description,smiles,ringcount,c_count,n_count,o_count,s_count,name
"12,13-diazatricyclo[BLAH.BLAH.BLAH.BLAH]trideca-1(3),2(7),8-trien-11-one",O=C1Nc2cccc3c2C1CCNC3,3,11,2,1,0,12_13-diazatricyclo-blah.blah.blah.blah-trideca-1-3-_2-7-_8-trien-11-one
"3a,4,5,8,9,9a-hexahydrocycloocta[d]isoxazole",C1=CCCC2ON=CC2CC1,2,9,1,1,0,3a_4_5_8_9_9a-hexahydrocycloocta-d-isoxazole
isochroman-1-one,O=C1OCCc2ccccc21,2,9,0,2,0,isochroman-1-one
"2,6-dihydrotriazolo[4,5-f]quinolin-7-one",O=c1ccc2c(ccc3n[nH]nc32)[nH]1,3,9,4,1,0,2_6-dihydrotriazolo-4_5-f-quinolin-7-one
"8,8-dioxo-3-oxa-8$l^{6}-thia-1-azaspiro[4.5]decan-2-one",O=C1NC2(CCS(=O)(=O)CC2)CO1,2,7,1,4,1,8_8-dioxo-3-oxa-8$l^{6}-thia-1-azaspiro-4.5-decan-2-one
"piperazine-2,5-dione",O=C1CNC(=O)CN1,1,4,2,2,0,piperazine-2_5-dione
2-azaspiro[3.3]heptane,C1CC2(C1)CNC2,2,6,1,0,0,2-azaspiro-3.3-heptane
"6,7-dihydrofuro[BLAH]pyrazolo[BLAH]pyrimidine",c1cc2nc3c(cn2n1)CCO3,3,8,3,1,0,6_7-dihydrofuro-blah-pyrazolo-blah-pyrimidine
"7H-pyrrolo[2,3-d]pyrimidine",c1ncc2cc[nH]c2n1,2,6,3,0,0,7h-pyrrolo-2_3-d-pyrimidine
"spiro[2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6,5'-tetrahydrofuran]-2',5-dione",O=C1CCC2(O1)C(=O)OC1CCOC12,3,9,0,5,0,spiro-2_3_3a_6a-tetrahydrofuro-3_2-b-furan-6_5--tetrahydrofuran--2-_5-dione
LKRNZLYYWVHIFZ-UHFFFAOYSA-O,C1=NN=C2CNC=c3ccccc3=[N+]12,3,10,4,0,0,LKRNZLYYWVHIFZ-UHFFFAOYSA-O
VRLHMBJPLVZPJO-UHFFFAOYSA-N,O=c1[nH]c2ccccc2c2c1CC=CN2,3,12,2,1,0,VRLHMBJPLVZPJO-UHFFFAOYSA-N
"2,5,6,11b-tetrahydro-1H-pyrrolo[1,2-d][1,4]benzothiazepin-3-one",O=C1CCC2c3ccccc3SCCN12,3,12,1,1,1,2_5_6_11b-tetrahydro-1h-pyrrolo-1_2-d--1_4-benzothiazepin-3-one
"13,14-dioxatetracyclo[BLAH.BLAH.BLAH.BLAH.BLAH]tetradec-7(11)-ene",C1=C2CC3CCCC4OC34CC2OC1,4,12,0,2,0,13_14-dioxatetracyclo-blah.blah.blah.blah.blah-tetradec-7-11--ene
"furo[2,3-g]quinoline",c1cnc2cc3ccoc3cc2c1,3,11,1,1,0,furo-2_3-g-quinoline
"1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-b]pyrrole",C1CC2CCNC2N1,2,6,2,0,0,1_2_3_3a_4_5_6_6a-octahydropyrrolo-2_3-b-pyrrole
"7,10-dihydropyrido[1,2]pyrimido[4,5-b][1,2,4]triazin-5-one",O=c1nc2n(c3ncccc13)CC=NN2,3,9,5,1,0,7_10-dihydropyrido-1_2-pyrimido-4_5-b--1_2_4-triazin-5-one
