smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nn(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)c1[N+](=O)[O-]	12891166	MPLJSVCFYVGENB-UHFFFAOYSA-N	350.335	-0.391	5	40	FBBB	
O=C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1	12558130	JOENDFQAGAJTSY-UHFFFAOYSA-N	370.387	-0.448	5	40	FBBB	
O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCN(CCO)CC1	256048845	WPHUYONSEOEFGW-UHFFFAOYSA-N	362.346	-0.012	5	40	FBBB	
COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	31650249	PQTYSVJXOCXECA-LBPRGKRZSA-N	351.315	-0.136	5	40	FBBB	
CCCn1c(=O)n(C)c(=O)c2nc3c(cc21)c(=O)n(C)c(=O)n3CCC	6274423	NVNMVAPRTVKIDN-UHFFFAOYSA-N	359.386	-0.071	5	40	FBBB	
Cc1cc2cc3c(=O)[nH]c(=O)cc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	5372519	FBLKQHCNHSWGPU-JFIYKMOQSA-N	374.393	-0.514	5	40	FBBB	
O=[N+]([O-])c1ccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	5339558	UVCKCFVVHKUBHE-VSYPEIIYSA-N	362.316	-0.605	5	40	FBBB	
Cc1nn(CC(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)c1[N+](=O)[O-]	24776208	NEWBYJZEOZERFX-UHFFFAOYSA-N	359.408	-0.098	5	40	FBBB	
NC(=O)Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1ccc(F)cc1	12374779	SYOAXHADIQMWHK-UHFFFAOYSA-N	365.310	-0.062	5	40	FBBB	
CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCNCC2)CC1	4182315	IVPRYHSZZKSBPM-UHFFFAOYSA-N	369.447	-0.060	5	40	FBBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1	3239610	JJFBTJQXNQVJOH-AATRIKPKSA-N	372.341	-0.272	5	40	FBBB	
Cc1ccc(O[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c([N+](=O)[O-])n1	12536597	USRSVBDLOFQZHG-QMMMGPOBSA-N	363.330	-0.072	5	40	FBBB	
Cc1ccc(O[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c([N+](=O)[O-])n1	12536596	USRSVBDLOFQZHG-MRVPVSSYSA-N	363.330	-0.072	5	40	FBBB	
Nc1nc(NCCN2CCOCC2)nc(N2CCOCC2)c1[N+](=O)[O-]	20393177	LEZHWFNTNCEBCP-UHFFFAOYSA-N	353.383	-0.452	5	40	FBBB	
N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	16429273	ZQCPOPFVWGKMPR-JTQLQIEISA-N	359.364	-0.410	5	40	FBBB	
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CO)(NCC3CC3)CC2)c1	582550911	ZGGOGGJLPJNIPU-OAHLLOKOSA-N	353.423	-0.021	5	40	FBBB	
CN(C)n1c(=O)c2ccc3c(=O)n(N(C)C)c(=O)c4ccc(c1=O)c2c34	105421328	TTXJHKLZVISOPG-UHFFFAOYSA-N	352.350	-0.539	5	40	FBBB	
N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	16429270	ZQCPOPFVWGKMPR-SNVBAGLBSA-N	359.364	-0.410	5	40	FBBB	
O=c1ccn([C@@H]2O[C@H](COc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O)c(=O)[nH]1	229945439	HRXPDKFYERMNIC-YXCITZCRSA-N	365.298	-0.857	5	40	FBBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1	3244554	KLNZFJRFPYDJON-UHFFFAOYSA-N	352.332	-0.610	5	40	FBBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCS(=O)(=O)C1	13163962	RVJRDZWRAHKUMH-QMMMGPOBSA-N	367.339	-0.506	5	40	FBBB	
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	31650252	PQTYSVJXOCXECA-GFCCVEGCSA-N	351.315	-0.136	5	40	FBBB	
Cn1c(N)c(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O	9442588	HWQJGCRURFWQGW-UHFFFAOYSA-N	358.314	-0.193	5	40	FBBB	
CC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21	149168378	MLGAESBBTVWVND-VNHYZAJKSA-N	374.397	-0.306	5	40	FBBB	
CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1	22027494	RJFOSXYKBWKAHL-UHFFFAOYSA-N	358.420	-0.041	5	40	FBBB	
