smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000002132654	204027085	/nfs/dbraw/zinc/02/70/85/204027085.db2.gz	JSAHWRWJVNYPMA-ZPVUCFGCSA-N	1	0	360.518	4.287	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12	ZINC000005390413	204207074	/nfs/dbraw/zinc/20/70/74/204207074.db2.gz	OXHLLQBQFXYRIF-UHFFFAOYSA-N	1	0	370.518	4.485	40	5		FIBBRO
Nc1nc(-c2ccc(Br)cc2)cc2c3ccccc3oc(=[NH2+])c12	ZINC000005604903	204217577	/nfs/dbraw/zinc/21/75/77/204217577.db2.gz	YXHPHAQAGIPUQW-UHFFFAOYSA-N	1	0	366.218	4.472	40	5		FIBBRO
CCOc1ccc2ccccc2c1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000006870577	263348047	/nfs/dbraw/zinc/34/80/47/263348047.db2.gz	JDNSDIFAKCSZTJ-UHFFFAOYSA-N	1	0	365.433	4.348	40	5		FIBBRO
COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC	ZINC000001659854	204016641	/nfs/dbraw/zinc/01/66/41/204016641.db2.gz	XBPUQLWKZKQIEP-UHFFFAOYSA-N	1	0	364.421	4.005	40	5		FIBBRO
Cc1nc2ccccc2c2c(NC(=O)C[NH+]3CCCCC3)c3ccccc3n21	ZINC000001876143	204021607	/nfs/dbraw/zinc/02/16/07/204021607.db2.gz	OSVSDVDTNCVUPF-UHFFFAOYSA-N	1	0	372.472	4.374	40	5		FIBBRO
CC[N+](C)(CC)Cc1cc(Cc2ccccc2)ccc1OC(=O)N(C)C	ZINC000001707019	570504815	/nfs/dbraw/zinc/50/48/15/570504815.db2.gz	PEFFKUDGRAUSDZ-UHFFFAOYSA-N	1	0	355.502	4.324	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000036640181	570842114	/nfs/dbraw/zinc/84/21/14/570842114.db2.gz	IPPAGWXEPGGWKT-NEUFXUDDSA-N	1	0	372.573	4.247	40	5		FIBBRO
Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1	ZINC000039757837	571026272	/nfs/dbraw/zinc/02/62/72/571026272.db2.gz	PTEVHBWKPQGDRP-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000006949736	571255296	/nfs/dbraw/zinc/25/52/96/571255296.db2.gz	XHZKLIQBRADMFL-UHFFFAOYSA-N	1	0	361.829	4.342	40	5		FIBBRO
CCCCCC[C@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC	ZINC000005047564	204188205	/nfs/dbraw/zinc/18/82/05/204188205.db2.gz	YGBMPQIQWQZPLI-MAUKXSAKSA-N	1	0	350.459	4.336	40	5		FIBBRO
C[C@@H]1CC(C)(C)[N+](C)(CCC(C(N)=O)(c2ccccc2)c2ccccc2)C1	ZINC000001653264	204016142	/nfs/dbraw/zinc/01/61/42/204016142.db2.gz	ZARGJXAZKJLDCN-ICCFGIFFSA-O	1	0	365.541	4.113	40	5		FIBBRO
C[C@@H]1CCC[C@@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001653268	204016596	/nfs/dbraw/zinc/01/65/96/204016596.db2.gz	WUXYHGRAKMMVOK-WOJBJXKFSA-O	1	0	365.541	4.256	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3c(O)cccc3c(=O)c12	ZINC000005390321	204206863	/nfs/dbraw/zinc/20/68/63/204206863.db2.gz	OAHHECRFMSRBFI-UHFFFAOYSA-N	1	0	356.491	4.182	40	5		FIBBRO
Cc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1	ZINC000226071588	206120732	/nfs/dbraw/zinc/12/07/32/206120732.db2.gz	AYHNPFDGIWBQFV-HXUWFJFHSA-N	1	0	356.530	4.309	40	5		FIBBRO
COc1c(Cl)cc(Cl)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000007274816	263349536	/nfs/dbraw/zinc/34/95/36/263349536.db2.gz	IHMFPUREJBNZJS-UHFFFAOYSA-N	1	0	370.236	4.112	40	5		FIBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000020110359	571327959	/nfs/dbraw/zinc/32/79/59/571327959.db2.gz	FNPHYNSDAOAJAX-UHFFFAOYSA-N	1	0	367.449	4.387	40	5		FIBBRO