"14,15-dioxatetracyclo[BLAH.BLAH.BLAH.BLAH.BLAH]tetradeca-1,6-dien-12-one",O=C1c2occc2CC2CC3OC3CC12,4,12,0,3,0,14_15-dioxatetracyclo-blah.blah.blah.blah.blah-tetradeca-1_6-dien-12-one
"2-oxo-2$l^{6}-thia-3,5,7,9-tetrazabicyclo[4.3.0]nona-1,5,7-trien-4-one",O=C1N=c2nc[nH]c2=[SH](=O)N1,2,4,4,2,1,2-oxo-2$l^{6}-thia-3_5_7_9-tetrazabicyclo-4.3.0-nona-1_5_7-trien-4-one
"spiro[4H-oxazole-5,4'-chromane]",C1=NCC2(CCOc3ccccc32)O1,3,11,1,2,0,spiro-4h-oxazole-5_4--chromane-
cyclopenta[b]indole,C1=CC2=Nc3ccccc3C2=C1,3,11,1,0,0,cyclopenta-b-indole
"1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one",O=C1c2cc[nH]c2CC2CCNCC12,3,11,2,1,0,1_4a_5_6_7_8_8a_9-octahydropyrrolo-2_3-g-isoquinolin-4-one
"7,8,9-trioxatricyclo[BLAH.BLAH.BLAH.BLAH]non-1-ene",C1=CC2OC2OC2OC12,3,6,0,3,0,7_8_9-trioxatricyclo-blah.blah.blah.blah-non-1-ene
"2,3,4,4a,5,6,7,8a-octahydro-[1,4]oxazino[2,3-b][1,4]oxazine",C1COC2OCCNC2N1,2,6,2,2,0,2_3_4_4a_5_6_7_8a-octahydro--1_4-oxazino-2_3-b--1_4-oxazine
"2-thioxo-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b]oxazol-7-one",O=C1c2cscc2C2NC(=S)OC12,3,8,1,2,2,2-thioxo-3a_7a-dihydro-3h-thieno-1_2-cyclopenta-3_5-b-oxazol-7-one
"8,10-diazabicyclo[4.2.2]dec-3-ene-7,9-dione",O=C1NC2CC=CCC1NC2=O,3,8,2,2,0,8_10-diazabicyclo-4.2.2-dec-3-ene-7_9-dione
"5,7-dihydrofuro[BLAH]pyrazolo[BLAH]pyrimidine",c1cc2nc3c(cn2n1)COC3,3,8,3,1,0,5_7-dihydrofuro-blah-pyrazolo-blah-pyrimidine
"1,7-dihydro-1,8-naphthyridine",C1=CNC2=NCC=CC2=C1,2,8,2,0,0,1_7-dihydro-1_8-naphthyridine
"2-thioxo-3a,7a-dihydro-1H-thieno[1,2]cyclopenta[3,5-b]oxazol-7-one",O=C1c2cscc2C2OC(=S)NC12,3,8,1,2,2,2-thioxo-3a_7a-dihydro-1h-thieno-1_2-cyclopenta-3_5-b-oxazol-7-one
"bicyclo[4.2.0]octa-1,5-diene-3,4-dione",O=C1C=C2CCC2=CC1=O,2,8,0,2,0,bicyclo-4.2.0-octa-1_5-diene-3_4-dione
"spiro[4H-oxazole-5,2'-indane]",C1=NCC2(Cc3ccccc3C2)O1,3,11,1,1,0,spiro-4h-oxazole-5_2--indane-
"8,10-diazabicyclo[4.2.2]decane-7,9-dione",O=C1NC2CCCCC1NC2=O,3,8,2,2,0,8_10-diazabicyclo-4.2.2-decane-7_9-dione
"4,4a,5,6-tetrahydro-1aH-oxireno[2,3-d]isochromen-2-one",O=C1OCC2CCC=CC23OC13,3,9,0,3,0,4_4a_5_6-tetrahydro-1ah-oxireno-2_3-d-isochromen-2-one