COC[C@@H](O)CN(C)c1nc(C)c([N+](=O)[O-])c(N(C)C[C@H](O)COC)n1	95446229	WAVIUPNAGLASHS-RYUDHWBXSA-N	373.410	-0.420	5	40	FBBB	
O=c1ccn([C@@H]2O[C@@H](COc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4427523	HRXPDKFYERMNIC-AHLTXXRQSA-N	365.298	-0.857	5	40	FBBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCS(=O)(=O)C1	13163961	RVJRDZWRAHKUMH-MRVPVSSYSA-N	367.339	-0.506	5	40	FBBB	
Nc1ccc(NC(=O)C[C@@H](NCCOCCO)C(=O)O)cc1[N+](=O)[O-]	65090359	WXTQKDBNSXBKAG-LLVKDONJSA-N	356.335	-0.443	5	40	FBBB	
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	2739634	ZMFSXXOYPIRZKZ-UFBFGSQYSA-N	367.343	-0.300	5	40	FBBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@H]1CCS(=O)(=O)C1	10021151	BBJNVOQGSSQGBP-QMMMGPOBSA-N	367.339	-0.506	5	40	FBBB	
O=C(C[C@@H](NCCN1CCNCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1	35355703	QKBQJPDUYGUHGQ-CQSZACIVSA-N	365.390	-0.129	5	40	FBBB	
CCN(CC)C(=O)Cn1nc([N+](=O)[O-])n(CC(=O)N(CC)CC)c1=O	12411524	BZWQZNBYSMWJBQ-UHFFFAOYSA-N	356.383	-0.310	5	40	FBBB	
O=C(CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	20508251	XMSCKEDOJNHUSK-UHFFFAOYSA-N	372.403	-0.679	5	40	FBBB	
NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	21142519	SIFJQGDHAIHANL-UHFFFAOYSA-N	358.694	-0.284	5	40	FBBB	
COC(=O)C(=O)[C@@H](C(=O)OC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C	101096713	NEWZCRLXURYSLJ-JTQLQIEISA-N	366.282	-0.058	5	40	FBBB	
Cn1c(N)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(=O)n(C)c1=O	3496650	CAQZKADIUDEMMK-UHFFFAOYSA-N	368.327	-0.324	5	40	FBBB	
CC(=O)OCn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])nn1COC(C)=O	95116222	PXDPCIBLSRFTHY-UHFFFAOYSA-N	370.238	-0.606	5	40	FBBB	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12	101013232	MYUAPUCZCULGHQ-WDEREUQCSA-N	362.298	-0.016	5	40	FBBB	
O=c1ccn([C@@H]2O[C@H](COc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4427521	HRXPDKFYERMNIC-RUZUBIRVSA-N	365.298	-0.857	5	40	FBBB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O	4822397	BHNPVQZTQVFSCW-CLPYTZEMSA-N	359.291	-0.631	5	40	FBBB	
O=[N+]([O-])c1ncn(Cn2ccc(-c3nc4c5cn[nH]c5ncn4n3)n2)n1	17072992	GWTVQYDJHHDZMJ-UHFFFAOYSA-N	352.278	-0.130	5	40	FBBB	
COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCO)c1=N	100809668	SJJZRZOPQVSPKJ-UHFFFAOYSA-N	357.370	-0.503	5	40	FBBB	
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	2739635	ZMFSXXOYPIRZKZ-QPUJVOFHSA-N	367.343	-0.300	5	40	FBBB	
Cc1nn(CC(=O)O)c(=O)c2cc3c(C)nn(CC(=O)O)c(=O)c3cc12	863716	ZQYBPNRCEYDVOR-UHFFFAOYSA-N	358.310	-0.108	5	40	FBBB	
O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCN(CCO)CC1	256049194	YUAFJGXAUQKBAB-UHFFFAOYSA-N	362.346	-0.012	5	40	FBBB	
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	5579312	CTLJHLYIILERNX-UHFFFAOYSA-N	365.374	-0.106	5	40	FBBB	
COc1cc([C@@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1O	3289710	RHCOXNFZNVLUAW-SECBINFHSA-N	350.331	-0.211	5	40	FBBB	
CN1CCN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	20394278	WMMYULWNIJAKNU-UHFFFAOYSA-N	366.426	-0.537	5	40	FBBB	
COC(=O)C(=O)[C@H](C(=O)OC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C	101096716	NEWZCRLXURYSLJ-SNVBAGLBSA-N	366.282	-0.058	5	40	FBBB	