CC[N+](C)(CC)CCOC(=O)c1ccccc1CCC(=O)c1ccccc1	ZINC000005469330	204210934	/nfs/dbraw/zinc/21/09/34/204210934.db2.gz	IECKRSNIDMMODW-UHFFFAOYSA-N	1	0	368.497	4.145	40	5		FIBBRO
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2	ZINC000012371967	568516718	/nfs/dbraw/zinc/51/67/18/568516718.db2.gz	WYWQCKGEIUFJRD-WCRBZPEASA-N	1	0	350.482	4.132	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl	ZINC000041690083	571209620	/nfs/dbraw/zinc/20/96/20/571209620.db2.gz	WJVGHGOYDUSZCJ-MRXNPFEDSA-N	1	0	355.285	4.010	40	5		FIBBRO
C[N+]1(CCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1	ZINC000004566345	204147689	/nfs/dbraw/zinc/14/76/89/204147689.db2.gz	OVPQTPLHEVNNCX-UHFFFAOYSA-N	1	0	356.530	4.010	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccccc1-c1ccccc1	ZINC000226072757	206119937	/nfs/dbraw/zinc/11/99/37/206119937.db2.gz	AKUHMZWFGSONOM-JOCHJYFZSA-N	1	0	362.493	4.370	40	5		FIBBRO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000006949714	571255233	/nfs/dbraw/zinc/25/52/33/571255233.db2.gz	HJIXJAQSHKZZSN-UHFFFAOYSA-N	1	0	361.829	4.342	40	5		FIBBRO
COc1cc2cc3c4cc(OC)c(OC)cc4cc(C)[n+]3cc2cc1OC	ZINC000001557667	204012556	/nfs/dbraw/zinc/01/25/56/204012556.db2.gz	GMPFYSPIYKEORH-UHFFFAOYSA-N	1	0	364.421	4.075	40	5		FIBBRO
CCCCCC[C@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC	ZINC000005047567	204188482	/nfs/dbraw/zinc/18/84/82/204188482.db2.gz	YGBMPQIQWQZPLI-YJBOKZPZSA-N	1	0	350.459	4.336	40	5		FIBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000038859762	205044034	/nfs/dbraw/zinc/04/40/34/205044034.db2.gz	IRIORMKLBAUBKP-OAHLLOKOSA-N	1	0	367.449	4.387	40	5		FIBBRO
C[N+](C)(Cc1ccccc1Cl)C[C@H](O)CNc1ccccc1Cl	ZINC000003148557	204079530	/nfs/dbraw/zinc/07/95/30/204079530.db2.gz	OONHIVVWTCZCMJ-OAHLLOKOSA-N	1	0	354.301	4.043	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3cccc(O)c3c(=O)c12	ZINC000100825931	570508442	/nfs/dbraw/zinc/50/84/42/570508442.db2.gz	MCNKXSQAPNQEOV-UHFFFAOYSA-N	1	0	356.491	4.182	40	5		FIBBRO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2ccccc2)CC1	ZINC000009062859	570802752	/nfs/dbraw/zinc/80/27/52/570802752.db2.gz	UPDCIBFUZMRULJ-UHFFFAOYSA-N	1	0	373.840	4.099	40	5		FIBBRO
COc1ccc(Cl)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000007524109	263351906	/nfs/dbraw/zinc/35/19/06/263351906.db2.gz	GXGQTFRHGATAEV-UHFFFAOYSA-N	1	0	370.236	4.112	40	5		FIBBRO
COc1ccc(C(=O)CC[N+](C)(C)Cc2cc(C)cc(C)c2)cc1OC	ZINC000003039310	570886332	/nfs/dbraw/zinc/88/63/32/570886332.db2.gz	PCWFOURRKTYUKJ-UHFFFAOYSA-N	1	0	356.486	4.170	40	5		FIBBRO
Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000039762706	571065693	/nfs/dbraw/zinc/06/56/93/571065693.db2.gz	FXCTVKRNLLTLGU-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
