smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@@H]1CO1	33637832	GJWGWFGHNDBFIY-RUZDIDTESA-O	425.722	6.085	5	30	IKBC	
Cc1ccc(Nc2cc(C)c3nc4c(Cl)c(Cl)c(=O)c(Cl)c-4sc3c2)cc1	33608581	MQWKHVCAEZHWAW-UHFFFAOYSA-N	435.763	7.082	5	30	IKBC	
OC(c1ccccc1)(c1ccccc1)[N@+]12CC[C@](CCOCc3ccccc3)(CC1)CC2	2265378645	LRGFVCAKLBNTFF-KRKINAOUSA-N	428.596	5.488	5	30	IKBC	
O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1047389	PBAWGRWRYSXKIZ-UHFFFAOYSA-N	445.859	5.306	5	30	IKBC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)c1	39292962	FVJQBZVCJVMBIP-UHFFFAOYSA-N	429.660	5.938	5	30	IKBC	
O=c1c2cc(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c(c32)c2nc3ccccc3n12	38642918	UUGQSBNOQIHGAU-UHFFFAOYSA-N	442.516	6.859	5	30	IKBC	
O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1cccc(C(F)(F)F)c1	8648501	ZNDPSXHHLIBKBY-UHFFFAOYSA-N	443.307	5.910	5	30	IKBC	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	1027120	PZRRZILLHODLFP-UHFFFAOYSA-N	444.291	5.070	5	30	IKBC	
CN(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8616863	XLYLRFKZDULVOC-UHFFFAOYSA-N	439.246	5.258	5	30	IKBC	
O=C(Oc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(Cl)c1	2162749	RCCLNEIROQEHGX-UHFFFAOYSA-N	442.546	5.388	5	30	IKBC	
Cc1cc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl	3118291	CWGMTKYIWZZWGH-UHFFFAOYSA-N	427.187	6.288	5	30	IKBC	
CCCc1ccc(-c2ccc(C(=O)Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1	2162793	OFFWTRKXPTZBDA-UHFFFAOYSA-N	429.394	6.452	5	30	IKBC	
O=c1c2ccccc2c2cc3c(nc4cccc5c(=O)c6ccccc6c3c45)c3cccc1c23	33986520	QGCBXDYRQDABNB-UHFFFAOYSA-N	433.466	6.750	5	30	IKBC	
O=C(c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)cc(Br)c2o1	1043369	SHVGCSHMHFQDPW-UHFFFAOYSA-N	425.032	5.097	5	30	IKBC	
O=C(/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1)Nc1ccccc1	8626809	AYCYZKOXSNRICR-UXBLZVDNSA-N	445.422	5.812	5	30	IKBC	
O=C(Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1	12369060	ODBPHRBSBGMLRG-UHFFFAOYSA-N	428.491	5.067	5	30	IKBC	
O=[N+]([O-])c1cccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c1	2151827	MZSUEQHADKTLAV-UHFFFAOYSA-N	443.406	6.591	5	30	IKBC	
CN(C)CC1(C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)CCCCC1	4368306	JHQNFNFECYOANA-JOCHJYFZSA-N	428.504	5.534	5	30	IKBC	
C[N+](C)(CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1	38648093	PEOZZIYWLBMIAK-UHFFFAOYSA-N	438.744	7.441	5	30	IKBC	
COc1cc(C2SCCS2)cc(Br)c1Oc1ncccc1[N+](=O)[O-]	1042662	RWTNACSRTCRHBA-UHFFFAOYSA-N	429.317	5.032	5	30	IKBC	
O=[N+]([O-])c1cc(CS(=O)(=O)c2ccccc2)ccc1Oc1ccc(Cl)cc1Cl	1047442	ZMVUHPADBSBMJS-UHFFFAOYSA-N	438.288	5.668	5	30	IKBC	
CCc1cc2c(cc1C(=O)Cn1nnc(-c3cccc([N+](=O)[O-])c3)n1)C(C)(C)CCC2(C)C	3126814	AAKDRYAYBWJIFL-UHFFFAOYSA-N	447.539	5.043	5	30	IKBC	
O=[N+]([O-])c1ccc(C=Cc2nc3c(Oc4ccccc4)cccc3c3c2CCS3)cc1	2265279334	AHEVXDVPJSQAQW-UHFFFAOYSA-N	426.497	6.754	5	30	IKBC	
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@H]1CO1	33637834	GJWGWFGHNDBFIY-VWLOTQADSA-O	425.722	6.085	5	30	IKBC	
Cc1cc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c(C)c1Cl	2161176	ULHQTLOQTSGKMH-UHFFFAOYSA-N	425.146	6.238	5	30	IKBC	
Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	1042690	GKMAPIXWFPONPR-UHFFFAOYSA-N	441.654	5.875	5	30	IKBC	
Brc1ccc2ccc3c(Br)ccc4c(Br)cc1c2c34	111887077	RHRFBPAWKHCKFW-UHFFFAOYSA-N	438.944	6.872	5	30	IKBC	
CC(C)(C)c1ccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])n2Cc2ccco2)cc1	1047279	BYNBPFPKBZAYSH-UHFFFAOYSA-N	435.509	5.338	5	30	IKBC	
O=C(Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	12340248	PMWHMUSBAXBBMT-UHFFFAOYSA-N	429.841	5.560	5	30	IKBC	
O=C(Nc1ccccc1)Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F	1324150	IGSJARPUDZHWAV-UHFFFAOYSA-N	434.399	5.804	5	30	IKBC	
O=[N+]([O-])c1cccnc1Oc1ccc(Oc2ncccc2[N+](=O)[O-])c(-c2ccccc2)c1	8626794	ZBXHHXCLRPXCKX-UHFFFAOYSA-N	430.376	5.545	5	30	IKBC	
Nc1ccccc1Sc1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccccc1N	8629807	ZWRRZUBWSPVJLI-UHFFFAOYSA-N	437.468	6.080	5	30	IKBC	
O=[N+]([O-])c1ccc(-n2ncc(-c3nc(-c4ccc(Cl)cc4)no3)c2C(F)(F)F)cc1	1027134	VXEVGXCWAJVOGY-UHFFFAOYSA-N	435.749	5.170	5	30	IKBC	
Cc1ccc(C(=O)N(c2ccccc2)n2c(-c3cccc([N+](=O)[O-])c3)csc2=S)cc1	8626787	FSRITQYVIQSVCE-UHFFFAOYSA-N	447.541	6.273	5	30	IKBC	
Cc1ccc2c(c1)nc1c3cccc4c(Sc5ccc(Cl)cc5)ccc(c(=O)n21)c43	38652419	SDEFOKDRSRTRMA-UHFFFAOYSA-N	426.928	6.705	5	30	IKBC	
C1=Cc2ccc3c4c5c(ccc6ccc7c8ccccc8cc-4c7c65)c4c3c2-c2c(cccc2-4)C1	299803439	QDEWKRNVAGNNLX-UHFFFAOYSA-N	438.529	9.650	5	30	IKBC	
O=C(O)c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	575431726	VVWQQWOMOODOKT-UHFFFAOYSA-N	441.508	6.377	5	30	IKBC	
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	1040486	LFHDDIMVBLKWHG-UHFFFAOYSA-N	440.868	5.064	5	30	IKBC	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1	3119827	BEPHODDETAPPJF-UHFFFAOYSA-N	435.214	5.857	5	30	IKBC	
CCOC(=O)c1c(NC(=O)Nc2ccc(C(C)(C)C)cc2)c2cc([N+](=O)[O-])ccc2n1C	8628260	XPBFENVCPSCBHM-UHFFFAOYSA-N	438.484	5.205	5	30	IKBC	
O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1NS(=O)(=O)c1ccc(F)cc1	8617999	BEJMSPATIMCRPY-UHFFFAOYSA-N	438.889	5.339	5	30	IKBC	
O=C(Oc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)cccc1Cl	2162746	QADBLVWLULABLS-UHFFFAOYSA-N	442.546	5.388	5	30	IKBC	
O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccc2c(=O)c4ccccc4c4nn3c1c24	100488206	KQXAEVNNCQHYTP-UHFFFAOYSA-N	446.465	6.441	5	30	IKBC	
CC(C)Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1	2154611	LQIUNNAXCPNEBY-VWLOTQADSA-N	434.561	6.482	5	30	IKBC	
O=C(C1=NNC[C@H]1c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1	12368303	FRRMOFKXNHESCX-NRFANRHFSA-N	429.317	5.681	5	30	IKBC	
O=[N+]([O-])c1ccccc1C=Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCS2	2265278800	MKMAOTFSBXCQRS-UHFFFAOYSA-N	426.497	6.754	5	30	IKBC	
COc1cc(C2SCCS2)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	1042661	OGPXBVPIINXFBI-UHFFFAOYSA-N	429.317	5.032	5	30	IKBC	
O=[N+]([O-])c1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1	12369438	VWUCELDSNDVKMY-UHFFFAOYSA-N	443.406	6.591	5	30	IKBC	
COc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	1040647	MSGGMLPSCULNEU-UHFFFAOYSA-N	432.354	5.667	5	30	IKBC	
