smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH]c([C@H]3CCCN(c4cc(C#N)c5ccccc5n4)C3)[nH+]c2c1	ZINC000568458106	568040091	/nfs/dbraw/zinc/04/00/91/568040091.db2.gz	TWYNLBBRYXCZGU-INIZCTEOSA-N	1	2	367.456	4.675	20	30		FJEDLO
Cn1ccnc1[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F	ZINC000568580495	568061053	/nfs/dbraw/zinc/06/10/53/568061053.db2.gz	PCKBNSBFWYNVSB-FCHUYYIVSA-N	1	2	374.463	4.578	20	30		FJEDLO
N#Cc1c(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cn2ccccc12	ZINC000568716399	568148825	/nfs/dbraw/zinc/14/88/25/568148825.db2.gz	VGVKENWLWABPKU-NRFANRHFSA-N	1	2	361.445	4.891	20	30		FJEDLO
Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1	ZINC000584694958	568296163	/nfs/dbraw/zinc/29/61/63/568296163.db2.gz	ARGBGVFXYDKQKU-YADHBBJMSA-N	1	2	374.463	4.578	20	30		FJEDLO
Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cs1	ZINC000569516046	568404622	/nfs/dbraw/zinc/40/46/22/568404622.db2.gz	YBKDLEYXZLMBTB-MRXNPFEDSA-N	1	2	351.397	4.679	20	30		FJEDLO
Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cs1	ZINC000569516046	568404623	/nfs/dbraw/zinc/40/46/23/568404623.db2.gz	YBKDLEYXZLMBTB-MRXNPFEDSA-N	1	2	351.397	4.679	20	30		FJEDLO
N#Cc1cc(NC(=O)c2ccccc2Oc2cc[nH+]cc2)nc2ccccc12	ZINC000569737045	568415097	/nfs/dbraw/zinc/41/50/97/568415097.db2.gz	PPXQDICUSBKSAG-UHFFFAOYSA-N	1	2	366.380	4.546	20	30		FJEDLO
Cn1c(CCSCc2ccc(C#N)cc2OC(F)F)[nH+]c2ccccc21	ZINC000570075829	568457341	/nfs/dbraw/zinc/45/73/41/568457341.db2.gz	PSWZCMRLBRPBPG-UHFFFAOYSA-N	1	2	373.428	4.522	20	30		FJEDLO
N#Cc1ccc(F)c(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1	ZINC000022134644	211340995	/nfs/dbraw/zinc/34/09/95/211340995.db2.gz	NKFIZAYIXBZDNT-IBGZPJMESA-N	1	2	354.475	4.968	20	30		FJEDLO
N#Cc1ccc(F)c(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1	ZINC000022134644	211340998	/nfs/dbraw/zinc/34/09/98/211340998.db2.gz	NKFIZAYIXBZDNT-IBGZPJMESA-N	1	2	354.475	4.968	20	30		FJEDLO
CC(C)C[C@@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)n1cc[nH+]c1	ZINC000602098346	567926281	/nfs/dbraw/zinc/92/62/81/567926281.db2.gz	QVASYTYYMUZHOU-RDJZCZTQSA-N	1	2	356.495	4.503	20	30		FJEDLO
C[C@@H](N[C@H](c1[nH+]ccn1C)c1ccccc1F)c1ccc(C#N)cc1Cl	ZINC000366013514	567926302	/nfs/dbraw/zinc/92/63/02/567926302.db2.gz	XOWWJSPYJMNPKC-YJYMSZOUSA-N	1	2	368.843	4.524	20	30		FJEDLO
N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1	ZINC000569648157	568411384	/nfs/dbraw/zinc/41/13/84/568411384.db2.gz	KOSLFYVLJFVURK-JOCHJYFZSA-N	1	2	371.488	4.755	20	30		FJEDLO