CC(C)Cn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(=O)[nH]c1=O	12914973	FUTXXLNPJPXCPD-UHFFFAOYSA-N	363.330	-0.272	5	40	FBBB	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCO)c1=N	100817581	PDOSHHLDEQEVDZ-UHFFFAOYSA-N	371.397	-0.113	5	40	FBBB	
NC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc([N+](=O)[O-])cc2F)CCO1	72307550	JCOJTDLUCSAYKT-VIFPVBQESA-N	351.287	-0.252	5	40	FBBB	
Nc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	9612806	PIAXJFQBSMIWLR-SECBINFHSA-N	357.344	-0.363	5	40	FBBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	9514681	QMIBKEDVIGJQES-UHFFFAOYSA-N	364.314	-0.155	5	40	FBBB	
COC[C@@H](O)CN(C)c1nc(N(C)C[C@@H](O)COC)nc(C)c1[N+](=O)[O-]	95446230	WAVIUPNAGLASHS-NWDGAFQWSA-N	373.410	-0.420	5	40	FBBB	
O=c1ccn([C@@H]2O[C@@H](COc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@@H]2O)c(=O)[nH]1	4427520	HRXPDKFYERMNIC-DOERSZECSA-N	365.298	-0.857	5	40	FBBB	
Cc1cc2cc3c(=O)[nH]c(=O)cc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	1562485	FBLKQHCNHSWGPU-NUJGCVRESA-N	374.393	-0.514	5	40	FBBB	
O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCN(CCO)CC1	256048888	WWQWKFZLEMTXSH-UHFFFAOYSA-N	362.346	-0.012	5	40	FBBB	
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O	4822400	BHNPVQZTQVFSCW-ZOLYEBIHSA-N	359.291	-0.631	5	40	FBBB	
COC(=O)CNC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	3246765	DOSRUVXXHUTYQG-UHFFFAOYSA-N	354.271	-0.173	5	40	FBBB	
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1O	4822402	BHNPVQZTQVFSCW-CKIKVBCHSA-N	359.291	-0.631	5	40	FBBB	
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	2739636	ZMFSXXOYPIRZKZ-PELKAZGASA-N	367.343	-0.300	5	40	FBBB	
O=C1O[C@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	5847870	QMKFYBFLRUQGKY-GJKBLCTNSA-N	359.718	-0.564	5	40	FBBB	
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N[C@@H]1CCS(=O)(=O)C1	3441628	YNTXUTPQCVHPRS-SECBINFHSA-N	366.355	-0.392	5	40	FBBB	
CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	58004640	ALOKVBDQAYRTHO-UHFFFAOYSA-N	363.323	-0.227	5	40	FBBB	
NS(=O)(=O)c1ccc(NCC(=O)N2CCC(O)CC2)c([N+](=O)[O-])c1	48326117	QFNDIRSJPSLYNC-UHFFFAOYSA-N	358.376	-0.363	5	40	FBBB	
Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O	9722271	MFCUMZZPOLMDGL-UHFFFAOYSA-N	362.298	-0.088	5	40	FBBB	
NC/C=C/CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	591347883	LWYQDEGWSHDUET-OWOJBTEDSA-N	357.392	-0.313	5	40	FBBB	
CCCc1[nH]nc(C(=O)N2CCC(NS(N)(=O)=O)CC2)c1[N+](=O)[O-]	600555408	KJJYZXIWURKPJG-UHFFFAOYSA-N	360.396	-0.332	5	40	FBBB	
Cn1cnc2c1c(=O)n(CCCn1cc([N+](=O)[O-])ccc1=O)c(=O)n2C	31672064	YNLHQOMBRVDTMP-UHFFFAOYSA-N	360.330	-0.406	5	40	FBBB	
COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCO)c1=N	100813306	UFPOZXKFJPMTNH-UHFFFAOYSA-N	371.397	-0.194	5	40	FBBB	
Nc1ccc(NC(=O)C[C@H](NCCOCCO)C(=O)O)cc1[N+](=O)[O-]	65090357	WXTQKDBNSXBKAG-NSHDSACASA-N	356.335	-0.443	5	40	FBBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@H]1CCS(=O)(=O)C1	10021149	BBJNVOQGSSQGBP-MRVPVSSYSA-N	367.339	-0.506	5	40	FBBB	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12	101013239	MYUAPUCZCULGHQ-MNOVXSKESA-N	362.298	-0.016	5	40	FBBB	
Cc1cc2cc3c(=O)[nH]c(=O)cc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	5372514	FBLKQHCNHSWGPU-JZXOWHBKSA-N	374.393	-0.514	5	40	FBBB	
CNC(=O)c1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cn1C	31851272	MJQSHGDKGAROTB-UHFFFAOYSA-N	361.314	-0.564	5	40	FBBB	
CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)CC1	5030823	WEHGXXUDMPWQHR-UHFFFAOYSA-N	350.427	-0.139	5	40	FBBB	
COc1cc([C@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1O	3289709	RHCOXNFZNVLUAW-VIFPVBQESA-N	350.331	-0.211	5	40	FBBB	
Nc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-]	9558274	UAVBPNAUYOZWCI-JTQLQIEISA-N	359.316	-0.686	5	40	FBBB	
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	20508254	LGMURLNOTJTRJY-UHFFFAOYSA-N	358.376	-0.085	5	40	FBBB	
O=c1ccn([C@@H]2O[C@H](COc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O)c(=O)[nH]1	3201316	HRXPDKFYERMNIC-FMKGYKFTSA-N	365.298	-0.857	5	40	FBBB	
O=C1O[C@H]2[C@@H](O)CO[C@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	5847864	QMKFYBFLRUQGKY-GRLWGSQLSA-N	359.718	-0.564	5	40	FBBB	
Cn1c(=O)c2c3oc(=O)cc(O)c3c(=O)n3c2n(c1=O)-c1ccccc1-3	6494325	XJOJGJMOBLYBGG-UHFFFAOYSA-N	351.274	-0.034	5	40	FBBB	
NC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc([N+](=O)[O-])cc2F)CCO1	72307551	JCOJTDLUCSAYKT-SECBINFHSA-N	351.287	-0.252	5	40	FBBB	
O=C(C[C@H](NCCN1CCNCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1	35355699	QKBQJPDUYGUHGQ-AWEZNQCLSA-N	365.390	-0.129	5	40	FBBB	
Cn1nc(C(=O)N2CCOCC2)c([N+](=O)[O-])c1C(=O)N1CCOCC1	1514299	FULHITZNGNHPOU-UHFFFAOYSA-N	353.335	-0.727	5	40	FBBB	
Cc1ccc(NC(=O)COC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c([N+](=O)[O-])c1	9612497	AVFRKMMAKKVSNL-UHFFFAOYSA-N	363.286	-0.342	5	40	FBBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-]	11671970	IBZRFKFFRNGYJY-UHFFFAOYSA-N	371.327	-0.293	5	40	FBBB	
O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	5339557	UVCKCFVVHKUBHE-ZOUWBMGKSA-N	362.316	-0.605	5	40	FBBB	
CCN1CCN(c2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])CC1	5025762	WCYOMIGBQJFLOG-UHFFFAOYSA-N	350.427	-0.139	5	40	FBBB	
Cn1c(N)c(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	3234698	NYFPOMSTJLYGJF-UHFFFAOYSA-N	362.298	-0.386	5	40	FBBB	
COCCNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	21903737	RAUUNIOJHJDNSS-UHFFFAOYSA-N	366.374	-0.076	5	40	FBBB	
O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)CCN2CCOCC2)c1	72314200	OWNQHYYFJVRFEI-INIZCTEOSA-N	369.418	-0.039	5	40	FBBB	
COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	24477391	RVEWMSZWVFKLRM-UHFFFAOYSA-N	361.332	-0.829	5	40	FBBB	
N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1	727948	PWKRKJCLRISWOK-UHFFFAOYSA-N	368.397	-0.440	5	40	FBBB	
COC(=O)c1nn(-c2nc([N+](=O)[O-])nn2C)c(C(=O)OC)c1[N+](=O)[O-]	39248527	CFXZDAYDKLDPFV-UHFFFAOYSA-N	355.223	-0.610	5	40	FBBB	
Cc1cc2cc3c(=O)[nH]c(=O)cc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	5372517	FBLKQHCNHSWGPU-LZLYRXPVSA-N	374.393	-0.514	5	40	FBBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CO)(NCC3CC3)CC2)c1	582550907	ZGGOGGJLPJNIPU-HNNXBMFYSA-N	353.423	-0.021	5	40	FBBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O	9612500	MBSDEPRBGCAKCM-UHFFFAOYSA-N	364.270	-0.225	5	40	FBBB	
O=[N+]([O-])c1ccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	5339555	UVCKCFVVHKUBHE-FRNCOOQWSA-N	362.316	-0.605	5	40	FBBB	
O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1c[nH]c(=O)[nH]c1=O	13957547	JRZGYLUPHBQCFM-UHFFFAOYSA-N	373.281	-0.404	5	40	FBBB	