"7-thioxo-6H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",O=c1cnnc2sc(=S)[nH]n12,2,4,4,1,2,7-thioxo-6h--1_3_4-thiadiazolo-2_3-c--1_2_4-triazin-4-one
"14,15-dioxatricyclo[BLAH.BLAH.BLAH.BLAH]tetradeca-5,7(11)-dien-12-one",O=C1C=C2CCC3CCC(C=CC2O1)O3,3,12,0,3,0,14_15-dioxatricyclo-blah.blah.blah.blah-tetradeca-5_7-11--dien-12-one
"1,3-oxathiolane 3-oxide",O=S1CCOC1,1,3,0,2,1,1_3-oxathiolane-3-oxide
"1,8-dioxa-3-azaspiro[4.5]dec-2-ene",C1=NCC2(CCOCC2)O1,2,7,1,2,0,1_8-dioxa-3-azaspiro-4.5-dec-2-ene
"10-methylene-4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophene",C=C1c2ccccc2CCc2sccc21,3,14,0,0,1,10-methylene-4_5-dihydrobenzo-1_2-cyclohepta-2_4-b-thiophene
"3,3a,4,5,5a,6,9,10,10a,10b-decahydrocyclohepta[e]indene",C1=CCC2CCC3CC=CC3C2CC1,3,14,0,0,0,3_3a_4_5_5a_6_9_10_10a_10b-decahydrocyclohepta-e-indene
"14,15-dioxatricyclo[BLAH.BLAH.BLAH.BLAH]tetradeca-5(9),6(11),7(10)-trien-12-one",O=C1C=C2CCCC3=CCC(C=C2O1)O3,3,12,0,3,0,14_15-dioxatricyclo-blah.blah.blah.blah-tetradeca-5-9-_6-11-_7-10--trien-12-one
"imidazo[4,5-h]quinazolin-6-one",O=C1N=CN=c2c1ccc1c2=NC=N1,3,9,4,1,0,imidazo-4_5-h-quinazolin-6-one
"6,7-dihydro-1H-pyrrolo[2,3-b]pyridine",C1=Cc2cc[nH]c2NC1,2,7,2,0,0,6_7-dihydro-1h-pyrrolo-2_3-b-pyridine
"1-oxa-3,9-diazaspiro[4.6]undec-2-ene",C1=NCC2(CCCNCC2)O1,2,8,2,1,0,1-oxa-3_9-diazaspiro-4.6-undec-2-ene
"4,5,5a,6,9,10,10a,10b-octahydro-3aH-cyclohepta[e]inden-3-one",O=C1C=CC2C1CCC1CC=CCCC12,3,14,0,1,0,4_5_5a_6_9_10_10a_10b-octahydro-3ah-cyclohepta-e-inden-3-one
"14,15-dioxatricyclo[BLAH.BLAH.BLAH.BLAH]tetradec-7(11)-en-12-one",O=C1C=C2CCCCCCC3OC3C2O1,3,12,0,3,0,14_15-dioxatricyclo-blah.blah.blah.blah-tetradec-7-11--en-12-one
"1,7-dioxa-3-azaspiro[4.4]non-2-ene",C1=NCC2(CCOC2)O1,2,6,1,2,0,1_7-dioxa-3-azaspiro-4.4-non-2-ene
CKRLXIDKVSHTLB-UHFFFAOYSA-N,c1ccc2c(c1)ccc1ccc3c(c12)O3,4,14,0,1,0,CKRLXIDKVSHTLB-UHFFFAOYSA-N
"14-oxatetracyclo[BLAH.BLAH.BLAH.BLAH.BLAH]dodecane-10,11-dione",O=C1CCC(=O)C2C3CC(C4OC34)C12,4,11,0,3,0,14-oxatetracyclo-blah.blah.blah.blah.blah-dodecane-10_11-dione