CC(C)(C)c1cc(OC(=O)O[C@H](C(=O)O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)cc1O	2510626	KCTUARXSADIAEF-IBGZPJMESA-N	445.468	5.237	5	30	IKBC	
CC(C)Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1	2154614	LQIUNNAXCPNEBY-RUZDIDTESA-N	434.561	6.482	5	30	IKBC	
O=[N+]([O-])c1ccc(N2CCSCC2)cc1Oc1nc2c(Cl)cc(Cl)cc2s1	8626696	RDFLIDQAURFYQW-UHFFFAOYSA-N	442.349	5.857	5	30	IKBC	
Cc1ccc2c(c1)nc1c3ccc(Sc4ccc(Cl)cc4)c4cccc(c(=O)n21)c43	33650267	UQJPNWRXYFYENA-UHFFFAOYSA-N	426.928	6.705	5	30	IKBC	
Cc1nc(-c2ccccc2)nc2c(Nc3ccccc3N)cc3nc4ccccc4nc3c12	196549328	WFMUAZXZXFYHKN-UHFFFAOYSA-N	428.499	6.027	5	30	IKBC	
O=c1oc2ccccc2c2c1C(c1ccc([N+](=O)[O-])cc1)c1c(c3ccccc3oc1=O)O2	8648681	DQLZBTZWNOPDIW-UHFFFAOYSA-N	439.379	5.094	5	30	IKBC	
O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1	2141694	FQJHMPIEIDASPR-UHFFFAOYSA-N	440.260	5.462	5	30	IKBC	
O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)c(-c2nnc(-c3cccc(Cl)c3)o2)c1	12339327	BWEGQIVBNUBXCJ-UHFFFAOYSA-N	429.219	5.806	5	30	IKBC	
O=C(C1=NNC[C@@H]1c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1	12368304	FRRMOFKXNHESCX-OAQYLSRUSA-N	429.317	5.681	5	30	IKBC	
COc1ccccc1C1CCN(c2ccc(C3OCC(C)(C)CO3)cc2[N+](=O)[O-])CC1	4336186	KKENCAWKDZVSFJ-UHFFFAOYSA-N	426.513	5.059	5	30	IKBC	
CCCCSc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(SCCCC)cc1[N+](=O)[O-])C2=O	8626837	RRGSUANNYKUABH-UHFFFAOYSA-N	446.550	6.499	5	30	IKBC	
CC(C)(C)c1cc(OC(=O)O[C@@H](C(=O)O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)cc1O	14982195	KCTUARXSADIAEF-LJQANCHMSA-N	445.468	5.237	5	30	IKBC	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(C2SCCS2)cc1	3119867	HOYVBNCWHULDKX-UHFFFAOYSA-N	432.401	5.793	5	30	IKBC	
Cc1ccc2nc3c4ccc(Sc5ccc(Cl)cc5)c5cccc(c(=O)n3c2c1)c54	38652427	OYMNNEJVISLWKF-UHFFFAOYSA-N	426.928	6.705	5	30	IKBC	
Brc1ccc2ccc3c(Br)cc(Br)c4ccc1c2c34	111872908	XVBALZHPIPCRKD-UHFFFAOYSA-N	438.944	6.872	5	30	IKBC	
COc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2[N+](=O)[O-])cc1OC	1025158	SQWQFBKSPKPLBL-UHFFFAOYSA-N	444.896	5.669	5	30	IKBC	
CC1CCN(c2ccc([N+](=O)[O-])c(Oc3nc4c(Cl)cc(Cl)cc4s3)c2)CC1	8626697	YTCJQMDYQMPNEC-UHFFFAOYSA-N	438.336	6.540	5	30	IKBC	
Cc1c(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c(C)c(OCc2ccccc2)c1OCc1ccccc1	22001071	IEIFMIIOHDSQGR-BUHFOSPRSA-N	434.448	5.617	5	30	IKBC	
O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc([N+](=O)[O-])cn3)c(-c3ccccc3)c2)nc1	8629428	PSCSELLQGYRPFW-UHFFFAOYSA-N	430.376	5.545	5	30	IKBC	
Cc1c(Cl)cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c1Cl	31458299	JKPIDASMRMDKJH-UHFFFAOYSA-N	445.568	5.929	5	30	IKBC	
Cc1c(NC(=O)c2sc3ccccc3c2Cl)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	12339026	XYTUCTNBFBTIRL-UHFFFAOYSA-N	442.968	6.983	5	30	IKBC	
O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)c(-c2nnc(-c3ccc(Cl)cc3)o2)c1	1024925	MCTHJERUDHNZAX-UHFFFAOYSA-N	429.219	5.806	5	30	IKBC	
CC(C)(C)c1cc([N+](=O)[O-])c(OC(=O)c2cccnc2Oc2ccccc2)c(C(C)(C)C)c1	2161366	BCMYGCAMWXIGAI-UHFFFAOYSA-N	448.519	6.596	5	30	IKBC	