Cc1cccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c1	ZINC000226072704	209365592	/nfs/dbraw/zinc/36/55/92/209365592.db2.gz	LYSSAAKZJTWZRD-QFIPXVFZSA-N	1	0	354.514	4.326	40	5		FIBBRO
C[C@H]1C[C@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000036631442	208168032	/nfs/dbraw/zinc/16/80/32/208168032.db2.gz	WQLBOYUQYLFYDC-IPJJNNNSSA-N	1	0	354.514	4.216	40	5		FIBBRO
CSc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008496858	263355180	/nfs/dbraw/zinc/35/51/80/263355180.db2.gz	ZWWXXUMBXMPYJM-UHFFFAOYSA-N	1	0	351.859	4.172	40	5		FIBBRO
C[N+]12CCCC[C@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	ZINC000001322289	570642647	/nfs/dbraw/zinc/64/26/47/570642647.db2.gz	XUNGHYMVYCTHPS-GGGSXUAESA-N	1	0	356.530	4.451	40	5		FIBBRO
O=C(OCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001716176	571166504	/nfs/dbraw/zinc/16/65/04/571166504.db2.gz	AYAZXGLTNHUUJP-UHFFFAOYSA-N	1	0	374.824	4.201	40	5		FIBBRO
Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1	ZINC000009063062	571302567	/nfs/dbraw/zinc/30/25/67/571302567.db2.gz	RPLFQAGUZHAYTP-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
C[N+]1(C)CCN(CCCN2c3ccccc3Sc3ccccc32)CC1	ZINC000001705063	132382240	/nfs/dbraw/zinc/38/22/40/132382240.db2.gz	VRUNULWSZZYRAY-UHFFFAOYSA-N	1	0	354.543	4.071	40	5		FIBBRO
CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005962528	571169582	/nfs/dbraw/zinc/16/95/82/571169582.db2.gz	HHAOCCQXJYDURV-OAHLLOKOSA-N	1	0	350.459	4.191	40	5		FIBBRO
COc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1	ZINC000226071327	209365119	/nfs/dbraw/zinc/36/51/19/209365119.db2.gz	ZIXHTIMIFSJILQ-IBGZPJMESA-N	1	0	372.529	4.009	40	5		FIBBRO
C[C@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001653269	206890590	/nfs/dbraw/zinc/89/05/90/206890590.db2.gz	WUXYHGRAKMMVOK-PMACEKPBSA-O	1	0	365.541	4.256	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000017076531	263372235	/nfs/dbraw/zinc/37/22/35/263372235.db2.gz	QKFKHARPXICTGE-UHFFFAOYSA-N	1	0	373.840	4.486	40	5		FIBBRO
C[N+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	ZINC000000794880	570641543	/nfs/dbraw/zinc/64/15/43/570641543.db2.gz	XUNGHYMVYCTHPS-WXFOFVMLSA-N	1	0	356.530	4.451	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000036640182	570842244	/nfs/dbraw/zinc/84/22/44/570842244.db2.gz	IPPAGWXEPGGWKT-XCBYWJNASA-N	1	0	372.573	4.247	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000226072038	209366189	/nfs/dbraw/zinc/36/61/89/209366189.db2.gz	SPYPNLYLEOLZKJ-QHCPKHFHSA-N	1	0	362.493	4.370	40	5		FIBBRO
C[N+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@@H](c2ccccc2)C1	ZINC000001251684	570642280	/nfs/dbraw/zinc/64/22/80/570642280.db2.gz	ZGCCWLQRVUYKHK-CGHJUBPDSA-N	1	0	366.481	4.055	40	5		FIBBRO
C[C@H]1CC(C)(C)[N+](C)(CCC(C(N)=O)(c2ccccc2)c2ccccc2)C1	ZINC000001653263	206890544	/nfs/dbraw/zinc/89/05/44/206890544.db2.gz	ZARGJXAZKJLDCN-SXMXNQBWSA-O	1	0	365.541	4.113	40	5		FIBBRO