Cn1c(N)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(=O)n(C)c1=O	3232886	GAMIDRHJWDAQLK-UHFFFAOYSA-N	352.259	-0.793	5	40	FBBB	
CC(CCNC(=O)NCCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	33355035	KGVZGUMDTZCSAR-UHFFFAOYSA-N	352.260	-0.395	5	40	FBBB	
O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	5339559	UVCKCFVVHKUBHE-AJTCFPGGSA-N	362.316	-0.605	5	40	FBBB	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	600242398	WDBLWVSVGVRDSN-NEPJUHHUSA-N	350.331	-0.838	5	40	FBBB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1O	4822401	BHNPVQZTQVFSCW-QWQWKMKNSA-N	359.291	-0.631	5	40	FBBB	
O=c1[nH]/c(=C/c2ccc([N+](=O)[O-])o2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])o1	16430397	VXRKEAQZQIFGCN-NXZHAISVSA-N	360.238	-0.277	5	40	FBBB	
Cn1c(=O)c2nc3ccc(NC(=O)/C=C/C(=O)O)cc3nc2n(C)c1=O	723627	JVCQIJODMUKXHI-AATRIKPKSA-N	355.310	-0.240	5	40	FBBB	biogenic
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1	9496823	UFNHHYRRWPXILX-SECBINFHSA-N	357.344	-0.014	5	40	FBBB	
O=c1ccn([C@@H]2O[C@H](COc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@@H]2O)c(=O)[nH]1	4427519	HRXPDKFYERMNIC-VZZFWQQMSA-N	365.298	-0.857	5	40	FBBB	
O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)CCN2CCOCC2)c1	72314199	OWNQHYYFJVRFEI-MRXNPFEDSA-N	369.418	-0.039	5	40	FBBB	
O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)Nc1nncs1	512676500	BMFLIOPFZZONLA-UHFFFAOYSA-N	366.363	-0.434	5	40	FBBB	
O=C1O[C@H]2[C@@H](O)CO[C@]2(O)[C@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	5847861	QMKFYBFLRUQGKY-BDWDCIJZSA-N	359.718	-0.564	5	40	FBBB	
COC(=O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	12545300	VNMYQIZCNLWIGA-UHFFFAOYSA-N	360.348	-0.667	5	40	FBBB	
CC(=O)NCCNc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-]	9338764	CESSUSCPWMEJJB-UHFFFAOYSA-N	374.375	-0.104	5	40	FBBB	
CN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	16993809	GVWUKQWJJQFUGC-LBPRGKRZSA-N	359.342	-0.376	5	40	FBBB	
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	4533776	PNLFGUZFZPZVIB-GUBZILKMSA-N	351.363	-0.110	5	40	FBBB	
O=C(CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1)Nc1nncs1	548941592	ABENVZRUZMRKBX-UHFFFAOYSA-N	366.363	-0.434	5	40	FBBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1	13114456	UFNHHYRRWPXILX-VIFPVBQESA-N	357.344	-0.014	5	40	FBBB	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12	101013234	MYUAPUCZCULGHQ-QWRGUYRKSA-N	362.298	-0.016	5	40	FBBB	
Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-]	9558273	UAVBPNAUYOZWCI-SNVBAGLBSA-N	359.316	-0.686	5	40	FBBB	
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	2739637	ZMFSXXOYPIRZKZ-PRHODGIISA-N	367.343	-0.300	5	40	FBBB	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12	9462521	MYUAPUCZCULGHQ-GHMZBOCLSA-N	362.298	-0.016	5	40	FBBB	
CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc([N+](=O)[O-])c1	10283883	PYVUSBZMINICKP-UHFFFAOYSA-N	370.387	-0.339	5	40	FBBB	
O=C1O[C@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	5847874	QMKFYBFLRUQGKY-JZKMBYMZSA-N	359.718	-0.564	5	40	FBBB	
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N[C@H]1CCS(=O)(=O)C1	9127392	YNTXUTPQCVHPRS-VIFPVBQESA-N	366.355	-0.392	5	40	FBBB	
Nc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	9612807	PIAXJFQBSMIWLR-VIFPVBQESA-N	357.344	-0.363	5	40	FBBB