O=C(C1=NNC[C@@H]1c1c2ccccc2cc2ccccc12)c1cccc(Br)c1	12368302	WFGKQWUQSKGHKA-OAQYLSRUSA-N	429.317	5.681	5	30	IKBC	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1	1037020	DMGZTPCYUVHLFT-UHFFFAOYSA-N	429.245	5.343	5	30	IKBC	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2noc(-c3ccccc3F)n2)cc1	2162715	XEHXHYUKCWUHPG-UHFFFAOYSA-N	445.328	6.262	5	30	IKBC	
O=[N+]([O-])c1cc(/C=C/c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cs1	12340324	SNANMUTWCYQQKH-OWOJBTEDSA-N	435.305	5.914	5	30	IKBC	
CN(C)CC1(C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)CCCCC1	4368303	JHQNFNFECYOANA-QFIPXVFZSA-N	428.504	5.534	5	30	IKBC	
CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OC)c-2cc1C	111386952	FRWVYEYQVJKWSZ-BYNJWEBRSA-N	428.532	5.960	5	30	IKBC	
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OC)c-2cc1C	888087698	FRWVYEYQVJKWSZ-UHFFFAOYSA-N	428.532	5.960	5	30	IKBC	
C[C@@H](NS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccccc1	1036311	VNVLFMIJKPZOSZ-CQSZACIVSA-N	432.885	5.080	5	30	IKBC	
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	8628955	BJJJIDVJWGQWGX-UHFFFAOYSA-N	442.825	5.011	5	30	IKBC	
O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	2145343	XHTIUVMYLNGIIC-ZEQRLZLVSA-N	428.400	5.189	5	30	IKBC	
CC(C)(C)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1	8626808	NVOOXDLLNIFKAD-XBXARRHUSA-N	425.432	5.088	5	30	IKBC	
O=[N+]([O-])c1cccnc1Oc1ccc(-c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1	8626648	JOZDNBPTQULRPC-UHFFFAOYSA-N	430.376	5.545	5	30	IKBC	
CCCCCc1ccc(-c2n[nH]c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1	2149219	LUGKQPMMJDROKU-UHFFFAOYSA-N	436.459	6.283	5	30	IKBC	
O=C(Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1	2162743	SWRPAPLGOKXONF-UHFFFAOYSA-N	425.102	5.048	5	30	IKBC	
C[C@H](NS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccccc1	1036310	VNVLFMIJKPZOSZ-AWEZNQCLSA-N	432.885	5.080	5	30	IKBC	
Cc1ccc2nc3c4cccc5c(Sc6ccc(Cl)cc6)ccc(c(=O)n3c2c1)c54	38652423	JRSMCCXXCFDADM-UHFFFAOYSA-N	426.928	6.705	5	30	IKBC	
O=C(C1=NNC[C@H]1c1c2ccccc2cc2ccccc12)c1cccc(Br)c1	12368301	WFGKQWUQSKGHKA-NRFANRHFSA-N	429.317	5.681	5	30	IKBC	
O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1cc(-c2ccccc2)cc2ccc([N+](=O)[O-])cc12	31392527	IGPNRRLOXTVJSE-UHFFFAOYSA-N	428.400	5.471	5	30	IKBC	
O=[N+]([O-])c1ccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1	8629712	UCYGHPJVGVLNHH-UHFFFAOYSA-N	433.333	6.500	5	30	IKBC	
Cc1cc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c2c(Cl)ccc(C)c2n1	2148836	JSJYLGHMJZPMMF-UHFFFAOYSA-N	441.749	6.133	5	30	IKBC	
O=C(Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	2162744	IOTWAIXTMVJJIU-UHFFFAOYSA-N	425.102	5.048	5	30	IKBC	
O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	2141994	QFWKRXNOMXYIRB-UHFFFAOYSA-N	432.259	5.742	5	30	IKBC	
O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	2145346	XHTIUVMYLNGIIC-DNQXCXABSA-N	428.400	5.189	5	30	IKBC	
CCCCCc1ccc(C(=O)Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1	2162772	BLEFUYOCYHUBOU-UHFFFAOYSA-N	426.347	5.474	5	30	IKBC	
O=C(c1ccccc1)N(c1ccccc1)n1c(-c2cccc([N+](=O)[O-])c2)csc1=S	1031425	KILZPYJXUXDOEV-UHFFFAOYSA-N	433.514	5.964	5	30	IKBC	
COc1ccc(N=c2oc3ccc4ccccc4c3cc2C(=O)Nc2nccs2)cc1	254411394	MNAOMMXGMYLXFG-UHFFFAOYSA-N	427.485	5.536	5	30	IKBC