CCCCCC[C@@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC	ZINC000005047566	207076798	/nfs/dbraw/zinc/07/67/98/207076798.db2.gz	YGBMPQIQWQZPLI-QAPCUYQASA-N	1	0	350.459	4.336	40	5		FIBBRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000038853959	208209297	/nfs/dbraw/zinc/20/92/97/208209297.db2.gz	QNMRKZONWZRTBF-OAHLLOKOSA-N	1	0	353.422	4.079	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12	ZINC000004522710	207024676	/nfs/dbraw/zinc/02/46/76/207024676.db2.gz	YGJLVGQKEYEPAW-UHFFFAOYSA-N	1	0	371.462	4.077	40	5		FIBBRO
CC[NH+](CC)CCNc1c(O)cc(C)c2sc3ccccc3c(=O)c12	ZINC000005390092	207098797	/nfs/dbraw/zinc/09/87/97/207098797.db2.gz	KAEPIGKWCOVABV-UHFFFAOYSA-N	1	0	356.491	4.182	40	5		FIBBRO
C[C@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006494949	207142134	/nfs/dbraw/zinc/14/21/34/207142134.db2.gz	CKQUGTLMDCGMRA-INIZCTEOSA-N	1	0	368.433	4.326	40	5		FIBBRO
CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1	ZINC000000608300	570438292	/nfs/dbraw/zinc/43/82/92/570438292.db2.gz	NGOHTJBYABHJKF-UHFFFAOYSA-O	1	0	362.497	4.426	40	5	in-man	FIBBRO
COc1cc2cc3cc4cc(OC)c(OC)cc4c(C)[n+]3cc2cc1OC	ZINC000001725048	570506053	/nfs/dbraw/zinc/50/60/53/570506053.db2.gz	SWNYVAFICNDYTI-UHFFFAOYSA-N	1	0	364.421	4.075	40	5		FIBBRO
CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000006949697	571255241	/nfs/dbraw/zinc/25/52/41/571255241.db2.gz	MUZDYBPLLRAECJ-UHFFFAOYSA-N	1	0	361.829	4.342	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000017074170	571274819	/nfs/dbraw/zinc/27/48/19/571274819.db2.gz	WSRXJIINWDLRKH-UHFFFAOYSA-N	1	0	359.813	4.096	40	5		FIBBRO
Cc1c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000010364975	571303269	/nfs/dbraw/zinc/30/32/69/571303269.db2.gz	VANRYTGXOCKNHP-UHFFFAOYSA-N	1	0	353.422	4.141	40	5		FIBBRO
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000001322579	219395254	/nfs/dbraw/zinc/39/52/54/219395254.db2.gz	JSAHWRWJVNYPMA-CKALXEAQSA-N	1	0	360.518	4.287	40	5		FIBBRO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010334610	263365020	/nfs/dbraw/zinc/36/50/20/263365020.db2.gz	LNMRFLROYQAMCA-UHFFFAOYSA-N	1	0	373.840	4.486	40	5		FIBBRO
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1	ZINC000004026677	570663440	/nfs/dbraw/zinc/66/34/40/570663440.db2.gz	JSAHWRWJVNYPMA-SZUFIYSYSA-N	1	0	360.518	4.287	40	5		FIBBRO
Cc1ccc(COC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1	ZINC000226072728	222882751	/nfs/dbraw/zinc/88/27/51/222882751.db2.gz	JSELTMYUAGMOMG-DEOSSOPVSA-N	1	0	368.541	4.464	40	5		FIBBRO
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005187344	570629334	/nfs/dbraw/zinc/62/93/34/570629334.db2.gz	CKQUGTLMDCGMRA-MRXNPFEDSA-N	1	0	368.433	4.326	40	5		FIBBRO
C[C@@H]1C[C@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000036631441	571080603	/nfs/dbraw/zinc/08/06/03/571080603.db2.gz	WQLBOYUQYLFYDC-ILLUCPLUSA-N	1	0	354.514	4.216	40	5		FIBBRO
