/nfs/dbraw/zinc/01/64/17/990016417.db2.gz	UWAHXADJVAFZBH-MJBXVCDLSA-N	0	0	313.514	3.193	20	50		DGGDRN
CCCCCCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825270655	607715340	/nfs/dbraw/zinc/71/53/40/607715340.db2.gz	AYRNKVGZVJWMLM-UHFFFAOYSA-N	0	0	316.409	3.060	20	50		DGGDRN
Cc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)s1	ZINC000737309456	945034123	/nfs/dbraw/zinc/03/41/23/945034123.db2.gz	TYXHJHHTIWNPMS-MDWZMJQESA-N	0	0	321.365	3.027	20	50		DGGDRN
CC[C@H](C)[C@@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C	ZINC001594875249	982207113	/nfs/dbraw/zinc/20/71/13/982207113.db2.gz	FSFPGDDAKKCFLG-STQMWFEESA-N	0	0	303.519	3.439	20	50		DGGDRN
C[N@H+](Cc1ccc(OCCCCl)cc1)C(C)(C)CC(=O)[O-]	ZINC001119602322	983002750	/nfs/dbraw/zinc/00/27/50/983002750.db2.gz	MKHMNYXGNCVLAC-UHFFFAOYSA-N	0	0	313.825	3.379	20	50		DGGDRN
Cc1nc(C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)sc1C	ZINC000822424495	946085559	/nfs/dbraw/zinc/08/55/59/946085559.db2.gz	WHOVKLVNOFTMGB-WEVVVXLNSA-N	0	0	314.399	3.066	20	50		DGGDRN
N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ccc2ccccc2n1	ZINC000826379644	948174289	/nfs/dbraw/zinc/17/42/89/948174289.db2.gz	XWVDSSBXDAZFLM-PTNGSMBKSA-N	0	0	324.347	3.479	20	50		DGGDRN
C[C@H]1[C@H](C[N@@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)[C@H]1Cl	ZINC001594187902	998728919	/nfs/dbraw/zinc/72/89/19/998728919.db2.gz	NNAQWLWVPZGAAC-HCYDYPBKSA-N	0	0	318.804	3.098	20	50		DGGDRN
C[C@H]1[C@H](C[NH2+]CCc2cc3ccc(C(=O)[O-])cc3o2)[C@H]1Cl	ZINC001594191376	998748011	/nfs/dbraw/zinc/74/80/11/998748011.db2.gz	XGTODFPLJSABBG-FGEZKYSXSA-N	0	0	307.777	3.136	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@H+](CCCCC(=O)[O-])C1	ZINC001590451142	990011161	/nfs/dbraw/zinc/01/11/61/990011161.db2.gz	BJMBAJHJKZHFQB-CYBMUJFWSA-N	0	0	301.503	3.337	20	50		DGGDRN
C[C@H](CBr)COC(=O)c1ccc(C=O)c(Cl)c1	ZINC000770410772	617769213	/nfs/dbraw/zinc/76/92/13/617769213.db2.gz	JVZWCZXNZGRSLX-MRVPVSSYSA-N	0	0	319.582	3.340	20	50		DGGDRN
Cc1ccsc1C(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1	ZINC000826315402	947921297	/nfs/dbraw/zinc/92/12/97/947921297.db2.gz	IPZKFCKIVOVSFJ-WQLSENKSSA-N	0	0	321.365	3.027	20	50		DGGDRN
CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001573767542	960625726	/nfs/dbraw/zinc/62/57/26/960625726.db2.gz	AACKFESMBRIMKF-STQMWFEESA-N	0	0	301.503	3.336	20	50		DGGDRN
O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(OCCCCl)cc1	ZINC000901969312	980655391	/nfs/dbraw/zinc/65/53/91/980655391.db2.gz	YPPYKONNHQESOT-OAHLLOKOSA-N	0	0	311.809	3.133	20	50		DGGDRN
CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(OCCCCl)cc1	ZINC000901990315	980669642	/nfs/dbraw/zinc/66/96/42/980669642.db2.gz	XVZNVCBORILSBC-CYBMUJFWSA-N	0	0	313.825	3.379	20	50		DGGDRN
Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)s1	ZINC000826285634	608216283	/nfs/dbraw/zinc/21/62/83/608216283.db2.gz	FMZSFNFYYFBERY-JYRVWZFOSA-N	0	0	321.365	3.027	20	50		DGGDRN
Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)s1	ZINC000826285635	608216392	/nfs/dbraw/zinc/21/63/92/608216392.db2.gz	FMZSFNFYYFBERY-MDWZMJQESA-N	0	0	321.365	3.027	20	50		DGGDRN
O=C([O-])c1coc(C[NH2+]Cc2ccc(OCCCCl)cc2)c1	ZINC000901954777	980649843	/nfs/dbraw/zinc/64/98/43/980649843.db2.gz	RZQMNRWHFWQBIF-UHFFFAOYSA-N	0	0	323.776	3.275	20	50		DGGDRN
O=C([O-])C[C@H]1CCC[N@@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902009281	980688338	/nfs/dbraw/zinc/68/83/38/980688338.db2.gz	DJBAQTKCPPATNU-CQSZACIVSA-N	0	0	311.809	3.133	20	50		DGGDRN