Cn1ccc([C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1	ZINC000481665313	568081027	/nfs/dbraw/zinc/08/10/27/568081027.db2.gz	CCSFZPHKYHLQGC-FYYLOGMGSA-N	1	2	374.463	4.578	20	30		FJEDLO
Cc1ccc2[nH]c([C@@H]3CCCN(c4c(C#N)cnc5ccccc54)C3)[nH+]c2c1	ZINC000568692579	568123806	/nfs/dbraw/zinc/12/38/06/568123806.db2.gz	ZPMMBXSSQAZUAR-MRXNPFEDSA-N	1	2	367.456	4.675	20	30		FJEDLO
CC[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	ZINC000603658121	568134119	/nfs/dbraw/zinc/13/41/19/568134119.db2.gz	MKWRFNBHAQHGOF-UHFFFAOYSA-N	1	2	364.493	4.526	20	30		FJEDLO
CC[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	ZINC000603658121	568134120	/nfs/dbraw/zinc/13/41/20/568134120.db2.gz	MKWRFNBHAQHGOF-UHFFFAOYSA-N	1	2	364.493	4.526	20	30		FJEDLO
C[C@H](c1nnc(SCCCCC#N)n1-c1ccccc1)[NH+]1CCCCC1	ZINC000603818303	568147729	/nfs/dbraw/zinc/14/77/29/568147729.db2.gz	XPTBPYWPHKCSRZ-QGZVFWFLSA-N	1	2	369.538	4.600	20	30		FJEDLO
C=CCCCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1	ZINC000605076531	568554376	/nfs/dbraw/zinc/55/43/76/568554376.db2.gz	KWLFAJFHLLTBFA-QGZVFWFLSA-N	1	2	356.539	4.873	20	30		FJEDLO
N#Cc1cnc2c(F)c(F)c(F)cc2c1Oc1cccc(-n2cc[nH+]c2)c1	ZINC000568097167	567879419	/nfs/dbraw/zinc/87/94/19/567879419.db2.gz	NTCNEQRCTKHGGT-UHFFFAOYSA-N	1	2	366.302	4.502	20	30		FJEDLO
Cn1ccnc1[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1	ZINC000584694956	568286866	/nfs/dbraw/zinc/28/68/66/568286866.db2.gz	ARGBGVFXYDKQKU-FGZHOGPDSA-N	1	2	374.463	4.578	20	30		FJEDLO
Cn1ccc([C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1	ZINC000481665316	568083820	/nfs/dbraw/zinc/08/38/20/568083820.db2.gz	CCSFZPHKYHLQGC-GMAHTHKFSA-N	1	2	374.463	4.578	20	30		FJEDLO
Cc1ccc2[nH]c([C@H]3CCCN(c4c(C#N)cnc5ccccc54)C3)[nH+]c2c1	ZINC000568692578	568123792	/nfs/dbraw/zinc/12/37/92/568123792.db2.gz	ZPMMBXSSQAZUAR-INIZCTEOSA-N	1	2	367.456	4.675	20	30		FJEDLO
N#Cc1ccccc1-c1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1	ZINC000569648158	568411409	/nfs/dbraw/zinc/41/14/09/568411409.db2.gz	KOSLFYVLJFVURK-QFIPXVFZSA-N	1	2	371.488	4.755	20	30		FJEDLO
CC(C)C[C@@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)n1cc[nH+]c1	ZINC000602098348	567926315	/nfs/dbraw/zinc/92/63/15/567926315.db2.gz	QVASYTYYMUZHOU-WBVHZDCISA-N	1	2	356.495	4.503	20	30		FJEDLO
Cn1ccnc1[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F	ZINC000568580497	568061123	/nfs/dbraw/zinc/06/11/23/568061123.db2.gz	PCKBNSBFWYNVSB-VXKWHMMOSA-N	1	2	374.463	4.578	20	30		FJEDLO
C[C@@H](c1nnc(SCCCCC#N)n1-c1ccccc1)[NH+]1CCCCC1	ZINC000603818302	568147784	/nfs/dbraw/zinc/14/77/84/568147784.db2.gz	XPTBPYWPHKCSRZ-KRWDZBQOSA-N	1	2	369.538	4.600	20	30		FJEDLO