C[N+]1(Cc2cc3c(cc2Cl)OCO3)CCc2[nH]c3ccccc3c2C1	ZINC000001323372	219394596	/nfs/dbraw/zinc/39/45/96/219394596.db2.gz	CUTVRWJYIZPKLM-UHFFFAOYSA-N	1	0	355.845	4.253	40	5		FIBBRO
C[N+](C)(CCCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1	ZINC000068605954	221316672	/nfs/dbraw/zinc/31/66/72/221316672.db2.gz	KPJINYZCILKKPP-OAQYLSRUSA-N	1	0	352.498	4.381	40	5		FIBBRO
COc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1	ZINC000226071344	570610359	/nfs/dbraw/zinc/61/03/59/570610359.db2.gz	ZIXHTIMIFSJILQ-LJQANCHMSA-N	1	0	372.529	4.009	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3c(OC)cccc3c(=O)c12	ZINC000005390320	570625828	/nfs/dbraw/zinc/62/58/28/570625828.db2.gz	HRBKMMIXKMQPLR-UHFFFAOYSA-N	1	0	370.518	4.485	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000038853865	571051402	/nfs/dbraw/zinc/05/14/02/571051402.db2.gz	QGRJIPUHLXUITJ-HNNXBMFYSA-N	1	0	373.840	4.099	40	5		FIBBRO
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C	ZINC000001530668	210357445	/nfs/dbraw/zinc/35/74/45/210357445.db2.gz	JTPUMZTWMWIVPA-UHFFFAOYSA-O	1	0	353.530	4.112	40	5	world	FIBBRO
CCCCCC[C@@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC	ZINC000005047563	570578676	/nfs/dbraw/zinc/57/86/76/570578676.db2.gz	YGBMPQIQWQZPLI-CRAIPNDOSA-N	1	0	350.459	4.336	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000017074171	571274881	/nfs/dbraw/zinc/27/48/81/571274881.db2.gz	FPTQZHKFFSFDCA-UHFFFAOYSA-N	1	0	359.813	4.096	40	5		FIBBRO
Cc1cc(Cl)ccc1OC[C@@H](O)C[N+]1(Cc2ccccc2)CCCC1	ZINC000041690117	210046082	/nfs/dbraw/zinc/04/60/82/210046082.db2.gz	UGNCEOPNAJKANY-FQEVSTJZSA-N	1	0	360.905	4.199	40	5		FIBBRO
O[C@H](COC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1	ZINC000036640196	211133552	/nfs/dbraw/zinc/13/35/52/211133552.db2.gz	BZEHIMUZYVYPLC-NEUFXUDDSA-N	1	0	370.557	4.144	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000038853879	571051512	/nfs/dbraw/zinc/05/15/12/571051512.db2.gz	KTVRVSGAOZHGJH-HNNXBMFYSA-N	1	0	373.840	4.099	40	5		FIBBRO
C[C@@H]1C[C@H](C)C[N@@+](C)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000245229392	571137034	/nfs/dbraw/zinc/13/70/34/571137034.db2.gz	WQLBOYUQYLFYDC-PDXXHEQOSA-N	1	0	354.514	4.216	40	5		FIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(F)cccc2Cl)c(Cl)c1	ZINC000016383712	571176781	/nfs/dbraw/zinc/17/67/81/571176781.db2.gz	KZMFIYSBVAWESS-UHFFFAOYSA-N	1	0	358.200	4.242	40	5		FIBBRO
Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1	ZINC000009063061	571302590	/nfs/dbraw/zinc/30/25/90/571302590.db2.gz	QQMBPTGWZGPCHZ-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
CCCC[NH+](CCCC)CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1C	ZINC000001676667	210365761	/nfs/dbraw/zinc/36/57/61/210365761.db2.gz	HAZWXEPYGSVVDV-UHFFFAOYSA-N	1	0	350.459	4.271	40	5		FIBBRO