C[C@H]1[C@H](C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)[C@H]1Cl	ZINC001594190500	998739751	/nfs/dbraw/zinc/73/97/51/998739751.db2.gz	IGIXHLLMHSMMNJ-MVWHLILJSA-N	0	0	303.789	3.428	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1	ZINC001588739238	961146098	/nfs/dbraw/zinc/14/60/98/961146098.db2.gz	HNTJZIMBTPHPLS-KGLIPLIRSA-N	0	0	313.514	3.336	20	50		DGGDRN
CC(C)[C@H](C[NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC001588831047	961718252	/nfs/dbraw/zinc/71/82/52/961718252.db2.gz	YBLAMQOGBNZAOS-HNNXBMFYSA-N	0	0	313.825	3.141	20	50		DGGDRN
C[C@@H](C(=O)[O-])[C@H]([NH2+]C[C@H](C)CBr)c1ccccc1	ZINC001592213479	977273445	/nfs/dbraw/zinc/27/34/45/977273445.db2.gz	YCFGUWZWVUQXTJ-WZRBSPASSA-N	0	0	314.223	3.069	20	50		DGGDRN
CC(C)(CCC(=O)[O-])[NH2+]Cc1ccc(OCCCCl)cc1	ZINC000901661358	980431565	/nfs/dbraw/zinc/43/15/65/980431565.db2.gz	IMBQCWDAXDVJPH-UHFFFAOYSA-N	0	0	313.825	3.427	20	50		DGGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)o1)c1nc2ccccc2s1	ZINC000822796462	946185427	/nfs/dbraw/zinc/18/54/27/946185427.db2.gz	RUBAZWZNLWKHSA-VQHVLOKHSA-N	0	0	320.337	3.134	20	50		DGGDRN
Cc1ccc(C(=O)C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)s1	ZINC000737306588	945034326	/nfs/dbraw/zinc/03/43/26/945034326.db2.gz	DJWIDULFLSDKIO-MDWZMJQESA-N	0	0	321.365	3.027	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@@H+]1CCCC(=O)[O-]	ZINC001588739366	961150865	/nfs/dbraw/zinc/15/08/65/961150865.db2.gz	NCGWHZUDAWBSSS-ZDUSSCGKSA-N	0	0	301.503	3.337	20	50		DGGDRN
C=C(C)C[C@@H]([NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC000901680027	980443054	/nfs/dbraw/zinc/44/30/54/980443054.db2.gz	SVHJVXGWTJGYSA-OAHLLOKOSA-N	0	0	311.809	3.203	20	50		DGGDRN
Cc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826316587	608217263	/nfs/dbraw/zinc/21/72/63/608217263.db2.gz	SFNDISANBDZVEO-MDWZMJQESA-N	0	0	321.365	3.027	20	50		DGGDRN
CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	ZINC001573767539	960625462	/nfs/dbraw/zinc/62/54/62/960625462.db2.gz	AACKFESMBRIMKF-CHWSQXEVSA-N	0	0	301.503	3.336	20	50		DGGDRN
O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1ccc(OCCCCl)cc1	ZINC000901718860	980462967	/nfs/dbraw/zinc/46/29/67/980462967.db2.gz	ZNZBVTKGEIAOEZ-OAHLLOKOSA-N	0	0	311.809	3.037	20	50		DGGDRN
C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]CCc1cc2ccc(C(=O)[O-])cc2o1	ZINC001594191377	998748031	/nfs/dbraw/zinc/74/80/31/998748031.db2.gz	XGTODFPLJSABBG-JBCWJZNQSA-N	0	0	307.777	3.136	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1CCC(=O)[O-]	ZINC001602921279	971877488	/nfs/dbraw/zinc/87/74/88/971877488.db2.gz	DEQDGTSPIGJQFO-ZDUSSCGKSA-N	0	0	301.503	3.337	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1	ZINC001588739240	961147105	/nfs/dbraw/zinc/14/71/05/961147105.db2.gz	HNTJZIMBTPHPLS-ZIAGYGMSSA-N	0	0	313.514	3.336	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@@H+]1CCCC(=O)[O-]	ZINC001588739364	961150968	/nfs/dbraw/zinc/15/09/68/961150968.db2.gz	NCGWHZUDAWBSSS-CYBMUJFWSA-N	0	0	301.503	3.337	20	50		DGGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]CCc1cc2ccc(C(=O)[O-])cc2o1	ZINC001594191378	998748024	/nfs/dbraw/zinc/74/80/24/998748024.db2.gz	XGTODFPLJSABBG-RJIBLYRGSA-N	0	0	307.777	3.136	20	50		DGGDRN
CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(OCCCCl)cc1	ZINC000901990316	980670174	/nfs/dbraw/zinc/67/01/74/980670174.db2.gz	XVZNVCBORILSBC-ZDUSSCGKSA-N	0	0	313.825	3.379	20	50		DGGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H](C(=O)[O-])c1cccc2ccccc21	ZINC001594190502	998739676	/nfs/dbraw/zinc/73/96/76/998739676.db2.gz	IGIXHLLMHSMMNJ-YVFQKMDQSA-N	0	0	303.789	3.428	20	50		DGGDRN
C[C@@H](C(=O)[O-])[NH+]1CCC(CO[Si](C)(C)C(C)(C)C)CC1	ZINC001602822053	971632192	/nfs/dbraw/zinc/63/21/92/971632192.db2.gz	YISDMAKXMHEZIG-LBPRGKRZSA-N	0	0	301.503	3.193	20	50		DGGDRN
O=C([O-])CC1([NH2+]C[C@@H](CBr)C2CC2)CCCCC1	ZINC001594983438	950994444	/nfs/dbraw/zinc/99/44/44/950994444.db2.gz	XXBZQKXWDFJUEU-GFCCVEGCSA-N	0	0	318.255	3.175	20	50		DGGDRN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1	ZINC001588739237	961145845	/nfs/dbraw/zinc/14/58/45/961145845.db2.gz	HNTJZIMBTPHPLS-KBPBESRZSA-N	0	0	313.514	3.336	20	50		DGGDRN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1	ZINC001594187906	998728940	/nfs/dbraw/zinc/72/89/40/998728940.db2.gz	NNAQWLWVPZGAAC-RVIYUIFMSA-N	0	0	318.804	3.098	20	50		DGGDRN
O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCCCl)cc1	ZINC000859805813	979636783	/nfs/dbraw/zinc/63/67/83/979636783.db2.gz	BYFOGOGVCPDIBD-CABCVRRESA-N	0	0	311.809	3.037	20	50		DGGDRN
C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]CCc1cc2ccc(C(=O)[O-])cc2o1	ZINC001594191375	998748025	/nfs/dbraw/zinc/74/80/25/998748025.db2.gz	XGTODFPLJSABBG-DYQSUWPFSA-N	0	0	307.777	3.136	20	50		DGGDRN
Cc1ccsc1C(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1	ZINC000826315403	947921958	/nfs/dbraw/zinc/92/19/58/947921958.db2.gz	IPZKFCKIVOVSFJ-XYOKQWHBSA-N	0	0	321.365	3.027	20	50		DGGDRN
O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902009280	980688185	/nfs/dbraw/zinc/68/81/85/980688185.db2.gz	DJBAQTKCPPATNU-AWEZNQCLSA-N	0	0	311.809	3.133	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001590451903	990016816	/nfs/dbraw/zinc/01/68/16/990016816.db2.gz	WECLKAGTSYAQPI-ZDUSSCGKSA-N	0	0	313.514	3.195	20	50		DGGDRN
CC(C)(C)[C@H]([NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC000901574116	980388768	/nfs/dbraw/zinc/38/87/68/980388768.db2.gz	HADWRKDKOADLFA-CQSZACIVSA-N	0	0	313.825	3.283	20	50		DGGDRN
O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(OCCCCl)cc1)C2	ZINC000901957655	980650335	/nfs/dbraw/zinc/65/03/35/980650335.db2.gz	BOYADGFFUMCBLL-KEYYUXOJSA-N	0	0	323.820	3.037	20	50		DGGDRN
C[C@H]1[C@H](C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)[C@H]1Cl	ZINC001594190499	998739707	/nfs/dbraw/zinc/73/97/07/998739707.db2.gz	IGIXHLLMHSMMNJ-BLQKSXIESA-N	0	0	303.789	3.428	20	50		DGGDRN
CC(C)[C@@H](C[NH2+]Cc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC001588831051	961721056	/nfs/dbraw/zinc/72/10/56/961721056.db2.gz	YBLAMQOGBNZAOS-OAHLLOKOSA-N	0	0	313.825	3.141	20	50		DGGDRN
CSSCC[NH2+][C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001599805077	988241903	/nfs/dbraw/zinc/24/19/03/988241903.db2.gz	XRPPNDCJKAJBDB-SNVBAGLBSA-N	0	0	309.815	3.206	20	50		DGGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1	ZINC001594187899	998728900	/nfs/dbraw/zinc/72/89/00/998728900.db2.gz	NNAQWLWVPZGAAC-DUZHOBMZSA-N	0	0	318.804	3.098	20	50		DGGDRN
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)n1	ZINC000820197557	945372560	/nfs/dbraw/zinc/37/25/60/945372560.db2.gz	LSMQRDLAFOIXRK-UITAMQMPSA-N	0	0	312.358	3.104	20	50		DGGDRN
CC(C)(C)[Si](C)(C)OCC1CC[NH+](CCC(=O)[O-])CC1	ZINC001573462422	958916388	/nfs/dbraw/zinc/91/63/88/958916388.db2.gz	AGUDTXVDOJBGQO-UHFFFAOYSA-N	0	0	301.503	3.195	20	50		DGGDRN