"9-methylene-10,11,12-triazatricyclo[BLAH.BLAH.BLAH.BLAH]undec-3-ene-5,6-dione",C=C1CC2C=CC1n1c(=O)[nH]c(=O)n12,4,9,3,2,0,9-methylene-10_11_12-triazatricyclo-blah.blah.blah.blah-undec-3-ene-5_6-dione
"1H-pyrazolo[BLAH]pyrimido[BLAH][1,2,4]triazine-2-thione",S=c1ncc2nnc3ccnn3c2[nH]1,3,7,6,0,1,1h-pyrazolo-blah-pyrimido-blah--1_2_4-triazine-2-thione
"7-azaspiro[3.5]nonane-1,3-dione",O=C1CC(=O)C12CCNCC2,2,8,1,2,0,7-azaspiro-3.5-nonane-1_3-dione
"12,13-diazatricyclo[BLAH.BLAH.BLAH.BLAH]dodeca-1(3),2(6),4(8),7(9)-tetraen-10-imine",N=C1NCc2c[nH]c3cccc1c23,3,10,3,0,0,12_13-diazatricyclo-blah.blah.blah.blah-dodeca-1-3-_2-6-_4-8-_7-9--tetraen-10-imine
"1-oxa-3,7-diazaspiro[4.4]non-2-ene",C1=NCC2(CCNC2)O1,2,6,2,1,0,1-oxa-3_7-diazaspiro-4.4-non-2-ene
"1,2,3,4,4a,5,8,8a-octahydronaphthalene",C1=CCC2CCCCC2C1,2,10,0,0,0,1_2_3_4_4a_5_8_8a-octahydronaphthalene
6-methylene-11-oxabicyclo[8.1.0]undecan-7-one,C=C1CCCCC2OC2CCC1=O,2,11,0,2,0,6-methylene-11-oxabicyclo-8.1.0-undecan-7-one
FPUBPIJWWUKQJY-UHFFFAOYSA-N,O=C1NC2(Nc3c1sc1ncccc31)C(=O)Nc1ccccc12,5,16,4,2,1,FPUBPIJWWUKQJY-UHFFFAOYSA-N
"spiro[1H-pyrazole-4,6'-3-azabicyclo[3.1.0]hex-3-ene]-5-one",O=C1NN=CC12C1C=NCC12,3,7,3,1,0,spiro-1h-pyrazole-4_6--3-azabicyclo-3.1.0-hex-3-ene--5-one
"6H-pyrazolo[4,3-d]isothiazole",c1n[nH]c2sncc12,2,4,3,0,1,6h-pyrazolo-4_3-d-isothiazole
"14,15-dioxatetracyclo[BLAH.BLAH.BLAH.BLAH.BLAH]tetradec-6(10)-en-11-one",O=C1C=C2CC3CCCC34OC4CC2O1,4,12,0,3,0,14_15-dioxatetracyclo-blah.blah.blah.blah.blah-tetradec-6-10--en-11-one
UOORPSZORRGXMY-UHFFFAOYSA-N,O=C1NC2(CCNCC2)Nc2c1sc1ncccc21,4,13,4,1,1,UOORPSZORRGXMY-UHFFFAOYSA-N
"1,9-dioxa-3-azaspiro[4.6]undec-2-ene",C1=NCC2(CCCOCC2)O1,2,8,1,2,0,1_9-dioxa-3-azaspiro-4.6-undec-2-ene
"6,11-dihydro-5H-benzo[c][1]benzazepine",c1ccc2c(c1)CNc1ccccc1C2,3,14,1,0,0,6_11-dihydro-5h-benzo-c--1-benzazepine
LOTZGUJAOFTSDT-UHFFFAOYSA-N,C1=C=CSC=1,1,4,0,0,1,LOTZGUJAOFTSDT-UHFFFAOYSA-N
"5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one",O=C1CCN2N=CSC2=N1,2,5,3,1,1,5_6-dihydro--1_3_4-thiadiazolo-3_2-a-pyrimidin-7-one
"4,9,12-trioxa-2-azadispiro[4.2.4^{8}.2^{5}]tetradec-2-ene",C1=NCC2(CCC3(CC2)OCCO3)O1,3,10,1,3,0,4_9_12-trioxa-2-azadispiro-4.2.4^{8}.2^{5}-tetradec-2-ene