Cc1ccc2c(c1)N(CCCN1CC[N+](C)(C)CC1)c1ccccc1S2	ZINC000001705060	132382223	/nfs/dbraw/zinc/38/22/23/132382223.db2.gz	HBWASBZNRNHUTB-UHFFFAOYSA-N	1	0	368.570	4.380	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000017076530	263372440	/nfs/dbraw/zinc/37/24/40/263372440.db2.gz	IMOUKVZDXMEEEF-UHFFFAOYSA-N	1	0	373.840	4.486	40	5		FIBBRO
COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCC[NH+](C)C	ZINC000005390121	570625822	/nfs/dbraw/zinc/62/58/22/570625822.db2.gz	QEORQGPFDBYWHO-UHFFFAOYSA-N	1	0	356.491	4.095	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000038853876	571051379	/nfs/dbraw/zinc/05/13/79/571051379.db2.gz	KTVRVSGAOZHGJH-OAHLLOKOSA-N	1	0	373.840	4.099	40	5		FIBBRO
Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1	ZINC000009063158	571302579	/nfs/dbraw/zinc/30/25/79/571302579.db2.gz	YJUZZWAYTQCUMM-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
C[N+]12CCCC[C@H]1[C@@H](COC(=O)Cc1cccc3ccccc31)CCC2	ZINC000004028460	219535544	/nfs/dbraw/zinc/53/55/44/219535544.db2.gz	FQTGQVXSCBPNGP-ZZNRJTPNSA-N	1	0	352.498	4.335	40	5		FIBBRO
C[C@@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000016968605	211173448	/nfs/dbraw/zinc/17/34/48/211173448.db2.gz	WUXYHGRAKMMVOK-NJEHHLDASA-O	1	0	365.541	4.256	40	5		FIBBRO
COc1ccc2c(cc[n+]3c(C)c4cc(OC)c(OC)cc4cc23)c1OC	ZINC000001735200	210367816	/nfs/dbraw/zinc/36/78/16/210367816.db2.gz	GDWMQAOIMHCNTB-UHFFFAOYSA-N	1	0	364.421	4.075	40	5		FIBBRO
C[NH+](C)Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc21	ZINC000001688829	210365915	/nfs/dbraw/zinc/36/59/15/210365915.db2.gz	NWCHWQCXSXAIQI-UHFFFAOYSA-N	1	0	350.374	4.029	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000017076532	263372429	/nfs/dbraw/zinc/37/24/29/263372429.db2.gz	CGUNWESLNHMAPX-UHFFFAOYSA-N	1	0	373.840	4.486	40	5		FIBBRO
Cc1cc(C)c(NC[C@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1	ZINC000000859274	219332455	/nfs/dbraw/zinc/33/24/55/219332455.db2.gz	JIMCDFDQNFVIQB-IBGZPJMESA-N	1	0	361.937	4.315	40	5		FIBBRO
Cc1cc(Cl)ccc1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	ZINC000041690114	570859344	/nfs/dbraw/zinc/85/93/44/570859344.db2.gz	UGNCEOPNAJKANY-HXUWFJFHSA-N	1	0	360.905	4.199	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000009063218	571302507	/nfs/dbraw/zinc/30/25/07/571302507.db2.gz	SSBYMNJCYKOIOE-UHFFFAOYSA-N	1	0	373.840	4.099	40	5		FIBBRO
Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1	ZINC000000859278	219331547	/nfs/dbraw/zinc/33/15/47/219331547.db2.gz	JIMCDFDQNFVIQB-LJQANCHMSA-N	1	0	361.937	4.315	40	5		FIBBRO
C[N+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@H](c2ccccc2)C1	ZINC000001251686	219393032	/nfs/dbraw/zinc/39/30/32/219393032.db2.gz	ZGCCWLQRVUYKHK-QHELBMECSA-N	1	0	366.481	4.055	40	5		FIBBRO
Cc1c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cccc1[N+](=O)[O-]	ZINC000020110306	220312011	/nfs/dbraw/zinc/31/20/11/220312011.db2.gz	ZYCVRWGHTIJALQ-UHFFFAOYSA-N	1	0	367.449	4.387	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000038853957	220861021	/nfs/dbraw/zinc/86/10/21/220861021.db2.gz	ZABSTJCEPKRINL-UHFFFAOYSA-N	1	0	353.422	4.223	40	5		FIBBRO
