product_smiles,product_name,heavy_atoms,score,fp
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3N=C[NH]C3=CC(=C4)F,AAB81548DC3B5FE6_AB6F08F0CECFF285_6038_UN,24,9.007703,00000000000000000000000000000000000000000010000000001000010000100100000000010101100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(C=C3)[NH]C=C4,0387A50155F84BE7_D26DB9B2FE58D83D_6038_UN,23,8.201276,00000000000000000000000000000000000000000000000000001000010000100100000000010000100100000011111111000100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3C=C[NH]C3=CC=C4,242B0C8EF8217A1C_99E2925F11955B9E_6038_UN,23,8.020536,00000000000000000000000000000000000000000000000000001000010000100100000000010000100100000011111111000100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=C(C=C3F)F)[NH]4,AD99998E62A1BE57_C006C71A52F295E9_6038_UN,25,8.26096,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3Cl)Cl)[NH]4,764D5072B2393ACE_0447E76AC64B9F2D_6038_UN,25,8.3183975,00000000000000000000000000000000000000000000000000001010010000100100000000010001100100010011111111000101110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CS3)[NH]4,9B46D145239193C9_AAFD150123851A12_6038_UN,22,8.360814,00000000000000000000000000000000000010000000000000001010010000100100000000010001110100001011111111000100110001110000011011101100000111000100001010011011111011111110110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3N=CC=NC3=CC(=C4)F,97296A0A32262BF5_3873921398A61AE7_6038_UN,25,8.054618,00000000000000000000000000000000000000000010000000001000010000100100000000010001100100010011111111100100110101110000011011101100000011100100001011011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3[NH]C=CC3=CC=C4,3E771A8BDD9D7BB8_4E545138F8F44E59_6038_UN,23,8.19242,00000000000000000000000000000000000000000000000000001100010000100100000000010000100100000011111111000100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=C(C=C3)F)[NH]4,01AF3C6D54598686_9FC02822D9E7A206_6038_UN,24,8.14781,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C[NH]C4=C3C=CC=N4,D6F558FDCAB37899_C357BA341BE27A41_6038_UN,23,8.286479,00000000000000000000000000000000000000100000000000001100010000100100000000010100100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3N=CC=CC3=CC(=C4)F,9BE545B62D2012EC_81D401E34CAF5CEB_6038_UN,25,8.135832,00000000000000000000000000000000000000000010000000001000010000100100000000010000100100010011111111100100110101110000011011101100000011100100001011011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C[NH]C4=C3C=C(C(=C4)Br)Br,FC251E74B80ACFBA_8DD9CEC736E9C3F4_6038_UN,25,8.386837,00000000000000000000000000000000000000000000001000001100010000100100000000010000100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C(=CC=C3F)F)[NH]4,19D4DA5A713ACC2C_FFA0A8E25D01C25C_6038_UN,25,8.252813,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(N=C3)[NH]C=N4,2671CA46BA537047_5FB27E53BB26AFC9_6038_UN,23,8.248574,00000000000000000000000000000000000000100000000000001000010000100100000000010101100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=NC=C3OCOC3=C4,6011685905CC54EB_50BD7B84A248010E_6038_UN,23,8.245676,00000000000000000000000000001000000000000000000000001000010000100100000010010001100100000011111111100100110001110100011011111100000011000110101010111011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3CC(=NO3)C4=CC=NC=C4,04FC38EB40884A40_A26D91B1D4583A1E_6038_UN,25,8.43426,00000000000000000000000010000000000000000000000000001000010000100100000110010010100100000011111111100010100001110000011111101100001011000100001010111011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3N=N[NH]C3=CC(=C4)F,CE1470762BAAD5F4_0299BB0BBF6B43EE_6038_UN,24,8.227808,00000000000000000000000000000000000000000010000000001000010000100100011000010101100100010011111111000100110101110000011011101100001111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C[NH]C4=C3N=CC=C4,56EF86E26A0F64F7_DEC0CFC7627D60C2_6038_UN,23,8.423832,00000000000000000000000000000000000000000000000000001100010000100100000000010001100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C(C=C3N=C[NH]C3=C4)F,C9B2171828EB31B0_65827D1C17AC61BE_6038_UN,24,8.599826,00000000000000000000000000000000000000000010000000001000010000100100000000010101100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3Br)F)[NH]4,1B7E8E9397944EA9_D9901F94FDA27C24_6038_UN,25,8.318394,00000000000000000000000000000000000000000010001000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3F)F)[NH]4,3F3B48A7FEC71B37_272D54B4E6B2E68B_6038_UN,25,8.318386,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C(C=C3N=N[NH]C3=C4)F,55A6A03D0B8CA70E_9F8BC8458880942C_6038_UN,24,8.1057,00000000000000000000000000000000000000000010000000001000010000100100011000010101100100010011111111000100110101110000011011101100001111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=C(C(=C3)Cl)Cl)[NH]4,E91D19EEBE1C2536_A828BEA29E98821C_6038_UN,25,8.399034,00000000000000000000000000000000000000000000000000001010010000100100000000010001100100010011111111000101110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(N=C3)[NH]C=C4,80F0EB3AC9CA5429_1F5CDEF05EF70619_6038_UN,23,8.797421,00000000000000000000000000000000000000100000000000001000010000100100000000010100100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3C=NC=CC3=CC(=C4)F,7B8C8AC3FE4EC79F_8A46EAF047CE6A95_6038_UN,25,8.026347,00000000000000000000000000000000000000000010000000001000010000100100000000010000100100010011111111100100110101110000011011101100000011100100001011011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C4C(=CN=C3)N=C[NH]4,9F031B8684701210_49B7D83EDC5E249F_6038_UN,23,8.259703,00000000000000000000000000000000000000000000000000001100010000100100000000010101100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=NC=C3OCCOC3=C4,FEEC1BB3D439EAA7_EEEEF621693A14D4_6038_UN,24,8.103239,00000000000000000000000000000000000000000000000000001000010000100100000010010001100100000011111111100100110001110100011011101100000011000110101011111011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C(C4=C(C=C3)[NH]C=N4)F,600E62260B440B32_9D5BA7C761572A84_6038_UN,24,8.329777,00000000000000000000000000000000000000000010000000001000010000100100000000010101100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C(=C(C=C3)Br)F)[NH]4,8561095017B8A9C9_CA8FA9828CBDAC6A_6038_UN,25,8.3430395,00000000000000000000000000000000000000000010001000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C(=C(C=C3)Cl)F)[NH]4,21F8855C4A2DBFCC_51B0163A58FD46FD_6038_UN,25,8.34304,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000101110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3OCC[N]4C=CN=C34,A4C8B0198751C5A1_979CF17397D3823D_6038_UN,23,8.5920925,00000000000000000000000000000000000000100000000000001000010000100100000010010101100101000011111111101100110001110000011011101100000011000110001010111011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(N=C3)C=C[NH]4,7EE4739AEE314886_222B62C800BD4E1B_6038_UN,23,8.232409,00000000000000000000000000000000000000000000000000001000010000100100000000010001100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3C=C[NH]C3=CN=C4,ADD29BED027D9B90_9953BF1FF065CABA_6038_UN,23,8.621077,00000000000000000000000000000000000000000000000000001000010000100100000000010001100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=C[NH]C4=C3C=NC=N4,0551CBD01719A873_E12A5A8FF95CC52B_6038_UN,23,8.292698,00000000000000000000000000000000000000100000000000001100010000100100000000010100100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3CC(=NO3)C4=NC=CC=C4,2D5FE3397CD6EE3E_7578519901599683_6038_UN,25,8.432095,00000000000000000000000010000000000000000000000000001000010000100100000110010011100100000011111111100010100001110000011111101100001011000100001010111011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(N=C3)[NH]N=C4,44A352E357712810_7B46EE4A4A51070D_6038_UN,23,8.113375,00000000000000000000000000000000000000100000000000001000010000100100010000010101100100000011111111100100110001110000011011101100001111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3F)Br)[NH]4,D4B1481C4288C94D_48404316CF5C8E3E_6038_UN,25,8.318386,00000000000000000000000000000000000000000010001000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=CC4=C(N=C3)C=N[NH]4,E4903BB92964A97D_E8F168D65565DD84_6038_UN,23,8.194597,00000000000000000000000000000000000000000000000000001000010000100100010000010001100100000011111111100100110001110000011011101100001111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3C4=C(CC3)C=N[NH]4,8B6D737DBA80D43B_FF692C78CFBBF184_6038_UN,22,8.050762,00000000000000000000000000000000000000000000000000001100010000100100010000010000100100000011111111000100110001110000011011101100001111000100001010011011111011111110110