"2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium",c1cnc2[n+](c1)NCN2,2,5,4,0,0,2_3-dihydro-1h--1_2_4-triazolo-1_5-a-pyrimidin-8-ium
UMRVQEHPQLVJEO-UHFFFAOYSA-N,N=c1ccc2c([nH]1)CC(=O)NC2,2,8,3,1,0,UMRVQEHPQLVJEO-UHFFFAOYSA-N
"14,15-dioxatetracyclo[BLAH.BLAH.BLAH.BLAH.BLAH]tetradec-6(10)-en-11-one",O=C1C=C2CCCC3CCC4OC34C2O1,4,12,0,3,0,14_15-dioxatetracyclo-blah.blah.blah.blah.blah-tetradec-6-10--en-11-one
XLXOCTCDGBCQNN-UHFFFAOYSA-N,C1=Nc2c3cccnc3nn2CN1,3,8,5,0,0,XLXOCTCDGBCQNN-UHFFFAOYSA-N
"pyrido[4,3-f]quinoxaline",c1cc2c(ccc3nccnc32)cn1,3,11,3,0,0,pyrido-4_3-f-quinoxaline
NSPSQYUYBXIXSG-UHFFFAOYSA-N,C1CCCOCCCCNCC1,1,10,1,1,0,NSPSQYUYBXIXSG-UHFFFAOYSA-N
"7,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one",O=C1CC=Nn2cnnc2N1,2,5,5,1,0,7_9-dihydro--1_2_4-triazolo-4_3-b--1_2_4-triazepin-8-one
"3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one",O=C1CN=Cc2c[nH]cc2N1,2,7,3,1,0,3_7-dihydro-1h-pyrrolo-3_4-e--1_4-diazepin-2-one
"2,5-dimethylene-3,3a,6,6a-tetrahydropentalene-1,4-dione",C=C1CC2C(=O)C(=C)CC2C1=O,2,10,0,2,0,2_5-dimethylene-3_3a_6_6a-tetrahydropentalene-1_4-dione
"2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione",O=C1CCC2CCC(=O)N12,2,7,1,2,0,2_6_7_8-tetrahydro-1h-pyrrolizine-3_5-dione
"8,8-dioxo-1-oxa-8$l^{6}-thia-3-azaspiro[4.5]decan-2-one",O=C1NCC2(CCS(=O)(=O)CC2)O1,2,7,1,4,1,8_8-dioxo-1-oxa-8$l^{6}-thia-3-azaspiro-4.5-decan-2-one
JKGIKKPCPZOWIZ-UHFFFAOYSA-N,O=C1CC2(CCCC2)NC(=S)N1,2,8,2,1,1,JKGIKKPCPZOWIZ-UHFFFAOYSA-N
"spiro[3,4-dihydro-1,3-benzoxazine-2,1'-cyclohexane]",c1ccc2c(c1)CNC1(CCCCC1)O2,3,13,1,1,0,spiro-3_4-dihydro-1_3-benzoxazine-2_1--cyclohexane-
SUFIKLJXQAMOQC-UHFFFAOYSA-N,C1#CCNCCCNC1,1,7,2,0,0,SUFIKLJXQAMOQC-UHFFFAOYSA-N
"3,4-dihydrobenzo[g]isochromen-9-one",O=C1C=CC=c2cc3c(cc21)=COCC3,3,13,0,2,0,3_4-dihydrobenzo-g-isochromen-9-one
"4,5,6,8-tetrahydropyrazolo[1,2]cyclohepta[3,4-c]thiazole",c1nc2c(s1)CCCc1n[nH]cc1-2,3,9,3,0,1,4_5_6_8-tetrahydropyrazolo-1_2-cyclohepta-3_4-c-thiazole
PVQFFMPYOXBGMM-UHFFFAOYSA-N,O=C1OCc2c1ccc1c2CCOC1,3,11,0,3,0,PVQFFMPYOXBGMM-UHFFFAOYSA-N