Cc1c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000020455446	263380009	/nfs/dbraw/zinc/38/00/09/263380009.db2.gz	VOUJJJSHRGUEJO-OAHLLOKOSA-N	1	0	367.449	4.387	40	5		FIBBRO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH+]3CCCC3)c2n1	ZINC000001558201	570501911	/nfs/dbraw/zinc/50/19/11/570501911.db2.gz	OHPZUVWJMBDZHL-UHFFFAOYSA-N	1	0	370.884	4.343	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12	ZINC000005390415	570625894	/nfs/dbraw/zinc/62/58/94/570625894.db2.gz	FOKHGBOYBLIJFC-UHFFFAOYSA-N	1	0	356.491	4.182	40	5		FIBBRO
Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000039755948	571065149	/nfs/dbraw/zinc/06/51/49/571065149.db2.gz	VTQVWFMWRJMBIR-UHFFFAOYSA-N	1	0	367.449	4.062	40	5		FIBBRO
Cc1ccc(COC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1	ZINC000226072740	570610989	/nfs/dbraw/zinc/61/09/89/570610989.db2.gz	JSELTMYUAGMOMG-XMMPIXPASA-N	1	0	368.541	4.464	40	5		FIBBRO
C[C@@H]1C[C@@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000036631443	571080528	/nfs/dbraw/zinc/08/05/28/571080528.db2.gz	WQLBOYUQYLFYDC-KNKQGSTJSA-N	1	0	354.514	4.216	40	5		FIBBRO
C[C@@H]1C[C@@H](C)C[N+](C)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000226702639	571137026	/nfs/dbraw/zinc/13/70/26/571137026.db2.gz	WQLBOYUQYLFYDC-WOIUINJBSA-N	1	0	354.514	4.216	40	5		FIBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010363496	571303167	/nfs/dbraw/zinc/30/31/67/571303167.db2.gz	NZLIMPBJNGGVQP-UHFFFAOYSA-N	1	0	353.422	4.141	40	5		FIBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000038859758	571051964	/nfs/dbraw/zinc/05/19/64/571051964.db2.gz	IRIORMKLBAUBKP-HNNXBMFYSA-N	1	0	367.449	4.387	40	5		FIBBRO
Cc1cccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c1	ZINC000226072714	570610824	/nfs/dbraw/zinc/61/08/24/570610824.db2.gz	LYSSAAKZJTWZRD-JOCHJYFZSA-N	1	0	354.514	4.326	40	5		FIBBRO
Cc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1	ZINC000226071576	570610894	/nfs/dbraw/zinc/61/08/94/570610894.db2.gz	AYHNPFDGIWBQFV-FQEVSTJZSA-N	1	0	356.530	4.309	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3ccc(N)cc3c(=O)c12	ZINC000005390414	570625832	/nfs/dbraw/zinc/62/58/32/570625832.db2.gz	DCZRJSQCMWPKDP-UHFFFAOYSA-N	1	0	355.507	4.059	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039772741	571065623	/nfs/dbraw/zinc/06/56/23/571065623.db2.gz	COCRQRBXGBXIAL-UHFFFAOYSA-N	1	0	373.840	4.099	40	5		FIBBRO
C[N+](C)(Cc1ccccc1Cl)C[C@@H](O)CNc1ccccc1Cl	ZINC000003148558	571345061	/nfs/dbraw/zinc/34/50/61/571345061.db2.gz	OONHIVVWTCZCMJ-HNNXBMFYSA-N	1	0	354.301	4.043	40	5		FIBBRO
CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000030755025	571348270	/nfs/dbraw/zinc/34/82/70/571348270.db2.gz	CRJZSCZGNRYKIP-UHFFFAOYSA-N	1	0	353.422	4.079	40	5		FIBBRO
CSc1ccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000000819094	219325458	/nfs/dbraw/zinc/32/54/58/219325458.db2.gz	DHWPUXPBPRVLEA-UHFFFAOYSA-N	1	0	354.435	4.329	40	5		FIBBRO