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C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C3=NC=C4C(=C3)N=C[NH]4,7E14C8ABBC4F3D98_9D10CABD6631E51C_6038_UN,23,8.504398,00000000000000000000000000000000000000000000000000001000010000100100000000010101100100000011111111100100110001110000011011101100000111000100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3Cl)F)[NH]4,3E7058BCF7441F6D_A93EF388ED34466F_6038_UN,25,8.318379,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000101110101110000011011101100000111100100001010011011111011111111110
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C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=C3[NH]C=CC3=CC(=C4)F,DC55A4C1BB0F02C3_AC41D3D7D8A6797F_6038_UN,24,8.7883215,00000000000000000000000000000000000000000010000000001100010000100100000000010000100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C(=CC(=C3)F)F)[NH]4,581360FFC7D4F2B7_689014446D6FD07E_6038_UN,25,8.24252,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=NC3=C(C=C(C(=C3)Br)F)[NH]4,C40DE61380F53B06_38B680DD507C52A8_6038_UN,25,8.027125,00000000000000000000000000000000000000100010001000001010010000100100000000010101100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=CC3=C(C=CC(=C3)F)[NH]4,71499C5AF219B018_303A0B2CBA83A967_6038_UN,24,8.036736,00000000000000000000000000000000000000000010000000001010010000100100000000010001100100010011111111000100110101110000011011101100000111100100001010011011111011111111110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C(F)[N]3C=CN=C3,9EE78E86C8BE831A_CD1F330AB5DFABE3_6038_UN,21,8.359107,00000000000000000000000000000000000000000010000000001000010000100100000000010101100101000011111111000000100101110000011011101100000011100100001010011011111011111110110
C[N]1C(=CC=N1)[C@H]2[C@@H](CCO2)NC(=O)C4=NC=C3[NH]N=CC3=C4,9C82C65646CDD25D_9D4D01F3CB207D10_6038_UN,23,8.0316105,00000000000000000000000000000000000000000000000000001000010000100100010000010001100100000011111111100100110001110000011011101100001111000100001010011011111011111111110
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CN3C(C(COC1=C(OC)C=C(C=C1Br)CNC2=C[N](N=C2)C)CC3=O)C4=CC=CS4,FE63676DD5241FB8_ACA29929D502FF00_6035_UN,31,8.16198,00000000000000000000000000000000000010000000001000001000000000100100000010010001111101011000111011001000000111110100110011101111000011110110011110101111111111111111110
CN3C(C(COC2=C(C=C(CNC1=C[N](CC)N=C1)C=C2Br)OC)CC3=O)C4=CC=CS4,F2E4B6483D2233CC_10D6B4DC75E46422_6035_UN,32,8.491509,00000000000000000000000000000000000010000000001000001000000000100100000010010001111101011001111011001000000111110110110011101111000011110110011110101111111111111111110
CN3C(C(COC1=CC=CC(=C1B2OC(C)(C)C(O2)(C)C)OC(F)(F)F)CC3=O)C4=CC=CS4,D354CBD5C5576679_EB0F7B81A068AA6D_6035_UN,34,8.029405,00000000000000000010000000000000000010000010100000000000010000100010000010110000010101001100110011000010001111111100110011101111001010100100110110101110111111111111110
O(CC2=C(C=C1OCOC1=C2)Br)C3=CC5=C(C=C3)C(COCC4=CC=CC=C4)NCC5,F45077B95823D732_D3A35DAD631A4849_6035_UN,31,8.321347,00000000000000000000000000001000000000000000001000000000010000000000000010000000001100110001000110101100110101010100001011010111110000100110100111110011110111110111110
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CON(C)CC(OC1=CC=CC(=C1)CNC2=CC3=C(C=C2)OC(=N3)C)C[N]4C=C(N)C=N4,7AE67657752AD139_2D002066E77CA30A_6035_UN,32,8.012858,00000000000001000000000010000000000000000000000000001000010000000100000100010001101110100101111111001110010010110101110011101111001111010110011101101101110111111111110
CON(C)CC(OC1=C(C(OCC)=O)C=NC2=C1C=CC(=C2F)F)C[N]3C=C(N)C=N3,1E91BAFB747037EB_3B2C085D125A6AD0_6035_UN,31,8.1849,00000000000001000000000010000000000000000010000000001000000000000100000100010001100110110101011111101110010111010111100011111111001011110110111111101111111111111111110
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CON(C)CC(OC1=NC4=C(C(=C1)C3=NC2=C(C=CC=C2)S3)C=CC=C4)C[N]5C=C(N)C=N5,50171155D9B6721D_E40B8D0FD736E0E6_6035_UN,33,8.169685,00000000000001000000000010000000000010000000000100001000000000100100000100010001110110101101111111101110010010110101110011101111001011010110001101001101110111111111110
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