"5,6,6a,7,8,9,10,10a-octahydropyrimido[4,5-c][2,6]naphthyridine",c1ncc2c(n1)NCC1CCNCC21,3,10,4,0,0,5_6_6a_7_8_9_10_10a-octahydropyrimido-4_5-c--2_6-naphthyridine
"8-methylene-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione",C=C1COCC2=C1NC(=S)NC2,2,8,2,1,1,8-methylene-1_3_4_5-tetrahydropyrano-4_3-d-pyrimidine-2-thione
"furo[3,4-d]isoxazole",c1noc2cocc12,2,5,1,2,0,furo-3_4-d-isoxazole
"hexahydropyrimidine-4,6-dione",O=C1CC(=O)NCN1,1,4,2,2,0,hexahydropyrimidine-4_6-dione
"thieno[2,3-h]chromen-2-one",O=c1ccc2ccc3sccc3c2o1,3,11,0,2,1,thieno-2_3-h-chromen-2-one
WJFJECOBQUNYRJ-UHFFFAOYSA-N,O=S1(=O)CCS(=O)(=O)OCO1,1,3,0,6,2,WJFJECOBQUNYRJ-UHFFFAOYSA-N
12-oxatricyclo[BLAH.BLAH.BLAH.BLAH]dodec-7-ene,C1=CC2CC3(C1)CCCC3CO2,3,11,0,1,0,12-oxatricyclo-blah.blah.blah.blah-dodec-7-ene
"1,4,5,6-tetrahydro-1,4-benzodiazocine-2,3-dione",O=C1NCCc2ccccc2NC1=O,2,10,2,2,0,1_4_5_6-tetrahydro-1_4-benzodiazocine-2_3-dione
FRZJJVVOSBWABR-UHFFFAOYSA-N,O=C1NC2(Nc3ccccc31)C(=O)NC1C=CC=CC12,4,15,3,2,0,FRZJJVVOSBWABR-UHFFFAOYSA-N
"spiro[8-azabicyclo[3.2.1]octane-3,5'-oxazolidine]-2'-one",O=C1NCC2(CC3CCC(C2)N3)O1,3,9,2,2,0,spiro-8-azabicyclo-3.2.1-octane-3_5--oxazolidine--2--one
"6,7-dihydrocyclopenta[e][1,3]benzodioxol-8-one",O=C1CCc2ccc3c(c21)OCO3,3,10,0,3,0,6_7-dihydrocyclopenta-e--1_3-benzodioxol-8-one
"3-methylene-1H-1,4-benzodiazepine-2,5-dione",C=C1NC(=O)c2ccccc2NC1=O,2,10,2,2,0,3-methylene-1h-1_4-benzodiazepine-2_5-dione
"1,2,4a,5,6,7,8,8a-octahydrothiazolo[3,2-a]benzimidazole",C1CCC2C(C1)N=C1SCCN12,3,9,2,0,1,1_2_4a_5_6_7_8_8a-octahydrothiazolo-3_2-a-benzimidazole
ZBGMORRQGYFOOR-UHFFFAOYSA-N,O=C1NC2(CCNCC2)N2CCc3ccccc3C12,4,15,3,1,0,ZBGMORRQGYFOOR-UHFFFAOYSA-N
"6,7,8,9-tetrahydrobenzo[g]chromen-4-one",O=c1ccoc2cc3c(cc12)CCCC3,3,13,0,2,0,6_7_8_9-tetrahydrobenzo-g-chromen-4-one
"5,7,8,9-tetrahydrothiazolo[2,3-b]quinazoline-3,6-dione",O=C1CCCC2=C1CN1C(=O)CSC1=N2,3,10,2,2,1,5_7_8_9-tetrahydrothiazolo-2_3-b-quinazoline-3_6-dione
"1,7-dioxa-3-azaspiro[4.4]nonan-2-one",O=C1NCC2(CCOC2)O1,2,6,1,3,0,1_7-dioxa-3-azaspiro-4.4-nonan-2-one
8-azatricyclo[BLAH.BLAH.BLAH.BLAH]octan-7-one,O=C1NC2CC3C(C2)C13,4,7,1,1,0,8-azatricyclo-blah.blah.blah.blah-octan-7-one