CC[NH+](CC)CCNc1ccc(OC)c2sc3ccccc3c(=O)c12	ZINC000005316187	570623707	/nfs/dbraw/zinc/62/37/07/570623707.db2.gz	FMJDWWAXDFAUJH-UHFFFAOYSA-N	1	0	356.491	4.177	40	5		FIBBRO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010324353	570699979	/nfs/dbraw/zinc/69/99/79/570699979.db2.gz	SSPKGFSUEJHVRZ-UHFFFAOYSA-N	1	0	359.813	4.096	40	5		FIBBRO
CC[NH+](CC)CCNc1c(OC)cc(C)c2sc3ccccc3c(=O)c12	ZINC000005390091	570625918	/nfs/dbraw/zinc/62/59/18/570625918.db2.gz	PIASGGLJPMCCPP-UHFFFAOYSA-N	1	0	370.518	4.485	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000038853868	571051566	/nfs/dbraw/zinc/05/15/66/571051566.db2.gz	QGRJIPUHLXUITJ-OAHLLOKOSA-N	1	0	373.840	4.099	40	5		FIBBRO
C[C@@H]1C[C@H](C)C[N@@+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000245229393	571137006	/nfs/dbraw/zinc/13/70/06/571137006.db2.gz	WQLBOYUQYLFYDC-SMKKKYSBSA-N	1	0	354.514	4.216	40	5		FIBBRO
CC(C)CC(CC(C)C)[NH2+]C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710531	571166445	/nfs/dbraw/zinc/16/64/45/571166445.db2.gz	HHAOCCQXJYDURV-HNNXBMFYSA-N	1	0	350.459	4.191	40	5		FIBBRO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000017074172	571274820	/nfs/dbraw/zinc/27/48/20/571274820.db2.gz	OWXLFROVWIRKIP-UHFFFAOYSA-N	1	0	359.813	4.096	40	5		FIBBRO
O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1	ZINC000036640197	220826224	/nfs/dbraw/zinc/82/62/24/220826224.db2.gz	BZEHIMUZYVYPLC-XCBYWJNASA-N	1	0	370.557	4.144	40	5		FIBBRO
Cc1c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000020455448	263380429	/nfs/dbraw/zinc/38/04/29/263380429.db2.gz	VOUJJJSHRGUEJO-HNNXBMFYSA-N	1	0	367.449	4.387	40	5		FIBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039749550	263399325	/nfs/dbraw/zinc/39/93/25/263399325.db2.gz	FBGRGHBDQDUBRH-UHFFFAOYSA-N	1	0	373.840	4.099	40	5		FIBBRO
COc1ccc2c(cc3c4cc(OC)c(OC)cc4cc[n+]3c2C)c1OC	ZINC000001734970	570506023	/nfs/dbraw/zinc/50/60/23/570506023.db2.gz	TYCCHJVNIUSFKL-UHFFFAOYSA-N	1	0	364.421	4.075	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1-c1ccccc1	ZINC000226072766	570610802	/nfs/dbraw/zinc/61/08/02/570610802.db2.gz	AKUHMZWFGSONOM-QFIPXVFZSA-N	1	0	362.493	4.370	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000226072027	570610957	/nfs/dbraw/zinc/61/09/57/570610957.db2.gz	SPYPNLYLEOLZKJ-HSZRJFAPSA-N	1	0	362.493	4.370	40	5		FIBBRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000038853961	571051449	/nfs/dbraw/zinc/05/14/49/571051449.db2.gz	QNMRKZONWZRTBF-HNNXBMFYSA-N	1	0	353.422	4.079	40	5		FIBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl	ZINC000041690080	571209632	/nfs/dbraw/zinc/20/96/32/571209632.db2.gz	WJVGHGOYDUSZCJ-INIZCTEOSA-N	1	0	355.285	4.010	40	5		FIBBRO
CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000006949562	571255285	/nfs/dbraw/zinc/25/52/85/571255285.db2.gz	NRTCPYCLLBSYTG-JLHYYAGUSA-N	1	0	353.422	4.089	40	5		FIBBRO