Cn1ccnc1[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1	ZINC000584694957	568281390	/nfs/dbraw/zinc/28/13/90/568281390.db2.gz	ARGBGVFXYDKQKU-VXKWHMMOSA-N	1	2	374.463	4.578	20	30		FJEDLO
C=CCOc1ccccc1C[NH2+]Cc1c(Cl)cccc1OC(F)F	ZINC000602909511	568010838	/nfs/dbraw/zinc/01/08/38/568010838.db2.gz	XLNBGJGVQSUCMW-UHFFFAOYSA-N	1	2	353.796	4.796	20	30		FJEDLO
Cn1ccc([C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1	ZINC000481665318	568080981	/nfs/dbraw/zinc/08/09/81/568080981.db2.gz	CCSFZPHKYHLQGC-JTHBVZDNSA-N	1	2	374.463	4.578	20	30		FJEDLO
Cc1ccc(C)n1C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1	ZINC000569914464	568436384	/nfs/dbraw/zinc/43/63/84/568436384.db2.gz	HQNUSFXMZKAQNY-UHFFFAOYSA-N	1	2	372.310	4.576	20	30		FJEDLO
N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCCC4)[C@H]3c3ccccc3)o2)c1	ZINC000570680506	568495168	/nfs/dbraw/zinc/49/51/68/568495168.db2.gz	AXUSALGOXMGYLL-OAQYLSRUSA-N	1	2	370.456	4.726	20	30		FJEDLO
N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCCC4)[C@H]3c3ccccc3)o2)c1	ZINC000570680506	568495169	/nfs/dbraw/zinc/49/51/69/568495169.db2.gz	AXUSALGOXMGYLL-OAQYLSRUSA-N	1	2	370.456	4.726	20	30		FJEDLO
Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F	ZINC000568580498	568061377	/nfs/dbraw/zinc/06/13/77/568061377.db2.gz	PCKBNSBFWYNVSB-YADHBBJMSA-N	1	2	374.463	4.578	20	30		FJEDLO
C[C@H](N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)c1ccc(C#N)cc1Cl	ZINC000366013058	567925595	/nfs/dbraw/zinc/92/55/95/567925595.db2.gz	WMQQQVVSVAKDSO-DJJJIMSYSA-N	1	2	368.843	4.524	20	30		FJEDLO
C[C@H](N[C@@H](c1[nH+]ccn1C)c1ccccc1F)c1ccc(C#N)cc1Cl	ZINC000366013513	567926311	/nfs/dbraw/zinc/92/63/11/567926311.db2.gz	XOWWJSPYJMNPKC-ORAYPTAESA-N	1	2	368.843	4.524	20	30		FJEDLO
C=CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1	ZINC000605076194	568554284	/nfs/dbraw/zinc/55/42/84/568554284.db2.gz	PPMOKZGQHWCPGV-UHFFFAOYSA-N	1	2	362.930	4.575	20	30		FJEDLO
Cc1ccc2[nH]c([C@@H]3CCCN(c4cc(C#N)c5ccccc5n4)C3)[nH+]c2c1	ZINC000568458107	568040064	/nfs/dbraw/zinc/04/00/64/568040064.db2.gz	TWYNLBBRYXCZGU-MRXNPFEDSA-N	1	2	367.456	4.675	20	30		FJEDLO
Cn1ccc([C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1	ZINC000481665315	568083640	/nfs/dbraw/zinc/08/36/40/568083640.db2.gz	CCSFZPHKYHLQGC-GGAORHGYSA-N	1	2	374.463	4.578	20	30		FJEDLO
C[C@@H](N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)c1ccc(C#N)cc1Cl	ZINC000366013060	567925684	/nfs/dbraw/zinc/92/56/84/567925684.db2.gz	WMQQQVVSVAKDSO-YJYMSZOUSA-N	1	2	368.843	4.524	20	30		FJEDLO
C[C@H](N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)c1ccc(C#N)cc1Cl	ZINC000366013059	567925660	/nfs/dbraw/zinc/92/56/60/567925660.db2.gz	WMQQQVVSVAKDSO-ORAYPTAESA-N	1	2	368.843	4.524	20	30		FJEDLO
N#Cc1c(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cn2ccccc12	ZINC000568716400	568148861	/nfs/dbraw/zinc/14/88/61/568148861.db2.gz	VGVKENWLWABPKU-OAQYLSRUSA-N	1	2	361.445	4.891	20	30		FJEDLO
C=CCOc1cccc(NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)c1	ZINC000604224902	568229170	/nfs/dbraw/zinc/22/91/70/568229170.db2.gz	PHGKIAZJUMVDBC-UHFFFAOYSA-N	1	2	360.413	4.999	20	30		FJEDLO
C[C@@H](N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)c1ccc(C#N)cc1Cl	ZINC000366013057	567925643	/nfs/dbraw/zinc/92/56/43/567925643.db2.gz	WMQQQVVSVAKDSO-BFUOFWGJSA-N	1	2	368.843	4.524	20	30		FJEDLO
Cn1ccnc1[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F	ZINC000568580496	568061067	/nfs/dbraw/zinc/06/10/67/568061067.db2.gz	PCKBNSBFWYNVSB-FGZHOGPDSA-N	1	2	374.463	4.578	20	30		FJEDLO
C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000603837470	568159950	/nfs/dbraw/zinc/15/99/50/568159950.db2.gz	WYIULZVPIUQKLC-UHFFFAOYSA-N	1	2	352.843	4.507	20	30		FJEDLO
C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000603837470	568159951	/nfs/dbraw/zinc/15/99/51/568159951.db2.gz	WYIULZVPIUQKLC-UHFFFAOYSA-N	1	2	352.843	4.507	20	30		FJEDLO
Cn1ccnc1[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1	ZINC000584694955	568270040	/nfs/dbraw/zinc/27/00/40/568270040.db2.gz	ARGBGVFXYDKQKU-FCHUYYIVSA-N	1	2	374.463	4.578	20	30		FJEDLO
C[C@H](N[C@H](c1[nH+]ccn1C)c1ccccc1F)c1ccc(C#N)cc1Cl	ZINC000366013512	567926223	/nfs/dbraw/zinc/92/62/23/567926223.db2.gz	XOWWJSPYJMNPKC-DJJJIMSYSA-N	1	2	368.843	4.524	20	30		FJEDLO
CC(C)C[C@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)n1cc[nH+]c1	ZINC000602098338	567926287	/nfs/dbraw/zinc/92/62/87/567926287.db2.gz	QVASYTYYMUZHOU-DOTOQJQBSA-N	1	2	356.495	4.503	20	30		FJEDLO
CC(C)C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)n1cc[nH+]c1	ZINC000602098344	567926319	/nfs/dbraw/zinc/92/63/19/567926319.db2.gz	QVASYTYYMUZHOU-NVXWUHKLSA-N	1	2	356.495	4.503	20	30		FJEDLO
N#Cc1ccc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)nc1	ZINC000570577544	568487444	/nfs/dbraw/zinc/48/74/44/568487444.db2.gz	QBJDDYKGYZYPRL-UHFFFAOYSA-N	1	2	367.437	4.595	20	30		FJEDLO
C=CCCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1	ZINC000605076530	568554392	/nfs/dbraw/zinc/55/43/92/568554392.db2.gz	KWLFAJFHLLTBFA-KRWDZBQOSA-N	1	2	356.539	4.873	20	30		FJEDLO